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/data/BL.sdf

http://github.com/rajarshi/cdkr
Unknown | 11899 lines | 11442 code | 457 blank | 0 comment | 0 complexity | bf979727543ef908d028d17ed2448f00 MD5 | raw file
    

  1. Mar_04
    2. 

  2.   MOE2005           2D
    3. 

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    177. 

  177. M  END
    178. 

  178. >  <ID>
    179. 

  179. Mar_04
    180. 

  180. 

  181. >  <Cathepsin L nM>
    182. 

  182. 39000
    183. 

  183. 

  184. >  <Cathepsin B nM>
    185. 

  185. 1e+06
    186. 

  186. 

  187. > <FP:MACCS>
    188. 

  188. 23 54 74 75 79 80 83 85 86 90 91 92 95 96 97 100 104 106 109 110 111 115 117 121 122 123 125 126 128 129 131 132 133 136 137 138 140 141 142 143 145 146 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    189. 

  189. 

  190. $$$$
    191. 

  191. Tri_06
    192. 

  192.   MOE2005           2D
    193. 

  193. 

  194.  43 43  0  0  1  0  0  0  0  0999 V2000
    195. 

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  223.   -11.2490    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    224. 

  224.   -10.2100    1.9040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    225. 

  225.   -11.8490    2.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    226. 

  226.   -12.2890    0.7050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    227. 

  227.    -9.2090   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    228. 

  228.    -6.7510   -1.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    229. 

  229.    -8.9990    2.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    230. 

  230.    -8.2480    3.9010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    231. 

  231.    -7.0480    3.9010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    232. 

  232.    -8.9970    5.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    233. 

  233.    -9.9170    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    234. 

  234.    -9.9160    5.9720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    235. 

  235.    -8.2470    6.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    236. 

  236.    -7.4960    7.7980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    237. 

  237.   -10.4990    2.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    238. 

  238.   1 14  2  0  0  0  0
    239. 

  239.   1  3  1  0  0  0  0
    240. 

  240.   1  2  1  0  0  0  0
    241. 

  241.   3  4  1  0  0  0  0
    242. 

  242.   3  5  2  0  0  0  0
    243. 

  243.   5  7  1  0  0  0  0
    244. 

  244.   5  6  1  0  0  0  0
    245. 

  245.   7  9  2  0  0  0  0
    246. 

  246.   7  8  1  0  0  0  0
    247. 

  247.   9 14  1  0  0  0  0
    248. 

  248.   9 10  1  0  0  0  0
    249. 

  249.  10 12  1  0  0  0  0
    250. 

  250.  10 11  1  0  0  0  0
    251. 

  251.  10 13  1  0  0  0  0
    252. 

  252.  13 16  1  0  0  0  0
    253. 

  253.  14 15  1  0  0  0  0
    254. 

  254.  16 17  1  0  0  0  0
    255. 

  255.  16 34  2  0  0  0  0
    256. 

  256.  17 18  1  0  0  0  0
    257. 

  257.  17 19  1  0  0  0  0
    258. 

  258.  19 21  1  0  0  0  0
    259. 

  259.  19 20  1  0  0  0  0
    260. 

  260.  19 35  1  0  0  0  0
    261. 

  261.  21 23  1  0  0  0  0
    262. 

  262.  21 22  1  0  0  0  0
    263. 

  263.  21 33  1  0  0  0  0
    264. 

  264.  23 25  1  0  0  0  0
    265. 

  265.  23 24  1  0  0  0  0
    266. 

  266.  23 29  1  0  0  0  0
    267. 

  267.  25 27  1  0  0  0  0
    268. 

  268.  25 26  1  0  0  0  0
    269. 

  269.  25 28  1  0  0  0  0
    270. 

  270.  29 31  1  0  0  0  0
    271. 

  271.  29 30  1  0  0  0  0
    272. 

  272.  29 32  1  0  0  0  0
    273. 

  273.  35 36  1  0  0  0  0
    274. 

  274.  35 43  2  0  0  0  0
    275. 

  275.  36 37  1  0  0  0  0
    276. 

  276.  36 38  1  0  0  0  0
    277. 

  277.  38 40  1  0  0  0  0
    278. 

  278.  38 39  1  0  0  0  0
    279. 

  279.  38 41  1  0  0  0  0
    280. 

  280.  41 42  3  0  0  0  0
    281. 

  281. M  END
    282. 

  282. >  <ID>
    283. 

  283. Tri_06
    284. 

  284. 

  285. >  <Cathepsin L nM>
    286. 

  286. 150000
    287. 

  287. 

  288. >  <Cathepsin B nM>
    289. 

  289. 150000
    290. 

  290. 

  291. > <FP:MACCS>
    292. 

  292. 23 41 54 74 79 82 90 91 92 95 100 104 106 109 110 111 115 117 123 126 128 131 136 138 142 146 149 151 153 154 155 156 157 158 159 160 161 162 163 164 165
    293. 

  293. 

  294. $$$$
    295. 

  295. Tri_08
    296. 

  296.   MOE2005           2D
    297. 

  297. 

  298.  46 46  0  0  1  0  0  0  0  0999 V2000
    299. 

  299.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    300. 

  300.    -0.5910    1.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    301. 

  301.    -0.7610   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    302. 

  302.    -1.9610   -1.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    303. 

  303.    -0.0220   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    304. 

  304.    -0.6310   -3.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    305. 

  305.     1.4780   -2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    306. 

  306.     2.0690   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    307. 

  307.     2.2390   -1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    308. 

  308.     3.7390   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    309. 

  309.     3.5200   -2.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    310. 

  310.     4.8630   -1.7510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    311. 

  311.     4.5000   -0.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    312. 

  312.     1.5000   -0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    313. 

  313.     2.1090    1.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    314. 

  314.     6.0000   -0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    315. 

  315.     6.7610    1.2410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    316. 

  316.     6.1700    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    317. 

  317.     8.2610    1.2280    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    318. 

  318.     8.2480   -0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    319. 

  319.     7.0480   -0.2620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    320. 

  320.     8.2380   -1.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    321. 

  321.     9.4480   -0.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    322. 

  322.     9.7610    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    323. 

  323.     9.5630    2.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    324. 

  324.    10.5000   -0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    325. 

  325.    11.1000   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    326. 

  326.    12.0000   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    327. 

  327.    11.9890   -1.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    328. 

  328.    13.2000   -0.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    329. 

  329.    12.0100    1.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    330. 

  330.     9.7380   -1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    331. 

  331.     8.7040   -0.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    332. 

  332.     9.1300   -2.4170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    333. 

  333.    10.7720   -1.9920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    334. 

  334.    10.8920    1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    335. 

  335.     6.7390   -1.3570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    336. 

  336.     8.2740    2.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    337. 

  337.     6.9810    3.4890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    338. 

  338.     5.9370    2.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    339. 

  339.     6.9940    4.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    340. 

  340.     8.1740    4.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    341. 

  341.     7.4140    6.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    342. 

  342.     5.7020    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    343. 

  343.     4.4090    6.5110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    344. 

  344.     9.5790    3.4670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    345. 

  345.   1 14  2  0  0  0  0
    346. 

  346.   1  3  1  0  0  0  0
    347. 

  347.   1  2  1  0  0  0  0
    348. 

  348.   3  4  1  0  0  0  0
    349. 

  349.   3  5  2  0  0  0  0
    350. 

  350.   5  7  1  0  0  0  0
    351. 

  351.   5  6  1  0  0  0  0
    352. 

  352.   7  9  2  0  0  0  0
    353. 

  353.   7  8  1  0  0  0  0
    354. 

  354.   9 14  1  0  0  0  0
    355. 

  355.   9 10  1  0  0  0  0
    356. 

  356.  10 12  1  0  0  0  0
    357. 

  357.  10 11  1  0  0  0  0
    358. 

  358.  10 13  1  0  0  0  0
    359. 

  359.  13 16  1  0  0  0  0
    360. 

  360.  14 15  1  0  0  0  0
    361. 

  361.  16 17  1  0  0  0  0
    362. 

  362.  16 37  2  0  0  0  0
    363. 

  363.  17 18  1  0  0  0  0
    364. 

  364.  17 19  1  0  0  0  0
    365. 

  365.  19 24  1  0  0  0  0
    366. 

  366.  19 20  1  0  0  0  0
    367. 

  367.  19 38  1  0  0  0  0
    368. 

  368.  20 22  1  0  0  0  0
    369. 

  369.  20 21  1  0  0  0  0
    370. 

  370.  20 23  1  0  0  0  0
    371. 

  371.  24 26  1  0  0  0  0
    372. 

  372.  24 25  1  0  0  0  0
    373. 

  373.  24 36  1  0  0  0  0
    374. 

  374.  26 28  1  0  0  0  0
    375. 

  375.  26 27  1  0  0  0  0
    376. 

  376.  26 32  1  0  0  0  0
    377. 

  377.  28 30  1  0  0  0  0
    378. 

  378.  28 29  1  0  0  0  0
    379. 

  379.  28 31  1  0  0  0  0
    380. 

  380.  32 34  1  0  0  0  0
    381. 

  381.  32 33  1  0  0  0  0
    382. 

  382.  32 35  1  0  0  0  0
    383. 

  383.  38 39  1  0  0  0  0
    384. 

  384.  38 46  2  0  0  0  0
    385. 

  385.  39 40  1  0  0  0  0
    386. 

  386.  39 41  1  0  0  0  0
    387. 

  387.  41 43  1  0  0  0  0
    388. 

  388.  41 42  1  0  0  0  0
    389. 

  389.  41 44  1  0  0  0  0
    390. 

  390.  44 45  3  0  0  0  0
    391. 

  391. M  END
    392. 

  392. >  <ID>
    393. 

  393. Tri_08
    394. 

  394. 

  395. >  <Cathepsin L nM>
    396. 

  396. 150000
    397. 

  397. 

  398. >  <Cathepsin B nM>
    399. 

  399. 150000
    400. 

  400. 

  401. > <FP:MACCS>
    402. 

  402. 23 41 54 66 74 79 82 90 91 92 95 100 104 106 108 109 110 111 112 115 117 123 126 128 131 136 138 141 142 146 149 151 153 154 155 156 157 158 159 160 161 162 163 164 165
    403. 

  403. 

  404. $$$$
    405. 

  405. Tri_09
    406. 

  406.   MOE2005           2D
    407. 

  407. 

  408.  43 43  0  0  1  0  0  0  0  0999 V2000
    409. 

  409.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    410. 

  410.    -0.5980   -1.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    411. 

  411.    -0.7520    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    412. 

  412.    -1.9520    1.2960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    413. 

  413.    -0.0040    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    414. 

  414.    -0.6060    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    415. 

  415.     1.4960    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    416. 

  416.     2.0940    3.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    417. 

  417.     2.2480    1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    418. 

  418.     3.7480    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    419. 

  419.     3.5380    2.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    420. 

  420.     4.8750    1.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    421. 

  421.     4.5000    0.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    422. 

  422.     1.5000    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    423. 

  423.     2.1020   -1.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    424. 

  424.     6.0000    0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    425. 

  425.     6.7520   -1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    426. 

  426.     6.1540   -2.3290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    427. 

  427.     8.2520   -1.2860    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    428. 

  428.     7.6520   -2.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    429. 

  429.     9.0040   -2.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    430. 

  430.    10.5040   -2.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    431. 

  431.    10.5060   -3.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    432. 

  432.    11.7040   -2.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    433. 

  433.    10.5020   -1.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    434. 

  434.     9.7560   -3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    435. 

  435.     8.7180   -4.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    436. 

  436.    10.3580   -4.9200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    437. 

  437.    10.7940   -3.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    438. 

  438.     8.2560   -3.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    439. 

  439.     7.2160   -3.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    440. 

  440.     7.6580   -4.9240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    441. 

  441.     9.2960   -4.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    442. 

  442.     6.7480    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    443. 

  443.     9.0000    0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    444. 

  444.    10.5000    0.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    445. 

  445.    11.1020   -1.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    446. 

  446.    11.2480    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    447. 

  447.    10.1200    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    448. 

  448.    11.4540    2.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    449. 

  449.    12.7480    1.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    450. 

  450.    14.2480    1.3210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    451. 

  451.     8.2480    1.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    452. 

  452.   1 14  2  0  0  0  0
    453. 

  453.   1  3  1  0  0  0  0
    454. 

  454.   1  2  1  0  0  0  0
    455. 

  455.   3  4  1  0  0  0  0
    456. 

  456.   3  5  2  0  0  0  0
    457. 

  457.   5  7  1  0  0  0  0
    458. 

  458.   5  6  1  0  0  0  0
    459. 

  459.   7  9  2  0  0  0  0
    460. 

  460.   7  8  1  0  0  0  0
    461. 

  461.   9 14  1  0  0  0  0
    462. 

  462.   9 10  1  0  0  0  0
    463. 

  463.  10 12  1  0  0  0  0
    464. 

  464.  10 11  1  0  0  0  0
    465. 

  465.  10 13  1  0  0  0  0
    466. 

  466.  13 16  1  0  0  0  0
    467. 

  467.  14 15  1  0  0  0  0
    468. 

  468.  16 17  1  0  0  0  0
    469. 

  469.  16 34  2  0  0  0  0
    470. 

  470.  17 18  1  0  0  0  0
    471. 

  471.  17 19  1  0  0  0  0
    472. 

  472.  19 21  1  0  0  0  0
    473. 

  473.  19 20  1  0  0  0  0
    474. 

  474.  19 35  1  0  0  0  0
    475. 

  475.  21 26  1  0  0  0  0
    476. 

  476.  21 22  1  0  0  0  0
    477. 

  477.  21 30  1  0  0  0  0
    478. 

  478.  22 24  1  0  0  0  0
    479. 

  479.  22 23  1  0  0  0  0
    480. 

  480.  22 25  1  0  0  0  0
    481. 

  481.  26 28  1  0  0  0  0
    482. 

  482.  26 27  1  0  0  0  0
    483. 

  483.  26 29  1  0  0  0  0
    484. 

  484.  30 32  1  0  0  0  0
    485. 

  485.  30 31  1  0  0  0  0
    486. 

  486.  30 33  1  0  0  0  0
    487. 

  487.  35 36  1  0  0  0  0
    488. 

  488.  35 43  2  0  0  0  0
    489. 

  489.  36 37  1  0  0  0  0
    490. 

  490.  36 38  1  0  0  0  0
    491. 

  491.  38 40  1  0  0  0  0
    492. 

  492.  38 39  1  0  0  0  0
    493. 

  493.  38 41  1  0  0  0  0
    494. 

  494.  41 42  3  0  0  0  0
    495. 

  495. M  END
    496. 

  496. >  <ID>
    497. 

  497. Tri_09
    498. 

  498. 

  499. >  <Cathepsin L nM>
    500. 

  500. 150000
    501. 

  501. 

  502. >  <Cathepsin B nM>
    503. 

  503. 150000
    504. 

  504. 

  505. > <FP:MACCS>
    506. 

  506. 23 41 54 66 74 79 82 90 91 92 95 100 106 109 110 111 112 117 123 126 131 136 138 141 142 146 149 151 153 154 155 156 157 158 159 160 161 162 163 164 165
    507. 

  507. 

  508. $$$$
    509. 

  509. Tri_02
    510. 

  510.   MOE2005           2D
    511. 

  511. 

  512.  73 76  0  0  1  0  0  0  0  0999 V2000
    513. 

  513.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    514. 

  514.     1.0350   -0.6070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    515. 

  515.     0.0110    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    516. 

  516.     1.0540    2.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    517. 

  517.    -1.2830    2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    518. 

  518.    -1.2750    3.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    519. 

  519.    -2.5870    1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    520. 

  520.    -3.6220    2.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    521. 

  521.    -2.5980    0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    522. 

  522.    -3.9020   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    523. 

  523.    -3.1380   -1.6470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    524. 

  524.    -4.6800   -1.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    525. 

  525.    -5.1960    0.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    526. 

  526.    -1.3040   -0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    527. 

  527.    -1.3130   -1.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    528. 

  528.    -6.5000   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    529. 

  529.    -7.7940    0.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    530. 

  530.    -8.8380   -0.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    531. 

  531.    -7.7840    1.5550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    532. 

  532.    -8.8230    0.9550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    533. 

  533.    -9.0770    2.3140    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    534. 

  534.    -8.0380    2.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    535. 

  535.   -10.3820    1.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    536. 

  536.    -9.0670    3.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    537. 

  537.    -7.8860    3.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    538. 

  538.    -8.6480    4.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    539. 

  539.   -10.3600    4.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    540. 

  540.   -10.7790    3.4480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    541. 

  541.   -11.5410    4.7900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    542. 

  542.   -10.3500    6.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    543. 

  543.    -9.1700    5.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    544. 

  544.    -9.9310    7.1980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    545. 

  545.   -11.6440    6.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    546. 

  546.   -11.0360    7.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    547. 

  547.   -12.6780    7.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    548. 

  548.   -12.2510    5.7970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    549. 

  549.    -6.5110   -2.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    550. 

  550.    -6.4790    2.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    551. 

  551.    -6.4690    3.7960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    552. 

  552.    -7.5040    4.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    553. 

  553.    -5.1640    4.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    554. 

  554.    -4.7620    3.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    555. 

  555.    -3.9810    4.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    556. 

  556.    -5.1540    6.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    557. 

  557.    -5.1430    7.5360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    558. 

  558.    -5.1860    1.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    559. 

  559.   -11.6750    2.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    560. 

  560.   -12.9800    1.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    561. 

  561.   -13.3820    2.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    562. 

  562.   -14.1630    1.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    563. 

  563.   -12.9900    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    564. 

  564.   -11.6650    3.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    565. 

  565.   -11.6960   -0.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    566. 

  566.   -10.6530   -0.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    567. 

  567.   -11.7070   -2.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    568. 

  568.   -10.6720   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    569. 

  569.   -13.0110   -2.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    570. 

  570.   -13.0200   -4.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    571. 

  571.   -14.3050   -2.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    572. 

  572.   -14.2940   -0.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    573. 

  573.   -15.6090   -2.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    574. 

  574.   -15.6200   -4.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    575. 

  575.   -16.9030   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    576. 

  576.   -16.8920   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    577. 

  577.   -15.5880    0.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    578. 

  578.   -18.2070   -2.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    579. 

  579.   -18.2160   -4.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    580. 

  580.   -19.5010   -2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    581. 

  581.   -20.5440   -2.7050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    582. 

  582.   -19.4900   -0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    583. 

  583.   -20.5250   -0.0050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    584. 

  584.   -18.1860    0.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    585. 

  585.   -18.1780    1.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    586. 

  586.   1 14  2  0  0  0  0
    587. 

  587.   1  3  1  0  0  0  0
    588. 

  588.   1  2  1  0  0  0  0
    589. 

  589.   3  4  1  0  0  0  0
    590. 

  590.   3  5  2  0  0  0  0
    591. 

  591.   5  7  1  0  0  0  0
    592. 

  592.   5  6  1  0  0  0  0
    593. 

  593.   7  9  2  0  0  0  0
    594. 

  594.   7  8  1  0  0  0  0
    595. 

  595.   9 14  1  0  0  0  0
    596. 

  596.   9 10  1  0  0  0  0
    597. 

  597.  10 12  1  0  0  0  0
    598. 

  598.  10 11  1  0  0  0  0
    599. 

  599.  10 13  1  0  0  0  0
    600. 

  600.  13 16  1  0  0  0  0
    601. 

  601.  14 15  1  0  0  0  0
    602. 

  602.  16 17  1  0  0  0  0
    603. 

  603.  16 37  2  0  0  0  0
    604. 

  604.  17 18  1  0  0  0  0
    605. 

  605.  17 19  1  0  0  0  0
    606. 

  606.  19 21  1  0  0  0  0
    607. 

  607.  19 20  1  0  0  0  0
    608. 

  608.  19 38  1  0  0  0  0
    609. 

  609.  21 23  1  0  0  0  0
    610. 

  610.  21 22  1  0  0  0  0
    611. 

  611.  21 24  1  0  0  0  0
    612. 

  612.  23 47  1  0  0  0  0
    613. 

  613.  24 26  1  0  0  0  0
    614. 

  614.  24 25  1  0  0  0  0
    615. 

  615.  24 27  1  0  0  0  0
    616. 

  616.  27 29  1  0  0  0  0
    617. 

  617.  27 28  1  0  0  0  0
    618. 

  618.  27 30  1  0  0  0  0
    619. 

  619.  30 32  1  0  0  0  0
    620. 

  620.  30 31  1  0  0  0  0
    621. 

  621.  30 33  1  0  0  0  0
    622. 

  622.  33 35  1  0  0  0  0
    623. 

  623.  33 34  1  0  0  0  0
    624. 

  624.  33 36  1  0  0  0  0
    625. 

  625.  38 39  1  0  0  0  0
    626. 

  626.  38 46  2  0  0  0  0
    627. 

  627.  39 40  1  0  0  0  0
    628. 

  628.  39 41  1  0  0  0  0
    629. 

  629.  41 43  1  0  0  0  0
    630. 

  630.  41 42  1  0  0  0  0
    631. 

  631.  41 44  1  0  0  0  0
    632. 

  632.  44 45  3  0  0  0  0
    633. 

  633.  47 48  1  0  0  0  0
    634. 

  634.  47 52  2  0  0  0  0
    635. 

  635.  48 50  1  0  0  0  0
    636. 

  636.  48 49  1  0  0  0  0
    637. 

  637.  48 51  1  0  0  0  0
    638. 

  638.  51 53  1  0  0  0  0
    639. 

  639.  51 60  2  0  0  0  0
    640. 

  640.  53 54  1  0  0  0  0
    641. 

  641.  53 55  2  0  0  0  0
    642. 

  642.  55 56  1  0  0  0  0
    643. 

  643.  55 57  1  0  0  0  0
    644. 

  644.  57 58  1  0  0  0  0
    645. 

  645.  57 59  2  0  0  0  0
    646. 

  646.  59 61  1  0  0  0  0
    647. 

  647.  59 60  1  0  0  0  0
    648. 

  648.  60 65  1  0  0  0  0
    649. 

  649.  61 62  2  0  0  0  0
    650. 

  650.  61 63  1  0  0  0  0
    651. 

  651.  63 64  1  0  0  0  0
    652. 

  652.  63 66  2  0  0  0  0
    653. 

  653.  64 65  1  0  0  0  0
    654. 

  654.  64 72  2  0  0  0  0
    655. 

  655.  66 67  1  0  0  0  0
    656. 

  656.  66 68  1  0  0  0  0
    657. 

  657.  68 70  2  0  0  0  0
    658. 

  658.  68 69  1  0  0  0  0
    659. 

  659.  70 72  1  0  0  0  0
    660. 

  660.  70 71  1  0  0  0  0
    661. 

  661.  72 73  1  0  0  0  0
    662. 

  662. M  END
    663. 

  663. >  <ID>
    664. 

  664. Tri_02
    665. 

  665. 

  666. >  <Cathepsin L nM>
    667. 

  667. 37000
    668. 

  668. 

  669. >  <Cathepsin B nM>
    670. 

  670. 150000
    671. 

  671. 

  672. > <FP:MACCS>
    673. 

  673. 23 41 54 57 79 82 89 90 91 92 95 97 98 100 105 106 109 110 111 113 114 115 116 117 123 125 126 128 131 132 136 137 138 140 142 143 144 145 146 147 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    674. 

  674. 

  675. $$$$
    676. 

  676. Men_12
    677. 

  677.   MOE2005           2D
    678. 

  678. 

  679.  67 68  0  0  1  0  0  0  0  0999 V2000
    680. 

  680.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    681. 

  681.    -0.5960    1.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    682. 

  682.     1.5000   -0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    683. 

  683.     2.1040    1.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    684. 

  684.     2.2450   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    685. 

  685.     3.4450   -1.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    686. 

  686.     1.4890   -2.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    687. 

  687.     2.0850   -3.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    688. 

  688.    -0.0110   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    689. 

  689.    -0.7660   -3.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    690. 

  690.    -2.2660   -3.8880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    691. 

  691.     0.3600   -4.3090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    692. 

  692.    -0.9790   -5.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    693. 

  693.    -0.7550   -1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    694. 

  694.    -1.9550   -1.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    695. 

  695.    -3.0220   -5.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    696. 

  696.    -4.5220   -5.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    697. 

  697.    -5.2770   -6.4730    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    698. 

  698.    -4.5320   -7.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    699. 

  699.    -5.2880   -9.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    700. 

  700.    -6.7880   -9.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    701. 

  701.    -6.7830   -7.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    702. 

  702.    -7.9880   -9.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    703. 

  703.    -6.7930  -10.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    704. 

  704.    -4.5430  -10.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    705. 

  705.    -5.5850  -10.9690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    706. 

  706.    -3.9470  -11.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    707. 

  707.    -3.5010   -9.7780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    708. 

  708.    -4.0880   -9.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    709. 

  709.    -3.6100   -7.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    710. 

  710.    -3.6160   -8.5510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    711. 

  711.    -5.8770   -5.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    712. 

  712.    -5.1170   -4.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    713. 

  713.    -2.2770   -6.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    714. 

  714.    -6.7770   -6.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    715. 

  715.    -7.5320   -7.7630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    716. 

  716.    -9.0320   -7.7570    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    717. 

  717.   -10.2320   -7.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    718. 

  718.    -9.7770   -6.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    719. 

  719.   -11.2770   -6.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    720. 

  720.   -12.0210   -5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    721. 

  721.   -11.0730   -7.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    722. 

  722.   -12.4060   -6.8540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    723. 

  723.    -8.6480   -6.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    724. 

  724.    -9.9800   -5.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    725. 

  725.    -7.2340   -8.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    726. 

  726.    -7.5220   -5.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    727. 

  727.    -9.7880   -9.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    728. 

  728.    -9.0430  -10.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    729. 

  729.    -9.7980  -11.6510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    730. 

  730.    -9.0540  -12.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    731. 

  731.   -10.0950  -13.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    732. 

  732.    -8.4580  -13.9950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    733. 

  733.    -8.0120  -12.3570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    734. 

  734.    -8.1200   -9.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    735. 

  735.    -8.1270  -11.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    736. 

  736.   -11.2880   -9.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    737. 

  737.   -13.5210   -5.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    738. 

  738.   -14.1260   -6.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    739. 

  739.   -14.2660   -3.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    740. 

  740.   -15.4660   -3.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    741. 

  741.   -13.5110   -2.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    742. 

  742.   -14.1060   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    743. 

  743.   -12.0110   -2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    744. 

  744.   -11.4060   -1.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    745. 

  745.   -11.2660   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    746. 

  746.   -10.0660   -3.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    747. 

  747.   1 14  2  0  0  0  0
    748. 

  748.   1  3  1  0  0  0  0
    749. 

  749.   1  2  1  0  0  0  0
    750. 

  750.   3  4  1  0  0  0  0
    751. 

  751.   3  5  2  0  0  0  0
    752. 

  752.   5  7  1  0  0  0  0
    753. 

  753.   5  6  1  0  0  0  0
    754. 

  754.   7  9  2  0  0  0  0
    755. 

  755.   7  8  1  0  0  0  0
    756. 

  756.   9 14  1  0  0  0  0
    757. 

  757.   9 10  1  0  0  0  0
    758. 

  758.  10 12  1  0  0  0  0
    759. 

  759.  10 11  1  0  0  0  0
    760. 

  760.  10 13  1  0  0  0  0
    761. 

  761.  11 16  1  0  0  0  0
    762. 

  762.  14 15  1  0  0  0  0
    763. 

  763.  16 17  1  0  0  0  0
    764. 

  764.  16 34  2  0  0  0  0
    765. 

  765.  17 18  1  0  0  0  0
    766. 

  766.  17 33  1  0  0  0  0
    767. 

  767.  18 32  1  0  0  0  0
    768. 

  768.  18 19  1  0  0  0  0
    769. 

  769.  18 35  1  0  0  0  0
    770. 

  770.  19 30  1  0  0  0  0
    771. 

  771.  19 20  1  0  0  0  0
    772. 

  772.  19 31  1  0  0  0  0
    773. 

  773.  20 25  1  0  0  0  0
    774. 

  774.  20 21  1  0  0  0  0
    775. 

  775.  20 29  1  0  0  0  0
    776. 

  776.  21 23  1  0  0  0  0
    777. 

  777.  21 22  1  0  0  0  0
    778. 

  778.  21 24  1  0  0  0  0
    779. 

  779.  25 27  1  0  0  0  0
    780. 

  780.  25 26  1  0  0  0  0
    781. 

  781.  25 28  1  0  0  0  0
    782. 

  782.  35 36  1  0  0  0  0
    783. 

  783.  35 47  2  0  0  0  0
    784. 

  784.  36 37  1  0  0  0  0
    785. 

  785.  36 46  1  0  0  0  0
    786. 

  786.  37 39  1  0  0  0  0
    787. 

  787.  37 38  1  0  0  0  0
    788. 

  788.  37 48  1  0  0  0  0
    789. 

  789.  39 44  1  0  0  0  0
    790. 

  790.  39 40  1  0  0  0  0
    791. 

  791.  39 45  1  0  0  0  0
    792. 

  792.  40 42  1  0  0  0  0
    793. 

  793.  40 41  1  0  0  0  0
    794. 

  794.  40 43  1  0  0  0  0
    795. 

  795.  41 58  1  0  0  0  0
    796. 

  796.  41 66  2  0  0  0  0
    797. 

  797.  48 49  1  0  0  0  0
    798. 

  798.  48 57  2  0  0  0  0
    799. 

  799.  49 55  1  0  0  0  0
    800. 

  800.  49 50  1  0  0  0  0
    801. 

  801.  49 56  1  0  0  0  0
    802. 

  802.  50 51  1  0  0  0  0
    803. 

  803.  51 53  1  0  0  0  0
    804. 

  804.  51 52  1  0  0  0  0
    805. 

  805.  51 54  1  0  0  0  0
    806. 

  806.  58 59  1  0  0  0  0
    807. 

  807.  58 60  2  0  0  0  0
    808. 

  808.  60 61  1  0  0  0  0
    809. 

  809.  60 62  1  0  0  0  0
    810. 

  810.  62 63  1  0  0  0  0
    811. 

  811.  62 64  2  0  0  0  0
    812. 

  812.  64 65  1  0  0  0  0
    813. 

  813.  64 66  1  0  0  0  0
    814. 

  814.  66 67  1  0  0  0  0
    815. 

  815. M  END
    816. 

  816. >  <ID>
    817. 

  817. Men_12
    818. 

  818. 

  819. >  <Cathepsin L nM>
    820. 

  820. 22300
    821. 

  821. 

  822. >  <Cathepsin B nM>
    823. 

  823. 150000
    824. 

  824. 

  825. > <FP:MACCS>
    826. 

  826. 23 54 72 74 79 86 90 92 93 95 97 104 106 109 110 111 115 117 123 125 126 128 129 131 132 136 138 140 141 142 145 146 147 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    827. 

  827. 

  828. $$$$
    829. 

  829. Tri_07
    830. 

  830.   MOE2005           2D
    831. 

  831. 

  832.  73 76  0  0  1  0  0  0  0  0999 V2000
    833. 

  833.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    834. 

  834.    -0.5970    1.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    835. 

  835.     1.5000   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    836. 

  836.     2.1030    1.0330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    837. 

  837.     2.2460   -1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    838. 

  838.     3.4460   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    839. 

  839.     1.4920   -2.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    840. 

  840.     2.0880   -3.6440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    841. 

  841.    -0.0080   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    842. 

  842.    -0.7620   -3.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    843. 

  843.     0.3640   -4.3090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    844. 

  844.    -0.9740   -5.0760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    845. 

  845.    -2.2620   -3.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    846. 

  846.    -0.7540   -1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    847. 

  847.    -1.9540   -1.2930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    848. 

  848.    -3.0160   -5.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    849. 

  849.    -4.5160   -5.1820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    850. 

  850.    -4.8150   -4.6610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    851. 

  851.    -5.2700   -6.4790    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    852. 

  852.    -5.8700   -7.5180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    853. 

  853.    -6.7700   -6.4740    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    854. 

  854.    -7.9700   -6.4740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    855. 

  855.    -7.5240   -7.7710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    856. 

  856.    -7.5160   -5.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    857. 

  857.    -7.9770   -5.5570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    858. 

  858.    -8.4330   -4.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    859. 

  859.    -6.7620   -3.8760    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    860. 

  860.    -5.9140   -3.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    861. 

  861.    -7.5080   -2.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    862. 

  862.    -8.8100   -3.3200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    863. 

  863.    -8.2540   -1.2730    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    864. 

  864.    -6.2070   -1.8280    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    865. 

  865.    -5.2620   -3.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    866. 

  866.    -5.2660   -5.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    867. 

  867.    -4.0620   -3.8840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    868. 

  868.    -5.2580   -2.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    869. 

  869.    -2.2700   -6.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    870. 

  870.    -4.5240   -7.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    871. 

  871.    -3.0240   -7.7850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    872. 

  872.    -2.7230   -7.2660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    873. 

  873.    -2.2790   -9.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    874. 

  874.    -3.4080   -9.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    875. 

  875.    -2.0740  -10.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    876. 

  876.    -0.7790   -9.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    877. 

  877.     0.7210   -9.0960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    878. 

  878.    -5.2790   -9.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    879. 

  879.    -9.0240   -7.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    880. 

  880.    -9.7700   -6.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    881. 

  881.    -9.2060   -6.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    882. 

  882.    -9.9750   -5.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    883. 

  883.   -11.2700   -6.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    884. 

  884.    -9.7790   -9.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    885. 

  885.   -12.0160   -5.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    886. 

  886.   -11.4130   -4.1210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    887. 

  887.   -13.5160   -5.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    888. 

  888.   -14.1130   -4.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    889. 

  889.   -14.2700   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    890. 

  890.   -15.4700   -6.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    891. 

  891.   -13.5240   -7.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    892. 

  892.   -12.0240   -7.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    893. 

  893.   -14.2790   -9.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    894. 

  894.   -15.7780   -9.0440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    895. 

  895.   -13.5330  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    896. 

  896.   -12.0330  -10.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    897. 

  897.   -11.2790   -9.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    898. 

  898.   -14.2870  -11.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    899. 

  899.   -15.4870  -11.6430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    900. 

  900.   -13.5410  -12.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    901. 

  901.   -14.1440  -13.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    902. 

  902.   -12.0410  -12.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    903. 

  903.   -11.4440  -13.9940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    904. 

  904.   -11.2870  -11.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    905. 

  905.   -10.0870  -11.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    906. 

  906.   1 14  2  0  0  0  0
    907. 

  907.   1  3  1  0  0  0  0
    908. 

  908.   1  2  1  0  0  0  0
    909. 

  909.   3  4  1  0  0  0  0
    910. 

  910.   3  5  2  0  0  0  0
    911. 

  911.   5  7  1  0  0  0  0
    912. 

  912.   5  6  1  0  0  0  0
    913. 

  913.   7  9  2  0  0  0  0
    914. 

  914.   7  8  1  0  0  0  0
    915. 

  915.   9 14  1  0  0  0  0
    916. 

  916.   9 10  1  0  0  0  0
    917. 

  917.  10 12  1  0  0  0  0
    918. 

  918.  10 11  1  0  0  0  0
    919. 

  919.  10 13  1  0  0  0  0
    920. 

  920.  13 16  1  0  0  0  0
    921. 

  921.  14 15  1  0  0  0  0
    922. 

  922.  16 17  1  0  0  0  0
    923. 

  923.  16 37  2  0  0  0  0
    924. 

  924.  17 18  1  0  0  0  0
    925. 

  925.  17 19  1  0  0  0  0
    926. 

  926.  19 21  1  0  0  0  0
    927. 

  927.  19 20  1  0  0  0  0
    928. 

  928.  19 38  1  0  0  0  0
    929. 

  929.  21 23  1  0  0  0  0
    930. 

  930.  21 22  1  0  0  0  0
    931. 

  931.  21 24  1  0  0  0  0
    932. 

  932.  23 47  1  0  0  0  0
    933. 

  933.  24 26  1  0  0  0  0
    934. 

  934.  24 25  1  0  0  0  0
    935. 

  935.  24 27  1  0  0  0  0
    936. 

  936.  27 29  1  0  0  0  0
    937. 

  937.  27 28  1  0  0  0  0
    938. 

  938.  27 33  1  0  0  0  0
    939. 

  939.  29 31  1  0  0  0  0
    940. 

  940.  29 30  1  0  0  0  0
    941. 

  941.  29 32  1  0  0  0  0
    942. 

  942.  33 35  1  0  0  0  0
    943. 

  943.  33 34  1  0  0  0  0
    944. 

  944.  33 36  1  0  0  0  0
    945. 

  945.  38 39  1  0  0  0  0
    946. 

  946.  38 46  2  0  0  0  0
    947. 

  947.  39 40  1  0  0  0  0
    948. 

  948.  39 41  1  0  0  0  0
    949. 

  949.  41 43  1  0  0  0  0
    950. 

  950.  41 42  1  0  0  0  0
    951. 

  951.  41 44  1  0  0  0  0
    952. 

  952.  44 45  3  0  0  0  0
    953. 

  953.  47 48  1  0  0  0  0
    954. 

  954.  47 52  2  0  0  0  0
    955. 

  955.  48 50  1  0  0  0  0
    956. 

  956.  48 49  1  0  0  0  0
    957. 

  957.  48 51  1  0  0  0  0
    958. 

  958.  51 53  1  0  0  0  0
    959. 

  959.  51 60  2  0  0  0  0
    960. 

  960.  53 54  1  0  0  0  0
    961. 

  961.  53 55  2  0  0  0  0
    962. 

  962.  55 56  1  0  0  0  0
    963. 

  963.  55 57  1  0  0  0  0
    964. 

  964.  57 58  1  0  0  0  0
    965. 

  965.  57 59  2  0  0  0  0
    966. 

  966.  59 61  1  0  0  0  0
    967. 

  967.  59 60  1  0  0  0  0
    968. 

  968.  60 65  1  0  0  0  0
    969. 

  969.  61 62  2  0  0  0  0
    970. 

  970.  61 63  1  0  0  0  0
    971. 

  971.  63 64  1  0  0  0  0
    972. 

  972.  63 66  2  0  0  0  0
    973. 

  973.  64 65  1  0  0  0  0
    974. 

  974.  64 72  2  0  0  0  0
    975. 

  975.  66 67  1  0  0  0  0
    976. 

  976.  66 68  1  0  0  0  0
    977. 

  977.  68 70  2  0  0  0  0
    978. 

  978.  68 69  1  0  0  0  0
    979. 

  979.  70 72  1  0  0  0  0
    980. 

  980.  70 71  1  0  0  0  0
    981. 

  981.  72 73  1  0  0  0  0
    982. 

  982. M  END
    983. 

  983. >  <ID>
    984. 

  984. Tri_07
    985. 

  985. 

  986. >  <Cathepsin L nM>
    987. 

  987. 22000
    988. 

  988. 

  989. >  <Cathepsin B nM>
    990. 

  990. 150000
    991. 

  991. 

  992. > <FP:MACCS>
    993. 

  993. 23 41 42 54 57 79 82 89 90 91 92 95 97 98 100 105 106 107 109 110 111 112 113 115 117 123 125 126 128 131 132 134 136 137 138 140 142 143 144 145 146 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    994. 

  994. 

  995. $$$$
    996. 

  996. Men_13
    997. 

  997.   MOE2005           2D
    998. 

  998. 

  999.  70 71  0  0  1  0  0  0  0  0999 V2000
    1000. 

  1000.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1001. 

  1001.    -1.0400   -0.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1002. 

  1002.     0.0020    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1003. 

  1003.    -1.0370    2.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1004. 

  1004.     1.3020    2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1005. 

  1005.     1.3030    3.4480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1006. 

  1006.     2.6000    1.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1007. 

  1007.     3.6400    2.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1008. 

  1008.     2.5980   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1009. 

  1009.     3.8960   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1010. 

  1010.     5.1960   -0.0060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1011. 

  1011.     3.1240   -1.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1012. 

  1012.     4.6660   -1.6750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1013. 

  1013.     1.2980   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1014. 

  1014.     1.2970   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1015. 

  1015.     6.4940   -0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1016. 

  1016.     7.7940   -0.0090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1017. 

  1017.     9.0920   -0.7610    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1018. 

  1018.     9.0910   -2.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1019. 

  1019.    10.3890   -3.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1020. 

  1020.    10.3870   -4.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1021. 

  1021.     9.1870   -4.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1022. 

  1022.    10.3860   -5.7120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1023. 

  1023.    11.5870   -4.5140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1024. 

  1024.    11.6890   -2.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1025. 

  1025.    12.2880   -3.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1026. 

  1026.    12.7290   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1027. 

  1027.    11.0900   -1.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1028. 

  1028.    11.4280   -3.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1029. 

  1029.     7.9090   -2.0510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1030. 

  1030.     8.6790   -3.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1031. 

  1031.     9.0920    0.4390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1032. 

  1032.     7.7960    1.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1033. 

  1033.     6.4920   -2.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1034. 

  1034.    10.3920   -0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1035. 

  1035.    10.3940    1.4880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1036. 

  1036.    11.6940    2.2360    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1037. 

  1037.    10.6550    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1038. 

  1038.    12.9920    1.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1039. 

  1039.    14.2920    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1040. 

  1040.    15.5900    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1041. 

  1041.    13.5220    3.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1042. 

  1042.    15.0640    3.1520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1043. 

  1043.    12.2200    0.5660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1044. 

  1044.    13.7620    0.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1045. 

  1045.     9.3560    2.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1046. 

  1046.    11.6900   -0.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1047. 

  1047.    11.6960    3.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1048. 

  1048.    10.3980    4.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1049. 

  1049.    10.3990    5.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1050. 

  1050.     9.9860    3.3610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1051. 

  1051.     9.2160    4.6980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1052. 

  1052.    12.9960    4.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1053. 

  1053.    16.8900    2.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1054. 

  1054.    16.8920    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1055. 

  1055.    18.1880    1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1056. 

  1056.    19.2280    2.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1057. 

  1057.    18.1860   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1058. 

  1058.    19.2250   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1059. 

  1059.    16.8870   -0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1060. 

  1060.    16.8850   -1.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1061. 

  1061.    15.5880   -0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1062. 

  1062.    14.5480   -0.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1063. 

  1063.     9.1010    6.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1064. 

  1064.     9.1030    8.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1065. 

  1065.    10.3030    8.2380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1066. 

  1066.     9.1040    9.4390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1067. 

  1067.     7.9030    8.2410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1068. 

  1068.     8.6890    5.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1069. 

  1069.     7.9200    6.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1070. 

  1070.   1 14  2  0  0  0  0
    1071. 

  1071.   1  3  1  0  0  0  0
    1072. 

  1072.   1  2  1  0  0  0  0
    1073. 

  1073.   3  4  1  0  0  0  0
    1074. 

  1074.   3  5  2  0  0  0  0
    1075. 

  1075.   5  7  1  0  0  0  0
    1076. 

  1076.   5  6  1  0  0  0  0
    1077. 

  1077.   7  9  2  0  0  0  0
    1078. 

  1078.   7  8  1  0  0  0  0
    1079. 

  1079.   9 14  1  0  0  0  0
    1080. 

  1080.   9 10  1  0  0  0  0
    1081. 

  1081.  10 12  1  0  0  0  0
    1082. 

  1082.  10 11  1  0  0  0  0
    1083. 

  1083.  10 13  1  0  0  0  0
    1084. 

  1084.  11 16  1  0  0  0  0
    1085. 

  1085.  14 15  1  0  0  0  0
    1086. 

  1086.  16 17  1  0  0  0  0
    1087. 

  1087.  16 34  2  0  0  0  0
    1088. 

  1088.  17 18  1  0  0  0  0
    1089. 

  1089.  17 33  1  0  0  0  0
    1090. 

  1090.  18 32  1  0  0  0  0
    1091. 

  1091.  18 19  1  0  0  0  0
    1092. 

  1092.  18 35  1  0  0  0  0
    1093. 

  1093.  19 30  1  0  0  0  0
    1094. 

  1094.  19 20  1  0  0  0  0
    1095. 

  1095.  19 31  1  0  0  0  0
    1096. 

  1096.  20 25  1  0  0  0  0
    1097. 

  1097.  20 21  1  0  0  0  0
    1098. 

  1098.  20 29  1  0  0  0  0
    1099. 

  1099.  21 23  1  0  0  0  0
    1100. 

  1100.  21 22  1  0  0  0  0
    1101. 

  1101.  21 24  1  0  0  0  0
    1102. 

  1102.  25 27  1  0  0  0  0
    1103. 

  1103.  25 26  1  0  0  0  0
    1104. 

  1104.  25 28  1  0  0  0  0
    1105. 

  1105.  35 36  1  0  0  0  0
    1106. 

  1106.  35 47  2  0  0  0  0
    1107. 

  1107.  36 37  1  0  0  0  0
    1108. 

  1108.  36 46  1  0  0  0  0
    1109. 

  1109.  37 39  1  0  0  0  0
    1110. 

  1110.  37 38  1  0  0  0  0
    1111. 

  1111.  37 48  1  0  0  0  0
    1112. 

  1112.  39 44  1  0  0  0  0
    1113. 

  1113.  39 40  1  0  0  0  0
    1114. 

  1114.  39 45  1  0  0  0  0
    1115. 

  1115.  40 42  1  0  0  0  0
    1116. 

  1116.  40 41  1  0  0  0  0
    1117. 

  1117.  40 43  1  0  0  0  0
    1118. 

  1118.  41 54  1  0  0  0  0
    1119. 

  1119.  41 62  2  0  0  0  0
    1120. 

  1120.  48 49  1  0  0  0  0
    1121. 

  1121.  48 53  2  0  0  0  0
    1122. 

  1122.  49 51  1  0  0  0  0
    1123. 

  1123.  49 50  1  0  0  0  0
    1124. 

  1124.  49 52  1  0  0  0  0
    1125. 

  1125.  50 64  1  0  0  0  0
    1126. 

  1126.  54 55  1  0  0  0  0
    1127. 

  1127.  54 56  2  0  0  0  0
    1128. 

  1128.  56 57  1  0  0  0  0
    1129. 

  1129.  56 58  1  0  0  0  0
    1130. 

  1130.  58 59  1  0  0  0  0
    1131. 

  1131.  58 60  2  0  0  0  0
    1132. 

  1132.  60 61  1  0  0  0  0
    1133. 

  1133.  60 62  1  0  0  0  0
    1134. 

  1134.  62 63  1  0  0  0  0
    1135. 

  1135.  64 69  1  0  0  0  0
    1136. 

  1136.  64 65  1  0  0  0  0
    1137. 

  1137.  64 70  1  0  0  0  0
    1138. 

  1138.  65 67  1  0  0  0  0
    1139. 

  1139.  65 66  1  0  0  0  0
    1140. 

  1140.  65 68  1  0  0  0  0
    1141. 

  1141. M  END
    1142. 

  1142. >  <ID>
    1143. 

  1143. Men_13
    1144. 

  1144. 

  1145. >  <Cathepsin L nM>
    1146. 

  1146. 16700
    1147. 

  1147. 

  1148. >  <Cathepsin B nM>
    1149. 

  1149. 150000
    1150. 

  1150. 

  1151. > <FP:MACCS>
    1152. 

  1152. 23 54 72 74 79 86 90 92 95 97 104 106 109 110 111 114 115 116 117 123 125 126 128 129 131 132 136 138 140 141 142 145 146 147 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    1153. 

  1153. 

  1154. $$$$
    1155. 

  1155. Tri_04
    1156. 

  1156.   MOE2005           2D
    1157. 

  1157. 

  1158.  38 38  0  0  1  0  0  0  0  0999 V2000
    1159. 

  1159.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1160. 

  1160.    -0.6040    1.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1161. 

  1161.     1.5000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1162. 

  1162.     2.0960    1.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1163. 

  1163.     2.2560   -1.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1164. 

  1164.     3.4560   -1.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1165. 

  1165.     1.5110   -2.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1166. 

  1166.     2.1160   -3.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1167. 

  1167.     0.0110   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1168. 

  1168.    -0.7330   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1169. 

  1169.     0.3960   -4.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1170. 

  1170.    -0.9360   -5.0830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1171. 

  1171.    -2.2330   -3.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1172. 

  1172.    -0.7440   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1173. 

  1173.    -1.9440   -1.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1174. 

  1174.    -2.9780   -5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1175. 

  1175.    -4.4780   -5.2160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1176. 

  1176.    -5.0820   -4.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1177. 

  1177.    -5.2220   -6.5180    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1178. 

  1178.    -5.8220   -5.4790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1179. 

  1179.    -4.4660   -7.8140    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1180. 

  1180.    -5.2110   -9.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1181. 

  1181.    -6.2520   -8.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1182. 

  1182.    -5.8060  -10.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1183. 

  1183.    -4.1690   -9.7110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1184. 

  1184.    -3.8660   -8.8530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1185. 

  1185.    -2.9660   -7.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1186. 

  1186.    -2.3620   -8.8440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1187. 

  1187.    -2.2220   -6.5050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1188. 

  1188.    -6.7220   -6.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1189. 

  1189.    -7.4780   -5.2280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1190. 

  1190.    -6.8820   -4.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1191. 

  1191.    -8.9780   -5.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1192. 

  1192.    -8.7640   -6.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1193. 

  1193.   -10.1030   -5.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1194. 

  1194.    -9.7330   -3.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1195. 

  1195.   -10.4890   -2.6430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1196. 

  1196.    -7.4660   -7.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1197. 

  1197.   1 14  2  0  0  0  0
    1198. 

  1198.   1  3  1  0  0  0  0
    1199. 

  1199.   1  2  1  0  0  0  0
    1200. 

  1200.   3  4  1  0  0  0  0
    1201. 

  1201.   3  5  2  0  0  0  0
    1202. 

  1202.   5  7  1  0  0  0  0
    1203. 

  1203.   5  6  1  0  0  0  0
    1204. 

  1204.   7  9  2  0  0  0  0
    1205. 

  1205.   7  8  1  0  0  0  0
    1206. 

  1206.   9 14  1  0  0  0  0
    1207. 

  1207.   9 10  1  0  0  0  0
    1208. 

  1208.  10 12  1  0  0  0  0
    1209. 

  1209.  10 11  1  0  0  0  0
    1210. 

  1210.  10 13  1  0  0  0  0
    1211. 

  1211.  13 16  1  0  0  0  0
    1212. 

  1212.  14 15  1  0  0  0  0
    1213. 

  1213.  16 17  1  0  0  0  0
    1214. 

  1214.  16 29  2  0  0  0  0
    1215. 

  1215.  17 18  1  0  0  0  0
    1216. 

  1216.  17 19  1  0  0  0  0
    1217. 

  1217.  19 21  1  0  0  0  0
    1218. 

  1218.  19 20  1  0  0  0  0
    1219. 

  1219.  19 30  1  0  0  0  0
    1220. 

  1220.  21 26  1  0  0  0  0
    1221. 

  1221.  21 22  1  0  0  0  0
    1222. 

  1222.  21 27  1  0  0  0  0
    1223. 

  1223.  22 24  1  0  0  0  0
    1224. 

  1224.  22 23  1  0  0  0  0
    1225. 

  1225.  22 25  1  0  0  0  0
    1226. 

  1226.  27 28  1  0  0  0  0
    1227. 

  1227.  30 31  1  0  0  0  0
    1228. 

  1228.  30 38  2  0  0  0  0
    1229. 

  1229.  31 32  1  0  0  0  0
    1230. 

  1230.  31 33  1  0  0  0  0
    1231. 

  1231.  33 35  1  0  0  0  0
    1232. 

  1232.  33 34  1  0  0  0  0
    1233. 

  1233.  33 36  1  0  0  0  0
    1234. 

  1234.  36 37  3  0  0  0  0
    1235. 

  1235. M  END
    1236. 

  1236. >  <ID>
    1237. 

  1237. Tri_04
    1238. 

  1238. 

  1239. >  <Cathepsin L nM>
    1240. 

  1240. 14000
    1241. 

  1241. 

  1242. >  <Cathepsin B nM>
    1243. 

  1243. 150000
    1244. 

  1244. 

  1245. > <FP:MACCS>
    1246. 

  1246. 23 41 53 54 79 82 89 90 91 92 95 97 100 106 109 110 111 117 123 126 131 136 138 139 140 142 146 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    1247. 

  1247. 

  1248. $$$$
    1249. 

  1249. Ryd_16
    1250. 

  1250.   MOE2005           2D
    1251. 

  1251. 

  1252.  31 31  0  0  1  0  0  0  0  0999 V2000
    1253. 

  1253.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1254. 

  1254.     0.7390    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1255. 

  1255.     2.9680    2.7800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1256. 

  1256.     3.2680    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1257. 

  1257.     4.4120    3.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1258. 

  1258.     3.7470    5.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1259. 

  1259.     4.1280    3.0910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1260. 

  1260.     1.4780    2.6110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1261. 

  1261.     0.8560    3.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1262. 

  1262.     1.9620    4.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1263. 

  1263.     2.6600    5.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1264. 

  1264.     1.0640    5.7840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1265. 

  1265.    -0.1780    3.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1266. 

  1266.     0.1430    4.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1267. 

  1267.     3.9820    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1268. 

  1268.     3.5300    0.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1269. 

  1269.     6.4590    0.8920    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1270. 

  1270.     6.0080   -0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1271. 

  1271.     4.8630   -0.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1272. 

  1272.     5.6460   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1273. 

  1273.     7.1520   -0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1274. 

  1274.     7.3080    0.0430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1275. 

  1275.     5.4460    1.9980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1276. 

  1276.     5.8070    3.1420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1277. 

  1277.     7.9240    1.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1278. 

  1278.     8.9370    0.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1279. 

  1279.    10.4010    0.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1280. 

  1280.    10.6610   -0.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1281. 

  1281.    11.5730    0.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1282. 

  1282.    10.1420    1.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1283. 

  1283.     8.3750    2.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1284. 

  1284.   1  2  3  0  0  0  0
    1285. 

  1285.   2  8  1  0  0  0  0
    1286. 

  1286.   3  8  1  0  0  0  0
    1287. 

  1287.   3 15  1  0  0  0  0
    1288. 

  1288.   3  7  1  0  0  0  0
    1289. 

  1289.   3  4  1  0  0  0  0
    1290. 

  1290.   4  6  1  0  0  0  0
    1291. 

  1291.   4  5  1  0  0  0  0
    1292. 

  1292.   4 10  1  0  0  0  0
    1293. 

  1293.   8  9  1  0  0  0  0
    1294. 

  1294.   9 13  1  0  0  0  0
    1295. 

  1295.   9 14  1  0  0  0  0
    1296. 

  1296.   9 10  1  0  0  0  0
    1297. 

  1297.  10 11  1  0  0  0  0
    1298. 

  1298.  10 12  1  0  0  0  0
    1299. 

  1299.  15 16  2  0  0  0  0
    1300. 

  1300.  15 23  1  0  0  0  0
    1301. 

  1301.  17 23  1  0  0  0  0
    1302. 

  1302.  17 25  1  0  0  0  0
    1303. 

  1303.  17 22  1  0  0  0  0
    1304. 

  1304.  17 18  1  0  0  0  0
    1305. 

  1305.  18 20  1  0  0  0  0
    1306. 

  1306.  18 19  1  0  0  0  0
    1307. 

  1307.  18 21  1  0  0  0  0
    1308. 

  1308.  23 24  1  0  0  0  0
    1309. 

  1309.  25 26  1  0  0  0  0
    1310. 

  1310.  25 31  2  0  0  0  0
    1311. 

  1311.  26 27  1  0  0  0  0
    1312. 

  1312.  27 29  1  0  0  0  0
    1313. 

  1313.  27 28  1  0  0  0  0
    1314. 

  1314.  27 30  1  0  0  0  0
    1315. 

  1315. M  END
    1316. 

  1316. >  <ID>
    1317. 

  1317. Ryd_16
    1318. 

  1318. 

  1319. >  <Cathepsin L nM>
    1320. 

  1320. 410
    1321. 

  1321. 

  1322. >  <Cathepsin B nM>
    1323. 

  1323. 150000
    1324. 

  1324. 

  1325. > <FP:MACCS>
    1326. 

  1326. 41 75 77 79 83 85 90 91 92 93 95 96 100 110 111 117 121 122 123 126 128 129 136 137 142 146 147 148 149 150 151 153 154 156 157 158 159 160 161 164 165
    1327. 

  1327. 

  1328. $$$$
    1329. 

  1329. Tri_01
    1330. 

  1330.   MOE2005           2D
    1331. 

  1331. 

  1332.  73 76  0  0  1  0  0  0  0  0999 V2000
    1333. 

  1333.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1334. 

  1334.     0.6020    1.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1335. 

  1335.     0.7480   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1336. 

  1336.     1.9480   -1.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1337. 

  1337.    -0.0050   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1338. 

  1338.     0.5930   -3.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1339. 

  1339.    -1.5050   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1340. 

  1340.    -2.1070   -3.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1341. 

  1341.    -2.2520   -1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1342. 

  1342.    -3.7520   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1343. 

  1343.    -3.5460   -2.4740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1344. 

  1344.    -4.8810   -1.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1345. 

  1345.    -4.5000    0.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1346. 

  1346.    -1.5000    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1347. 

  1347.    -2.0980    1.0430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1348. 

  1348.    -6.0000    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1349. 

  1349.    -6.7480    1.3120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1350. 

  1350.    -6.4460    1.8310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1351. 

  1351.    -8.2480    1.3150    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1352. 

  1352.    -9.4480    1.3150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1353. 

  1353.    -8.9950    2.6150    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1354. 

  1354.    -9.5950    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1355. 

  1355.   -10.4950    2.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1356. 

  1356.    -8.2420    3.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1357. 

  1357.    -9.3690    4.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1358. 

  1358.    -8.0320    5.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1359. 

  1359.    -6.7420    3.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1360. 

  1360.    -5.9900    5.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1361. 

  1361.    -4.9520    4.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1362. 

  1362.    -5.3880    6.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1363. 

  1363.    -7.0280    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1364. 

  1364.    -5.5420    3.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1365. 

  1365.    -5.9950    2.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1366. 

  1366.    -7.0350    2.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1367. 

  1367.    -5.3970    1.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1368. 

  1368.    -4.9550    3.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1369. 

  1369.    -6.7520   -1.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1370. 

  1370.    -9.0000    0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1371. 

  1371.    -8.2520   -1.2830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1372. 

  1372.    -7.6520   -1.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1373. 

  1373.    -9.0050   -2.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1374. 

  1374.    -9.9230   -1.8080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1375. 

  1375.    -9.9260   -3.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1376. 

  1376.    -8.2580   -3.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1377. 

  1377.    -7.5100   -5.1820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1378. 

  1378.   -10.5000    0.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1379. 

  1379.   -11.2420    3.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1380. 

  1380.   -12.7420    3.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1381. 

  1381.   -12.5360    2.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1382. 

  1382.   -13.8710    3.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1383. 

  1383.   -13.4900    5.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1384. 

  1384.   -10.4900    5.2160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1385. 

  1385.   -12.7380    6.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1386. 

  1386.   -11.5380    6.5170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1387. 

  1387.   -13.4850    7.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1388. 

  1388.   -12.8830    8.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1389. 

  1389.   -14.9850    7.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1390. 

  1390.   -15.5830    8.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1391. 

  1391.   -15.7380    6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1392. 

  1392.   -14.9900    5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1393. 

  1393.   -17.2380    6.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1394. 

  1394.   -17.9850    7.8290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1395. 

  1395.   -17.9900    5.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1396. 

  1396.   -17.2420    3.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1397. 

  1397.   -15.7420    3.9270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1398. 

  1398.   -19.4900    5.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1399. 

  1399.   -20.0880    6.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1400. 

  1400.   -20.2420    3.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1401. 

  1401.   -21.4420    3.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1402. 

  1402.   -19.4950    2.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1403. 

  1403.   -20.0970    1.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1404. 

  1404.   -17.9950    2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1405. 

  1405.   -17.3970    1.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1406. 

  1406.   1 14  2  0  0  0  0
    1407. 

  1407.   1  3  1  0  0  0  0
    1408. 

  1408.   1  2  1  0  0  0  0
    1409. 

  1409.   3  4  1  0  0  0  0
    1410. 

  1410.   3  5  2  0  0  0  0
    1411. 

  1411.   5  7  1  0  0  0  0
    1412. 

  1412.   5  6  1  0  0  0  0
    1413. 

  1413.   7  9  2  0  0  0  0
    1414. 

  1414.   7  8  1  0  0  0  0
    1415. 

  1415.   9 14  1  0  0  0  0
    1416. 

  1416.   9 10  1  0  0  0  0
    1417. 

  1417.  10 12  1  0  0  0  0
    1418. 

  1418.  10 11  1  0  0  0  0
    1419. 

  1419.  10 13  1  0  0  0  0
    1420. 

  1420.  13 16  1  0  0  0  0
    1421. 

  1421.  14 15  1  0  0  0  0
    1422. 

  1422.  16 17  1  0  0  0  0
    1423. 

  1423.  16 37  2  0  0  0  0
    1424. 

  1424.  17 18  1  0  0  0  0
    1425. 

  1425.  17 19  1  0  0  0  0
    1426. 

  1426.  19 21  1  0  0  0  0
    1427. 

  1427.  19 20  1  0  0  0  0
    1428. 

  1428.  19 38  1  0  0  0  0
    1429. 

  1429.  21 23  1  0  0  0  0
    1430. 

  1430.  21 22  1  0  0  0  0
    1431. 

  1431.  21 24  1  0  0  0  0
    1432. 

  1432.  23 47  1  0  0  0  0
    1433. 

  1433.  24 26  1  0  0  0  0
    1434. 

  1434.  24 25  1  0  0  0  0
    1435. 

  1435.  24 27  1  0  0  0  0
    1436. 

  1436.  27 32  1  0  0  0  0
    1437. 

  1437.  27 28  1  0  0  0  0
    1438. 

  1438.  27 33  1  0  0  0  0
    1439. 

  1439.  28 30  1  0  0  0  0
    1440. 

  1440.  28 29  1  0  0  0  0
    1441. 

  1441.  28 31  1  0  0  0  0
    1442. 

  1442.  33 35  1  0  0  0  0
    1443. 

  1443.  33 34  1  0  0  0  0
    1444. 

  1444.  33 36  1  0  0  0  0
    1445. 

  1445.  38 39  1  0  0  0  0
    1446. 

  1446.  38 46  2  0  0  0  0
    1447. 

  1447.  39 40  1  0  0  0  0
    1448. 

  1448.  39 41  1  0  0  0  0
    1449. 

  1449.  41 43  1  0  0  0  0
    1450. 

  1450.  41 42  1  0  0  0  0
    1451. 

  1451.  41 44  1  0  0  0  0
    1452. 

  1452.  44 45  3  0  0  0  0
    1453. 

  1453.  47 48  1  0  0  0  0
    1454. 

  1454.  47 52  2  0  0  0  0
    1455. 

  1455.  48 50  1  0  0  0  0
    1456. 

  1456.  48 49  1  0  0  0  0
    1457. 

  1457.  48 51  1  0  0  0  0
    1458. 

  1458.  51 53  1  0  0  0  0
    1459. 

  1459.  51 60  2  0  0  0  0
    1460. 

  1460.  53 54  1  0  0  0  0
    1461. 

  1461.  53 55  2  0  0  0  0
    1462. 

  1462.  55 56  1  0  0  0  0
    1463. 

  1463.  55 57  1  0  0  0  0
    1464. 

  1464.  57 58  1  0  0  0  0
    1465. 

  1465.  57 59  2  0  0  0  0
    1466. 

  1466.  59 61  1  0  0  0  0
    1467. 

  1467.  59 60  1  0  0  0  0
    1468. 

  1468.  60 65  1  0  0  0  0
    1469. 

  1469.  61 62  2  0  0  0  0
    1470. 

  1470.  61 63  1  0  0  0  0
    1471. 

  1471.  63 64  1  0  0  0  0
    1472. 

  1472.  63 66  2  0  0  0  0
    1473. 

  1473.  64 65  1  0  0  0  0
    1474. 

  1474.  64 72  2  0  0  0  0
    1475. 

  1475.  66 67  1  0  0  0  0
    1476. 

  1476.  66 68  1  0  0  0  0
    1477. 

  1477.  68 70  2  0  0  0  0
    1478. 

  1478.  68 69  1  0  0  0  0
    1479. 

  1479.  70 72  1  0  0  0  0
    1480. 

  1480.  70 71  1  0  0  0  0
    1481. 

  1481.  72 73  1  0  0  0  0
    1482. 

  1482. M  END
    1483. 

  1483. >  <ID>
    1484. 

  1484. Tri_01
    1485. 

  1485. 

  1486. >  <Cathepsin L nM>
    1487. 

  1487. 2790
    1488. 

  1488. 

  1489. >  <Cathepsin B nM>
    1490. 

  1490. 123000
    1491. 

  1491. 

  1492. > <FP:MACCS>
    1493. 

  1493. 23 41 54 57 74 79 82 89 90 91 92 95 97 98 100 105 106 109 110 111 113 115 117 123 125 126 128 131 132 136 137 138 140 142 143 144 145 146 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    1494. 

  1494. 

  1495. $$$$
    1496. 

  1496. Oue12c
    1497. 

  1497.   MOE2005           2D
    1498. 

  1498. 

  1499.  40 41  0  0  1  0  0  0  0  0999 V2000
    1500. 

  1500.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1501. 

  1501.     1.5000    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1502. 

  1502.     3.0000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1503. 

  1503.     2.7940   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1504. 

  1504.     4.1280   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1505. 

  1505.     3.7480    1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1506. 

  1506.     3.1460    2.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1507. 

  1507.     5.2480    1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1508. 

  1508.     5.9950    2.6090    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1509. 

  1509.     4.7950    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1510. 

  1510.     6.0000    0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1511. 

  1511.     7.4950    2.6120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1512. 

  1512.     8.2480    1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1513. 

  1513.     7.1210    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1514. 

  1514.     8.4580    0.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1515. 

  1515.     9.7480    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1516. 

  1516.    10.5000    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1517. 

  1517.     8.6950    2.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1518. 

  1518.     8.2430    3.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1519. 

  1519.     9.1640    3.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1520. 

  1520.     9.1610    4.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1521. 

  1521.     7.4900    5.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1522. 

  1522.     8.6170    5.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1523. 

  1523.     7.2800    6.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1524. 

  1524.     5.9900    5.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1525. 

  1525.     6.1970    6.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1526. 

  1526.     4.8620    5.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1527. 

  1527.     5.2430    3.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1528. 

  1528.     4.3250    3.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1529. 

  1529.     4.3220    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1530. 

  1530.     9.7520   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1531. 

  1531.     8.5520   -1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1532. 

  1532.    10.5050   -2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1533. 

  1533.     9.9070   -3.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1534. 

  1534.    12.0050   -2.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1535. 

  1535.    12.6070   -3.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1536. 

  1536.    12.7520   -1.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1537. 

  1537.    14.2520   -1.2730    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1538. 

  1538.    12.0000    0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1539. 

  1539.    12.5980    1.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1540. 

  1540.   1  2  3  0  0  0  0
    1541. 

  1541.   2  3  1  0  0  0  0
    1542. 

  1542.   3  5  1  0  0  0  0
    1543. 

  1543.   3  4  1  0  0  0  0
    1544. 

  1544.   3  6  1  0  0  0  0
    1545. 

  1545.   6  7  1  0  0  0  0
    1546. 

  1546.   6  8  1  0  0  0  0
    1547. 

  1547.   8  9  1  0  0  0  0
    1548. 

  1548.   8 11  2  0  0  0  0
    1549. 

  1549.   9 12  1  0  0  0  0
    1550. 

  1550.   9 10  1  0  0  0  0
    1551. 

  1551.   9 28  1  0  0  0  0
    1552. 

  1552.  12 18  1  0  0  0  0
    1553. 

  1553.  12 13  1  0  0  0  0
    1554. 

  1554.  12 19  1  0  0  0  0
    1555. 

  1555.  13 15  1  0  0  0  0
    1556. 

  1556.  13 14  1  0  0  0  0
    1557. 

  1557.  13 16  1  0  0  0  0
    1558. 

  1558.  16 17  1  0  0  0  0
    1559. 

  1559.  17 31  1  0  0  0  0
    1560. 

  1560.  17 39  2  0  0  0  0
    1561. 

  1561.  19 21  1  0  0  0  0
    1562. 

  1562.  19 20  1  0  0  0  0
    1563. 

  1563.  19 22  1  0  0  0  0
    1564. 

  1564.  22 24  1  0  0  0  0
    1565. 

  1565.  22 23  1  0  0  0  0
    1566. 

  1566.  22 25  1  0  0  0  0
    1567. 

  1567.  25 27  1  0  0  0  0
    1568. 

  1568.  25 26  1  0  0  0  0
    1569. 

  1569.  25 28  1  0  0  0  0
    1570. 

  1570.  28 29  1  0  0  0  0
    1571. 

  1571.  28 30  1  0  0  0  0
    1572. 

  1572.  31 32  1  0  0  0  0
    1573. 

  1573.  31 33  2  0  0  0  0
    1574. 

  1574.  33 34  1  0  0  0  0
    1575. 

  1575.  33 35  1  0  0  0  0
    1576. 

  1576.  35 36  1  0  0  0  0
    1577. 

  1577.  35 37  2  0  0  0  0
    1578. 

  1578.  37 38  1  0  0  0  0
    1579. 

  1579.  37 39  1  0  0  0  0
    1580. 

  1580.  39 40  1  0  0  0  0
    1581. 

  1581. M  END
    1582. 

  1582. >  <ID>
    1583. 

  1583. Oue12c
    1584. 

  1584. 

  1585. >  <Cathepsin L nM>
    1586. 

  1586. 3600
    1587. 

  1587. 

  1588. >  <Cathepsin B nM>
    1589. 

  1589. 102000
    1590. 

  1590. 

  1591. > <FP:MACCS>
    1592. 

  1592. 41 59 64 79 81 82 87 88 90 91 92 100 103 107 110 111 117 118 128 129 134 138 142 145 147 150 151 153 154 155 156 158 161 162 163 164 165
    1593. 

  1593. 

  1594. $$$$
    1595. 

  1595. Oue12f
    1596. 

  1596.   MOE2005           2D
    1597. 

  1597. 

  1598.  44 45  0  0  1  0  0  0  0  0999 V2000
    1599. 

  1599.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1600. 

  1600.     1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1601. 

  1601.     3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1602. 

  1602.     2.7920   -1.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1603. 

  1603.     4.1280   -0.4110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1604. 

  1604.     3.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1605. 

  1605.     3.1500    2.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1606. 

  1606.     5.2500    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1607. 

  1607.     6.0000    2.5980    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1608. 

  1608.     4.8000    2.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1609. 

  1609.     6.0000   -0.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1610. 

  1610.     7.5000    2.5970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1611. 

  1611.     8.2500    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1612. 

  1612.     7.1220    0.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1613. 

  1613.     8.4580    0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1614. 

  1614.     9.7500    1.2980    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1615. 

  1615.    10.5000   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1616. 

  1616.     8.7000    2.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1617. 

  1617.     8.2500    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1618. 

  1618.     9.1700    3.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1619. 

  1619.     9.1700    4.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1620. 

  1620.     7.5000    5.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1621. 

  1621.     8.6280    5.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1622. 

  1622.     7.2920    6.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1623. 

  1623.     6.0000    5.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1624. 

  1624.     6.2090    6.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1625. 

  1625.     4.8730    5.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1626. 

  1626.     5.2500    3.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1627. 

  1627.     4.3310    3.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1628. 

  1628.     4.3310    4.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1629. 

  1629.     9.7500   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1630. 

  1630.     8.5500   -1.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1631. 

  1631.    10.5000   -2.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1632. 

  1632.     9.9000   -3.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1633. 

  1633.    12.0000   -2.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1634. 

  1634.    12.6000   -3.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1635. 

  1635.    12.7500   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1636. 

  1636.    14.2500   -1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1637. 

  1637.    15.0000   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1638. 

  1638.    13.9600   -3.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1639. 

  1639.    15.6000   -3.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1640. 

  1640.    16.0390   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1641. 

  1641.    12.0000   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1642. 

  1642.    12.6000    1.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1643. 

  1643.   1  2  3  0  0  0  0
    1644. 

  1644.   2  3  1  0  0  0  0
    1645. 

  1645.   3  5  1  0  0  0  0
    1646. 

  1646.   3  4  1  0  0  0  0
    1647. 

  1647.   3  6  1  0  0  0  0
    1648. 

  1648.   6  7  1  0  0  0  0
    1649. 

  1649.   6  8  1  0  0  0  0
    1650. 

  1650.   8  9  1  0  0  0  0
    1651. 

  1651.   8 11  2  0  0  0  0
    1652. 

  1652.   9 12  1  0  0  0  0
    1653. 

  1653.   9 10  1  0  0  0  0
    1654. 

  1654.   9 28  1  0  0  0  0
    1655. 

  1655.  12 18  1  0  0  0  0
    1656. 

  1656.  12 13  1  0  0  0  0
    1657. 

  1657.  12 19  1  0  0  0  0
    1658. 

  1658.  13 15  1  0  0  0  0
    1659. 

  1659.  13 14  1  0  0  0  0
    1660. 

  1660.  13 16  1  0  0  0  0
    1661. 

  1661.  16 17  1  0  0  0  0
    1662. 

  1662.  17 31  1  0  0  0  0
    1663. 

  1663.  17 43  2  0  0  0  0
    1664. 

  1664.  19 21  1  0  0  0  0
    1665. 

  1665.  19 20  1  0  0  0  0
    1666. 

  1666.  19 22  1  0  0  0  0
    1667. 

  1667.  22 24  1  0  0  0  0
    1668. 

  1668.  22 23  1  0  0  0  0
    1669. 

  1669.  22 25  1  0  0  0  0
    1670. 

  1670.  25 27  1  0  0  0  0
    1671. 

  1671.  25 26  1  0  0  0  0
    1672. 

  1672.  25 28  1  0  0  0  0
    1673. 

  1673.  28 29  1  0  0  0  0
    1674. 

  1674.  28 30  1  0  0  0  0
    1675. 

  1675.  31 32  1  0  0  0  0
    1676. 

  1676.  31 33  2  0  0  0  0
    1677. 

  1677.  33 34  1  0  0  0  0
    1678. 

  1678.  33 35  1  0  0  0  0
    1679. 

  1679.  35 36  1  0  0  0  0
    1680. 

  1680.  35 37  2  0  0  0  0
    1681. 

  1681.  37 38  1  0  0  0  0
    1682. 

  1682.  37 43  1  0  0  0  0
    1683. 

  1683.  38 39  1  0  0  0  0
    1684. 

  1684.  39 41  1  0  0  0  0
    1685. 

  1685.  39 40  1  0  0  0  0
    1686. 

  1686.  39 42  1  0  0  0  0
    1687. 

  1687.  43 44  1  0  0  0  0
    1688. 

  1688. M  END
    1689. 

  1689. >  <ID>
    1690. 

  1690. Oue12f
    1691. 

  1691. 

  1692. >  <Cathepsin L nM>
    1693. 

  1693. 9240
    1694. 

  1694. 

  1695. >  <Cathepsin B nM>
    1696. 

  1696. 100800
    1697. 

  1697. 

  1698. > <FP:MACCS>
    1699. 

  1699. 41 59 64 79 81 82 88 90 91 92 93 100 110 111 117 118 128 129 138 142 145 147 150 151 153 154 155 156 158 160 161 162 163 164 165
    1700. 

  1700. 

  1701. $$$$
    1702. 

  1702. Oue12j
    1703. 

  1703.   MOE2005           2D
    1704. 

  1704. 

  1705.  42 43  0  0  1  0  0  0  0  0999 V2000
    1706. 

  1706.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1707. 

  1707.     1.5000    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1708. 

  1708.     3.0000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1709. 

  1709.     2.7940   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1710. 

  1710.     4.1280   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1711. 

  1711.     3.7480    1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1712. 

  1712.     3.1460    2.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1713. 

  1713.     5.2480    1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1714. 

  1714.     5.9950    2.6090    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1715. 

  1715.     4.7950    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1716. 

  1716.     6.0000    0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1717. 

  1717.     7.4950    2.6120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1718. 

  1718.     8.2480    1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1719. 

  1719.     7.1210    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1720. 

  1720.     8.4580    0.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1721. 

  1721.     9.7480    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1722. 

  1722.    10.5000    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1723. 

  1723.     8.6950    2.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1724. 

  1724.     8.2430    3.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1725. 

  1725.     9.1640    3.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1726. 

  1726.     9.1610    4.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1727. 

  1727.     7.4900    5.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1728. 

  1728.     8.6170    5.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1729. 

  1729.     7.2800    6.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1730. 

  1730.     5.9900    5.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1731. 

  1731.     6.1970    6.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1732. 

  1732.     4.8620    5.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1733. 

  1733.     5.2430    3.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1734. 

  1734.     4.3250    3.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1735. 

  1735.     4.3220    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1736. 

  1736.     9.7520   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1737. 

  1737.     8.5520   -1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1738. 

  1738.    10.5050   -2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1739. 

  1739.     9.9070   -3.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1740. 

  1740.    12.0050   -2.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1741. 

  1741.    12.6070   -3.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1742. 

  1742.    12.7520   -1.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1743. 

  1743.    14.2520   -1.2730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1744. 

  1744.    14.8540   -2.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1745. 

  1745.    14.8500   -0.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1746. 

  1746.    12.0000    0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1747. 

  1747.    12.5980    1.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1748. 

  1748.   1  2  3  0  0  0  0
    1749. 

  1749.   2  3  1  0  0  0  0
    1750. 

  1750.   3  5  1  0  0  0  0
    1751. 

  1751.   3  4  1  0  0  0  0
    1752. 

  1752.   3  6  1  0  0  0  0
    1753. 

  1753.   6  7  1  0  0  0  0
    1754. 

  1754.   6  8  1  0  0  0  0
    1755. 

  1755.   8  9  1  0  0  0  0
    1756. 

  1756.   8 11  2  0  0  0  0
    1757. 

  1757.   9 12  1  0  0  0  0
    1758. 

  1758.   9 10  1  0  0  0  0
    1759. 

  1759.   9 28  1  0  0  0  0
    1760. 

  1760.  12 18  1  0  0  0  0
    1761. 

  1761.  12 13  1  0  0  0  0
    1762. 

  1762.  12 19  1  0  0  0  0
    1763. 

  1763.  13 15  1  0  0  0  0
    1764. 

  1764.  13 14  1  0  0  0  0
    1765. 

  1765.  13 16  1  0  0  0  0
    1766. 

  1766.  16 17  1  0  0  0  0
    1767. 

  1767.  17 31  1  0  0  0  0
    1768. 

  1768.  17 41  2  0  0  0  0
    1769. 

  1769.  19 21  1  0  0  0  0
    1770. 

  1770.  19 20  1  0  0  0  0
    1771. 

  1771.  19 22  1  0  0  0  0
    1772. 

  1772.  22 24  1  0  0  0  0
    1773. 

  1773.  22 23  1  0  0  0  0
    1774. 

  1774.  22 25  1  0  0  0  0
    1775. 

  1775.  25 27  1  0  0  0  0
    1776. 

  1776.  25 26  1  0  0  0  0
    1777. 

  1777.  25 28  1  0  0  0  0
    1778. 

  1778.  28 29  1  0  0  0  0
    1779. 

  1779.  28 30  1  0  0  0  0
    1780. 

  1780.  31 32  1  0  0  0  0
    1781. 

  1781.  31 33  2  0  0  0  0
    1782. 

  1782.  33 34  1  0  0  0  0
    1783. 

  1783.  33 35  1  0  0  0  0
    1784. 

  1784.  35 36  1  0  0  0  0
    1785. 

  1785.  35 37  2  0  0  0  0
    1786. 

  1786.  37 38  1  0  0  0  0
    1787. 

  1787.  37 41  1  0  0  0  0
    1788. 

  1788.  38 39  1  0  0  0  0
    1789. 

  1789.  38 40  1  0  0  0  0
    1790. 

  1790.  41 42  1  0  0  0  0
    1791. 

  1791. M  END
    1792. 

  1792. >  <ID>
    1793. 

  1793. Oue12j
    1794. 

  1794. 

  1795. >  <Cathepsin L nM>
    1796. 

  1796. 35000
    1797. 

  1797. 

  1798. >  <Cathepsin B nM>
    1799. 

  1799. 99000
    1800. 

  1800. 

  1801. > <FP:MACCS>
    1802. 

  1802. 41 59 64 79 81 82 84 88 90 91 92 100 110 111 117 118 128 129 131 133 135 138 142 145 147 150 151 153 154 155 156 158 161 162 163 164 165
    1803. 

  1803. 

  1804. $$$$
    1805. 

  1805. Oue12e
    1806. 

  1806.   MOE2005           2D
    1807. 

  1807. 

  1808.  40 41  0  0  1  0  0  0  0  0999 V2000
    1809. 

  1809.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1810. 

  1810.     1.5000    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1811. 

  1811.     3.0000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1812. 

  1812.     2.7940   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1813. 

  1813.     4.1280   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1814. 

  1814.     3.7480    1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1815. 

  1815.     3.1460    2.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1816. 

  1816.     5.2480    1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1817. 

  1817.     5.9950    2.6090    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1818. 

  1818.     4.7950    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1819. 

  1819.     6.0000    0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1820. 

  1820.     7.4950    2.6120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1821. 

  1821.     8.2480    1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1822. 

  1822.     7.1210    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1823. 

  1823.     8.4580    0.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1824. 

  1824.     9.7480    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1825. 

  1825.    10.5000    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1826. 

  1826.     8.6950    2.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1827. 

  1827.     8.2430    3.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1828. 

  1828.     9.1640    3.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1829. 

  1829.     9.1610    4.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1830. 

  1830.     7.4900    5.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1831. 

  1831.     8.6170    5.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1832. 

  1832.     7.2800    6.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1833. 

  1833.     5.9900    5.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1834. 

  1834.     6.1970    6.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1835. 

  1835.     4.8620    5.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1836. 

  1836.     5.2430    3.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1837. 

  1837.     4.3250    3.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1838. 

  1838.     4.3220    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1839. 

  1839.     9.7520   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1840. 

  1840.     8.5520   -1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1841. 

  1841.    10.5050   -2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1842. 

  1842.     9.9070   -3.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1843. 

  1843.    12.0050   -2.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1844. 

  1844.    12.6070   -3.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1845. 

  1845.    12.7520   -1.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1846. 

  1846.    14.2520   -1.2730    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1847. 

  1847.    12.0000    0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1848. 

  1848.    12.5980    1.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1849. 

  1849.   1  2  3  0  0  0  0
    1850. 

  1850.   2  3  1  0  0  0  0
    1851. 

  1851.   3  5  1  0  0  0  0
    1852. 

  1852.   3  4  1  0  0  0  0
    1853. 

  1853.   3  6  1  0  0  0  0
    1854. 

  1854.   6  7  1  0  0  0  0
    1855. 

  1855.   6  8  1  0  0  0  0
    1856. 

  1856.   8  9  1  0  0  0  0
    1857. 

  1857.   8 11  2  0  0  0  0
    1858. 

  1858.   9 12  1  0  0  0  0
    1859. 

  1859.   9 10  1  0  0  0  0
    1860. 

  1860.   9 28  1  0  0  0  0
    1861. 

  1861.  12 18  1  0  0  0  0
    1862. 

  1862.  12 13  1  0  0  0  0
    1863. 

  1863.  12 19  1  0  0  0  0
    1864. 

  1864.  13 15  1  0  0  0  0
    1865. 

  1865.  13 14  1  0  0  0  0
    1866. 

  1866.  13 16  1  0  0  0  0
    1867. 

  1867.  16 17  1  0  0  0  0
    1868. 

  1868.  17 31  1  0  0  0  0
    1869. 

  1869.  17 39  2  0  0  0  0
    1870. 

  1870.  19 21  1  0  0  0  0
    1871. 

  1871.  19 20  1  0  0  0  0
    1872. 

  1872.  19 22  1  0  0  0  0
    1873. 

  1873.  22 24  1  0  0  0  0
    1874. 

  1874.  22 23  1  0  0  0  0
    1875. 

  1875.  22 25  1  0  0  0  0
    1876. 

  1876.  25 27  1  0  0  0  0
    1877. 

  1877.  25 26  1  0  0  0  0
    1878. 

  1878.  25 28  1  0  0  0  0
    1879. 

  1879.  28 29  1  0  0  0  0
    1880. 

  1880.  28 30  1  0  0  0  0
    1881. 

  1881.  31 32  1  0  0  0  0
    1882. 

  1882.  31 33  2  0  0  0  0
    1883. 

  1883.  33 34  1  0  0  0  0
    1884. 

  1884.  33 35  1  0  0  0  0
    1885. 

  1885.  35 36  1  0  0  0  0
    1886. 

  1886.  35 37  2  0  0  0  0
    1887. 

  1887.  37 38  1  0  0  0  0
    1888. 

  1888.  37 39  1  0  0  0  0
    1889. 

  1889.  39 40  1  0  0  0  0
    1890. 

  1890. M  END
    1891. 

  1891. >  <ID>
    1892. 

  1892. Oue12e
    1893. 

  1893. 

  1894. >  <Cathepsin L nM>
    1895. 

  1895. 884
    1896. 

  1896. 

  1897. >  <Cathepsin B nM>
    1898. 

  1898. 98600
    1899. 

  1899. 

  1900. > <FP:MACCS>
    1901. 

  1901. 27 41 59 64 79 81 82 87 88 90 91 92 100 107 110 111 117 118 128 129 134 138 142 145 147 150 151 153 154 155 156 158 161 162 163 164 165
    1902. 

  1902. 

  1903. $$$$
    1904. 

  1904. Oue12i
    1905. 

  1905.   MOE2005           2D
    1906. 

  1906. 

  1907.  44 45  0  0  1  0  0  0  0  0999 V2000
    1908. 

  1908.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1909. 

  1909.     1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1910. 

  1910.     3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1911. 

  1911.     2.7920   -1.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1912. 

  1912.     4.1280   -0.4110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1913. 

  1913.     3.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1914. 

  1914.     3.1500    2.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1915. 

  1915.     5.2500    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1916. 

  1916.     6.0000    2.5980    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1917. 

  1917.     4.8000    2.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1918. 

  1918.     6.0000   -0.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1919. 

  1919.     7.5000    2.5970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1920. 

  1920.     8.2500    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1921. 

  1921.     7.1220    0.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1922. 

  1922.     8.4580    0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1923. 

  1923.     9.7500    1.2980    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1924. 

  1924.    10.5000   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1925. 

  1925.     8.7000    2.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1926. 

  1926.     8.2500    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1927. 

  1927.     9.1700    3.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1928. 

  1928.     9.1700    4.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1929. 

  1929.     7.5000    5.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1930. 

  1930.     8.6280    5.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1931. 

  1931.     7.2920    6.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1932. 

  1932.     6.0000    5.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1933. 

  1933.     6.2090    6.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1934. 

  1934.     4.8730    5.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1935. 

  1935.     5.2500    3.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1936. 

  1936.     4.3310    3.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1937. 

  1937.     4.3310    4.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1938. 

  1938.     9.7500   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1939. 

  1939.     8.5500   -1.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1940. 

  1940.    10.5000   -2.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1941. 

  1941.     9.9000   -3.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1942. 

  1942.    12.0000   -2.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1943. 

  1943.    12.6000   -3.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1944. 

  1944.    12.7500   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1945. 

  1945.    14.2500   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1946. 

  1946.    15.0000   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1947. 

  1947.    13.9600   -3.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1948. 

  1948.    15.6000   -3.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1949. 

  1949.    16.0390   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1950. 

  1950.    12.0000   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1951. 

  1951.    12.6000    1.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1952. 

  1952.   1  2  3  0  0  0  0
    1953. 

  1953.   2  3  1  0  0  0  0
    1954. 

  1954.   3  5  1  0  0  0  0
    1955. 

  1955.   3  4  1  0  0  0  0
    1956. 

  1956.   3  6  1  0  0  0  0
    1957. 

  1957.   6  7  1  0  0  0  0
    1958. 

  1958.   6  8  1  0  0  0  0
    1959. 

  1959.   8  9  1  0  0  0  0
    1960. 

  1960.   8 11  2  0  0  0  0
    1961. 

  1961.   9 12  1  0  0  0  0
    1962. 

  1962.   9 10  1  0  0  0  0
    1963. 

  1963.   9 28  1  0  0  0  0
    1964. 

  1964.  12 18  1  0  0  0  0
    1965. 

  1965.  12 13  1  0  0  0  0
    1966. 

  1966.  12 19  1  0  0  0  0
    1967. 

  1967.  13 15  1  0  0  0  0
    1968. 

  1968.  13 14  1  0  0  0  0
    1969. 

  1969.  13 16  1  0  0  0  0
    1970. 

  1970.  16 17  1  0  0  0  0
    1971. 

  1971.  17 31  1  0  0  0  0
    1972. 

  1972.  17 43  2  0  0  0  0
    1973. 

  1973.  19 21  1  0  0  0  0
    1974. 

  1974.  19 20  1  0  0  0  0
    1975. 

  1975.  19 22  1  0  0  0  0
    1976. 

  1976.  22 24  1  0  0  0  0
    1977. 

  1977.  22 23  1  0  0  0  0
    1978. 

  1978.  22 25  1  0  0  0  0
    1979. 

  1979.  25 27  1  0  0  0  0
    1980. 

  1980.  25 26  1  0  0  0  0
    1981. 

  1981.  25 28  1  0  0  0  0
    1982. 

  1982.  28 29  1  0  0  0  0
    1983. 

  1983.  28 30  1  0  0  0  0
    1984. 

  1984.  31 32  1  0  0  0  0
    1985. 

  1985.  31 33  2  0  0  0  0
    1986. 

  1986.  33 34  1  0  0  0  0
    1987. 

  1987.  33 35  1  0  0  0  0
    1988. 

  1988.  35 36  1  0  0  0  0
    1989. 

  1989.  35 37  2  0  0  0  0
    1990. 

  1990.  37 38  1  0  0  0  0
    1991. 

  1991.  37 43  1  0  0  0  0
    1992. 

  1992.  38 39  1  0  0  0  0
    1993. 

  1993.  39 41  1  0  0  0  0
    1994. 

  1994.  39 40  1  0  0  0  0
    1995. 

  1995.  39 42  1  0  0  0  0
    1996. 

  1996.  43 44  1  0  0  0  0
    1997. 

  1997. M  END
    1998. 

  1998. >  <ID>
    1999. 

  1999. Oue12i
    2000. 

  2000. 

  2001. >  <Cathepsin L nM>
    2002. 

  2002. 22680
    2003. 

  2003. 

  2004. >  <Cathepsin B nM>
    2005. 

  2005. 98000
    2006. 

  2006. 

  2007. > <FP:MACCS>
    2008. 

  2008. 41 59 64 79 81 82 88 90 91 92 93 100 110 111 113 117 118 126 128 129 138 142 143 145 147 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    2009. 

  2009. 

  2010. $$$$
    2011. 

  2011. Per_11
    2012. 

  2012.   MOE2005           2D
    2013. 

  2013. 

  2014.  59 61  0  0  1  0  0  0  0  0999 V2000
    2015. 

  2015.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2016. 

  2016.    -1.2970    0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2017. 

  2017.    -2.5980    0.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2018. 

  2018.    -1.2920    2.2540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2019. 

  2019.    -2.5890    3.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2020. 

  2020.    -2.5850    4.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2021. 

  2021.    -2.5800    6.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2022. 

  2022.    -0.0040   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2023. 

  2023.    -1.3060   -2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2024. 

  2024.    -2.6020   -1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2025. 

  2025.    -1.3100   -3.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2026. 

  2026.     1.3010    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2027. 

  2027.     2.5980   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2028. 

  2028.     3.8990    0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2029. 

  2029.     3.9040    2.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2030. 

  2030.     2.6070    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2031. 

  2031.     1.3060    2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2032. 

  2032.     5.1960   -0.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2033. 

  2033.     6.4880   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2034. 

  2034.     7.7900   -1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2035. 

  2035.     7.7940   -0.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2036. 

  2036.     6.4970    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2037. 

  2037.     5.1920   -1.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2038. 

  2038.    10.3790   -4.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2039. 

  2039.    11.6850   -2.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2040. 

  2040.    10.3880   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2041. 

  2041.     9.0820   -3.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2042. 

  2042.     9.0870   -2.2770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2043. 

  2043.    11.6800   -3.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2044. 

  2044.     1.0390   -0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2045. 

  2045.    -0.2510    2.8510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2046. 

  2046.    -3.0030    1.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2047. 

  2047.    -3.7700    3.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2048. 

  2048.     1.1780   -1.2950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2049. 

  2049.     0.4030   -2.6290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2050. 

  2050.    -2.3450   -2.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2051. 

  2051.    -1.9990   -0.4550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2052. 

  2052.    -3.6400   -0.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2053. 

  2053.    -3.2060   -2.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2054. 

  2054.    -2.5100   -3.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2055. 

  2055.    -1.3140   -4.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2056. 

  2056.    -0.1100   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2057. 

  2057.     2.5940   -1.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2058. 

  2058.     4.9450    2.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2059. 

  2059.     2.6100    4.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2060. 

  2060.     0.2680    2.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2061. 

  2061.     6.4850   -3.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2062. 

  2062.     8.8350    0.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2063. 

  2063.     6.5010    1.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2064. 

  2064.     4.1510   -2.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2065. 

  2065.     9.6050   -5.4480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2066. 

  2066.    11.1480   -5.4520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2067. 

  2067.    12.0980   -1.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2068. 

  2068.    12.8660   -2.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2069. 

  2069.    11.1620   -0.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2070. 

  2070.     9.6190   -0.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2071. 

  2071.     8.6680   -4.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2072. 

  2072.     7.9010   -3.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2073. 

  2073.    12.7180   -4.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2074. 

  2074.   1 30  1  6  0  0  0
    2075. 

  2075.   1 12  1  0  0  0  0
    2076. 

  2076.   1  8  1  1  0  0  0
    2077. 

  2077.   1  2  1  0  0  0  0
    2078. 

  2078.   2  3  2  0  0  0  0
    2079. 

  2079.   2  4  1  0  0  0  0
    2080. 

  2080.   4  5  1  0  0  0  0
    2081. 

  2081.   4 31  1  0  0  0  0
    2082. 

  2082.   5 32  1  0  0  0  0
    2083. 

  2083.   5  6  1  0  0  0  0
    2084. 

  2084.   5 33  1  0  0  0  0
    2085. 

  2085.   6  7  3  0  0  0  0
    2086. 

  2086.   8 34  1  0  0  0  0
    2087. 

  2087.   8  9  1  0  0  0  0
    2088. 

  2088.   8 35  1  0  0  0  0
    2089. 

  2089.   9 11  1  0  0  0  0
    2090. 

  2090.   9 10  1  0  0  0  0
    2091. 

  2091.   9 36  1  0  0  0  0
    2092. 

  2092.  10 38  1  0  0  0  0
    2093. 

  2093.  10 37  1  0  0  0  0
    2094. 

  2094.  10 39  1  0  0  0  0
    2095. 

  2095.  11 41  1  0  0  0  0
    2096. 

  2096.  11 40  1  0  0  0  0
    2097. 

  2097.  11 42  1  0  0  0  0
    2098. 

  2098.  12 13  1  0  0  0  0
    2099. 

  2099.  12 17  2  0  0  0  0
    2100. 

  2100.  13 14  2  0  0  0  0
    2101. 

  2101.  13 43  1  0  0  0  0
    2102. 

  2102.  14 15  1  0  0  0  0
    2103. 

  2103.  14 18  1  0  0  0  0
    2104. 

  2104.  15 16  2  0  0  0  0
    2105. 

  2105.  15 44  1  0  0  0  0
    2106. 

  2106.  16 45  1  0  0  0  0
    2107. 

  2107.  16 17  1  0  0  0  0
    2108. 

  2108.  17 46  1  0  0  0  0
    2109. 

  2109.  18 22  2  0  0  0  0
    2110. 

  2110.  18 23  1  0  0  0  0
    2111. 

  2111.  19 20  1  0  0  0  0
    2112. 

  2112.  19 47  1  0  0  0  0
    2113. 

  2113.  19 23  2  0  0  0  0
    2114. 

  2114.  20 21  2  0  0  0  0
    2115. 

  2115.  20 28  1  0  0  0  0
    2116. 

  2116.  21 22  1  0  0  0  0
    2117. 

  2117.  21 48  1  0  0  0  0
    2118. 

  2118.  22 49  1  0  0  0  0
    2119. 

  2119.  23 50  1  0  0  0  0
    2120. 

  2120.  24 29  1  0  0  0  0
    2121. 

  2121.  24 51  1  0  0  0  0
    2122. 

  2122.  24 52  1  0  0  0  0
    2123. 

  2123.  24 27  1  0  0  0  0
    2124. 

  2124.  25 26  1  0  0  0  0
    2125. 

  2125.  25 53  1  0  0  0  0
    2126. 

  2126.  25 29  1  0  0  0  0
    2127. 

  2127.  25 54  1  0  0  0  0
    2128. 

  2128.  26 28  1  0  0  0  0
    2129. 

  2129.  26 55  1  0  0  0  0
    2130. 

  2130.  26 56  1  0  0  0  0
    2131. 

  2131.  27 28  1  0  0  0  0
    2132. 

  2132.  27 57  1  0  0  0  0
    2133. 

  2133.  27 58  1  0  0  0  0
    2134. 

  2134.  29 59  1  0  0  0  0
    2135. 

  2135. M  END
    2136. 

  2136. >  <ID>
    2137. 

  2137. Per_11
    2138. 

  2138. 

  2139. >  <Cathepsin L nM>
    2140. 

  2140. 3725
    2141. 

  2141. 

  2142. >  <Cathepsin B nM>
    2143. 

  2143. 86000
    2144. 

  2144. 

  2145. > <FP:MACCS>
    2146. 

  2146. 41 62 74 75 79 82 85 86 90 91 92 98 100 104 110 111 115 117 118 120 121 122 125 128 129 131 133 135 137 138 142 145 147 148 149 151 153 154 155 156 158 160 161 162 163 164 165
    2147. 

  2147. 

  2148. $$$$
    2149. 

  2149. Hir13a
    2150. 

  2150.   MOE2005           2D
    2151. 

  2151. 

  2152.  69 72  0  0  1  0  0  0  0  0999 V2000
    2153. 

  2153.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2154. 

  2154.    -1.5000   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2155. 

  2155.    -2.0980   -1.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2156. 

  2156.    -2.2530    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2157. 

  2157.    -3.4530    1.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2158. 

  2158.    -1.5060    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2159. 

  2159.    -2.2590    3.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2160. 

  2160.    -3.7590    3.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2161. 

  2161.    -3.7560    2.3880    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2162. 

  2162.    -3.7620    5.3880    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2163. 

  2163.    -5.2590    3.8850    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2164. 

  2164.    -0.0060    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2165. 

  2165.     0.5920    3.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2166. 

  2166.     0.7470    1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2167. 

  2167.     1.9470    1.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2168. 

  2168.     0.7530   -1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2169. 

  2169.     2.2530   -1.2940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2170. 

  2170.     3.0060   -2.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2171. 

  2171.     2.5520   -0.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2172. 

  2172.     0.0060   -2.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2173. 

  2173.     1.7090   -3.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2174. 

  2174.     1.2960   -2.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2175. 

  2175.     0.5280   -3.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2176. 

  2176.     1.7120   -4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2177. 

  2177.     0.5300   -4.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2178. 

  2178.     1.3040   -5.9730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2179. 

  2179.     3.0130   -5.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2180. 

  2180.     2.2440   -6.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2181. 

  2181.     3.7860   -6.5080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2182. 

  2182.     4.3100   -4.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2183. 

  2183.     4.7230   -5.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2184. 

  2184.     5.4920   -4.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2185. 

  2185.     4.3070   -3.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2186. 

  2186.     4.7150   -2.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2187. 

  2187.     5.4890   -3.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2188. 

  2188.     3.7530   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2189. 

  2189.     5.2530   -1.2870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2190. 

  2190.     6.0000    0.0140    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2191. 

  2191.     5.2470    1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2192. 

  2192.     5.9940    2.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2193. 

  2193.     5.2410    3.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2194. 

  2194.     6.2790    4.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2195. 

  2195.     4.6380    4.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2196. 

  2196.     4.2030    3.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2197. 

  2197.     6.9150    1.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2198. 

  2198.     6.9110    3.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2199. 

  2199.     4.3300    0.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2200. 

  2200.     4.3260    2.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2201. 

  2201.     6.6000    1.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2202. 

  2202.     5.8550   -2.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2203. 

  2203.     3.0000    0.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2204. 

  2204.     7.5000    0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2205. 

  2205.     8.2530   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2206. 

  2206.     8.2470    1.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2207. 

  2207.     7.6460   -2.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2208. 

  2208.     8.7630   -3.6530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2209. 

  2209.    10.0600   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2210. 

  2210.    11.4320   -3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2211. 

  2211.     9.7450   -1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2212. 

  2212.    11.5920   -4.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2213. 

  2213.    10.6230   -5.7060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2214. 

  2214.    12.9640   -5.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2215. 

  2215.    13.0920   -6.7980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2216. 

  2216.    14.1760   -4.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2217. 

  2217.    15.2730   -5.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2218. 

  2218.    14.0150   -3.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2219. 

  2219.    14.9840   -2.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2220. 

  2220.    12.6440   -2.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2221. 

  2221.    12.5150   -1.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2222. 

  2222.   1 16  1  0  0  0  0
    2223. 

  2223.   1 14  2  0  0  0  0
    2224. 

  2224.   1  2  1  0  0  0  0
    2225. 

  2225.   2  3  1  0  0  0  0
    2226. 

  2226.   2  4  2  0  0  0  0
    2227. 

  2227.   4  6  1  0  0  0  0
    2228. 

  2228.   4  5  1  0  0  0  0
    2229. 

  2229.   6 12  2  0  0  0  0
    2230. 

  2230.   6  7  1  0  0  0  0
    2231. 

  2231.   7  8  1  0  0  0  0
    2232. 

  2232.   8 10  1  0  0  0  0
    2233. 

  2233.   8  9  1  0  0  0  0
    2234. 

  2234.   8 11  1  0  0  0  0
    2235. 

  2235.  12 14  1  0  0  0  0
    2236. 

  2236.  12 13  1  0  0  0  0
    2237. 

  2237.  14 15  1  0  0  0  0
    2238. 

  2238.  16 17  1  0  0  0  0
    2239. 

  2239.  16 20  2  0  0  0  0
    2240. 

  2240.  17 18  1  0  0  0  0
    2241. 

  2241.  17 19  1  0  0  0  0
    2242. 

  2242.  18 33  1  0  0  0  0
    2243. 

  2243.  18 21  1  0  0  0  0
    2244. 

  2244.  18 36  1  0  0  0  0
    2245. 

  2245.  21 23  1  0  0  0  0
    2246. 

  2246.  21 22  1  0  0  0  0
    2247. 

  2247.  21 24  1  0  0  0  0
    2248. 

  2248.  24 27  1  0  0  0  0
    2249. 

  2249.  24 26  1  0  0  0  0
    2250. 

  2250.  24 25  1  0  0  0  0
    2251. 

  2251.  27 30  1  0  0  0  0
    2252. 

  2252.  27 29  1  0  0  0  0
    2253. 

  2253.  27 28  1  0  0  0  0
    2254. 

  2254.  30 33  1  0  0  0  0
    2255. 

  2255.  30 32  1  0  0  0  0
    2256. 

  2256.  30 31  1  0  0  0  0
    2257. 

  2257.  33 34  1  0  0  0  0
    2258. 

  2258.  33 35  1  0  0  0  0
    2259. 

  2259.  36 37  1  0  0  0  0
    2260. 

  2260.  36 51  2  0  0  0  0
    2261. 

  2261.  37 38  1  0  0  0  0
    2262. 

  2262.  37 50  1  0  0  0  0
    2263. 

  2263.  38 49  1  0  0  0  0
    2264. 

  2264.  38 39  1  0  0  0  0
    2265. 

  2265.  38 52  1  0  0  0  0
    2266. 

  2266.  39 47  1  0  0  0  0
    2267. 

  2267.  39 40  1  0  0  0  0
    2268. 

  2268.  39 48  1  0  0  0  0
    2269. 

  2269.  40 45  1  0  0  0  0
    2270. 

  2270.  40 41  1  0  0  0  0
    2271. 

  2271.  40 46  1  0  0  0  0
    2272. 

  2272.  41 43  1  0  0  0  0
    2273. 

  2273.  41 42  1  0  0  0  0
    2274. 

  2274.  41 44  1  0  0  0  0
    2275. 

  2275.  52 53  1  0  0  0  0
    2276. 

  2276.  52 54  2  0  0  0  0
    2277. 

  2277.  53 55  2  0  0  0  0
    2278. 

  2278.  53 59  1  0  0  0  0
    2279. 

  2279.  55 56  1  0  0  0  0
    2280. 

  2280.  56 57  2  0  0  0  0
    2281. 

  2281.  57 58  1  0  0  0  0
    2282. 

  2282.  57 59  1  0  0  0  0
    2283. 

  2283.  58 60  1  0  0  0  0
    2284. 

  2284.  58 68  2  0  0  0  0
    2285. 

  2285.  60 61  1  0  0  0  0
    2286. 

  2286.  60 62  2  0  0  0  0
    2287. 

  2287.  62 63  1  0  0  0  0
    2288. 

  2288.  62 64  1  0  0  0  0
    2289. 

  2289.  64 65  1  0  0  0  0
    2290. 

  2290.  64 66  2  0  0  0  0
    2291. 

  2291.  66 67  1  0  0  0  0
    2292. 

  2292.  66 68  1  0  0  0  0
    2293. 

  2293.  68 69  1  0  0  0  0
    2294. 

  2294. M  END
    2295. 

  2295. >  <ID>
    2296. 

  2296. Hir13a
    2297. 

  2297. 

  2298. >  <Cathepsin L nM>
    2299. 

  2299. 19000
    2300. 

  2300. 

  2301. >  <Cathepsin B nM>
    2302. 

  2302. 73000
    2303. 

  2303. 

  2304. > <FP:MACCS>
    2305. 

  2305. 42 52 54 57 62 65 66 72 79 80 83 90 91 92 94 95 96 97 104 106 107 110 111 112 113 114 115 117 118 120 121 124 125 126 128 129 131 133 134 136 137 140 142 143 145 146 147 151 152 154 155 156 157 158 159 160 161 162 163 164 165
    2306. 

  2306. 

  2307. $$$$
    2308. 

  2308. Tri_05
    2309. 

  2309.   MOE2005           2D
    2310. 

  2310. 

  2311.  43 43  0  0  1  0  0  0  0  0999 V2000
    2312. 

  2312.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2313. 

  2313.     0.0080    1.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2314. 

  2314.     1.2940   -0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2315. 

  2315.     2.3370   -0.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2316. 

  2316.     1.2840   -2.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2317. 

  2317.     2.3200   -2.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2318. 

  2318.    -0.0200   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2319. 

  2319.    -0.0280   -4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2320. 

  2320.    -1.3140   -2.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2321. 

  2321.    -2.6180   -2.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2322. 

  2322.    -1.8520   -3.9070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2323. 

  2323.    -3.3950   -3.8970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2324. 

  2324.    -3.9120   -2.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2325. 

  2325.    -1.3040   -0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2326. 

  2326.    -2.3390   -0.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2327. 

  2327.    -5.2160   -2.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2328. 

  2328.    -6.5100   -2.2070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2329. 

  2329.    -6.5020   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2330. 

  2330.    -7.8140   -2.9490    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2331. 

  2331.    -7.8140   -1.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2332. 

  2332.    -7.8240   -4.4490    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2333. 

  2333.    -9.1280   -5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2334. 

  2334.    -9.5310   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2335. 

  2335.   -10.3110   -5.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2336. 

  2336.    -9.1370   -6.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2337. 

  2337.   -10.3370   -6.6820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2338. 

  2338.    -9.1450   -7.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2339. 

  2339.    -7.9370   -6.6980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2340. 

  2340.    -7.8240   -5.6490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2341. 

  2341.    -6.5300   -5.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2342. 

  2342.    -7.1360   -6.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2343. 

  2343.    -5.4940   -5.8140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2344. 

  2344.    -5.9230   -4.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2345. 

  2345.    -5.2260   -4.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2346. 

  2346.    -9.1080   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2347. 

  2347.    -9.0980   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2348. 

  2348.    -8.0550   -0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2349. 

  2349.   -10.3920    0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2350. 

  2350.   -10.8100   -1.0570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2351. 

  2351.   -11.5720    0.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2352. 

  2352.   -10.3820    1.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2353. 

  2353.   -10.3720    3.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2354. 

  2354.   -10.4120   -2.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2355. 

  2355.   1 14  2  0  0  0  0
    2356. 

  2356.   1  3  1  0  0  0  0
    2357. 

  2357.   1  2  1  0  0  0  0
    2358. 

  2358.   3  4  1  0  0  0  0
    2359. 

  2359.   3  5  2  0  0  0  0
    2360. 

  2360.   5  7  1  0  0  0  0
    2361. 

  2361.   5  6  1  0  0  0  0
    2362. 

  2362.   7  9  2  0  0  0  0
    2363. 

  2363.   7  8  1  0  0  0  0
    2364. 

  2364.   9 14  1  0  0  0  0
    2365. 

  2365.   9 10  1  0  0  0  0
    2366. 

  2366.  10 12  1  0  0  0  0
    2367. 

  2367.  10 11  1  0  0  0  0
    2368. 

  2368.  10 13  1  0  0  0  0
    2369. 

  2369.  13 16  1  0  0  0  0
    2370. 

  2370.  14 15  1  0  0  0  0
    2371. 

  2371.  16 17  1  0  0  0  0
    2372. 

  2372.  16 34  2  0  0  0  0
    2373. 

  2373.  17 18  1  0  0  0  0
    2374. 

  2374.  17 19  1  0  0  0  0
    2375. 

  2375.  19 21  1  0  0  0  0
    2376. 

  2376.  19 20  1  0  0  0  0
    2377. 

  2377.  19 35  1  0  0  0  0
    2378. 

  2378.  21 29  1  0  0  0  0
    2379. 

  2379.  21 22  1  0  0  0  0
    2380. 

  2380.  21 30  1  0  0  0  0
    2381. 

  2381.  22 24  1  0  0  0  0
    2382. 

  2382.  22 23  1  0  0  0  0
    2383. 

  2383.  22 25  1  0  0  0  0
    2384. 

  2384.  25 27  1  0  0  0  0
    2385. 

  2385.  25 26  1  0  0  0  0
    2386. 

  2386.  25 28  1  0  0  0  0
    2387. 

  2387.  30 32  1  0  0  0  0
    2388. 

  2388.  30 31  1  0  0  0  0
    2389. 

  2389.  30 33  1  0  0  0  0
    2390. 

  2390.  35 36  1  0  0  0  0
    2391. 

  2391.  35 43  2  0  0  0  0
    2392. 

  2392.  36 37  1  0  0  0  0
    2393. 

  2393.  36 38  1  0  0  0  0
    2394. 

  2394.  38 40  1  0  0  0  0
    2395. 

  2395.  38 39  1  0  0  0  0
    2396. 

  2396.  38 41  1  0  0  0  0
    2397. 

  2397.  41 42  3  0  0  0  0
    2398. 

  2398. M  END
    2399. 

  2399. >  <ID>
    2400. 

  2400. Tri_05
    2401. 

  2401. 

  2402. >  <Cathepsin L nM>
    2403. 

  2403. 25000
    2404. 

  2404. 

  2405. >  <Cathepsin B nM>
    2406. 

  2406. 70000
    2407. 

  2407. 

  2408. > <FP:MACCS>
    2409. 

  2409. 23 41 54 79 82 90 91 92 95 100 106 109 110 111 114 115 117 123 126 131 136 138 142 146 149 151 153 154 155 156 157 158 159 160 161 162 163 164 165
    2410. 

  2410. 

  2411. $$$$
    2412. 

  2412. Tri_10
    2413. 

  2413.   MOE2005           2D
    2414. 

  2414. 

  2415.  76 79  0  0  1  0  0  0  0  0999 V2000
    2416. 

  2416.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2417. 

  2417.     0.5930    1.0430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2418. 

  2418.     0.7590   -1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2419. 

  2419.     1.9590   -1.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2420. 

  2420.     0.0180   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2421. 

  2421.     0.6250   -3.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2422. 

  2422.    -1.4820   -2.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2423. 

  2423.    -2.0750   -3.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2424. 

  2424.    -2.2410   -1.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2425. 

  2425.    -3.7410   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2426. 

  2426.    -3.5240   -2.5050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2427. 

  2427.    -4.8660   -1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2428. 

  2428.    -4.5000   -0.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2429. 

  2429.    -1.5000   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2430. 

  2430.    -2.1070    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2431. 

  2431.    -6.0000   -0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2432. 

  2432.    -6.7590    1.2520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2433. 

  2433.    -6.4620    1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2434. 

  2434.    -8.2590    1.2420    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2435. 

  2435.    -9.4590    1.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2436. 

  2436.    -9.0180    2.5360    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2437. 

  2437.    -9.6180    3.5750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2438. 

  2438.   -10.5180    2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2439. 

  2439.    -8.2770    3.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2440. 

  2440.    -9.4070    4.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2441. 

  2441.    -8.0770    5.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2442. 

  2442.    -6.7770    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2443. 

  2443.    -6.0180    2.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2444. 

  2444.    -7.0530    1.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2445. 

  2445.    -5.4110    1.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2446. 

  2446.    -4.9830    3.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2447. 

  2447.    -5.2770    3.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2448. 

  2448.    -5.2690    2.6610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2449. 

  2449.    -4.0770    3.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2450. 

  2450.    -5.2850    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2451. 

  2451.    -6.0360    5.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2452. 

  2452.    -4.9930    4.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2453. 

  2453.    -5.4430    6.1980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2454. 

  2454.    -7.0790    5.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2455. 

  2455.    -6.7410   -1.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2456. 

  2456.    -9.0000   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2457. 

  2457.    -8.2410   -1.3560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2458. 

  2458.    -7.6410   -1.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2459. 

  2459.    -8.9820   -2.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2460. 

  2460.    -9.9060   -1.8960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2461. 

  2461.    -9.8960   -3.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2462. 

  2462.    -8.2230   -3.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2463. 

  2463.    -7.4640   -5.2480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2464. 

  2464.   -10.5000   -0.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2465. 

  2465.   -11.2770    3.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2466. 

  2466.   -12.7770    3.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2467. 

  2467.   -12.5600    2.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2468. 

  2468.   -13.9020    3.3900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2469. 

  2469.   -13.5360    5.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2470. 

  2470.   -10.5360    5.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2471. 

  2471.   -12.7950    6.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2472. 

  2472.   -11.5950    6.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2473. 

  2473.   -13.5540    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2474. 

  2474.   -12.9610    8.7440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2475. 

  2475.   -15.0540    7.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2476. 

  2476.   -15.6610    8.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2477. 

  2477.   -15.7950    6.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2478. 

  2478.   -15.0360    5.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2479. 

  2479.   -17.2950    6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2480. 

  2480.   -18.0540    7.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2481. 

  2481.   -18.0360    5.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2482. 

  2482.   -17.2770    3.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2483. 

  2483.   -15.7770    3.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2484. 

  2484.   -19.5360    5.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2485. 

  2485.   -20.1430    6.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2486. 

  2486.   -20.2770    3.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2487. 

  2487.   -21.4760    3.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2488. 

  2488.   -19.5180    2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2489. 

  2489.   -20.1100    1.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2490. 

  2490.   -18.0180    2.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2491. 

  2491.   -17.4100    1.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2492. 

  2492.   1 14  2  0  0  0  0
    2493. 

  2493.   1  3  1  0  0  0  0
    2494. 

  2494.   1  2  1  0  0  0  0
    2495. 

  2495.   3  4  1  0  0  0  0
    2496. 

  2496.   3  5  2  0  0  0  0
    2497. 

  2497.   5  7  1  0  0  0  0
    2498. 

  2498.   5  6  1  0  0  0  0
    2499. 

  2499.   7  9  2  0  0  0  0
    2500. 

  2500.   7  8  1  0  0  0  0
    2501. 

  2501.   9 14  1  0  0  0  0
    2502. 

  2502.   9 10  1  0  0  0  0
    2503. 

  2503.  10 12  1  0  0  0  0
    2504. 

  2504.  10 11  1  0  0  0  0
    2505. 

  2505.  10 13  1  0  0  0  0
    2506. 

  2506.  13 16  1  0  0  0  0
    2507. 

  2507.  14 15  1  0  0  0  0
    2508. 

  2508.  16 17  1  0  0  0  0
    2509. 

  2509.  16 40  2  0  0  0  0
    2510. 

  2510.  17 18  1  0  0  0  0
    2511. 

  2511.  17 19  1  0  0  0  0
    2512. 

  2512.  19 21  1  0  0  0  0
    2513. 

  2513.  19 20  1  0  0  0  0
    2514. 

  2514.  19 41  1  0  0  0  0
    2515. 

  2515.  21 23  1  0  0  0  0
    2516. 

  2516.  21 22  1  0  0  0  0
    2517. 

  2517.  21 24  1  0  0  0  0
    2518. 

  2518.  23 50  1  0  0  0  0
    2519. 

  2519.  24 26  1  0  0  0  0
    2520. 

  2520.  24 25  1  0  0  0  0
    2521. 

  2521.  24 27  1  0  0  0  0
    2522. 

  2522.  27 32  1  0  0  0  0
    2523. 

  2523.  27 28  1  0  0  0  0
    2524. 

  2524.  27 36  1  0  0  0  0
    2525. 

  2525.  28 30  1  0  0  0  0
    2526. 

  2526.  28 29  1  0  0  0  0
    2527. 

  2527.  28 31  1  0  0  0  0
    2528. 

  2528.  32 34  1  0  0  0  0
    2529. 

  2529.  32 33  1  0  0  0  0
    2530. 

  2530.  32 35  1  0  0  0  0
    2531. 

  2531.  36 38  1  0  0  0  0
    2532. 

  2532.  36 37  1  0  0  0  0
    2533. 

  2533.  36 39  1  0  0  0  0
    2534. 

  2534.  41 42  1  0  0  0  0
    2535. 

  2535.  41 49  2  0  0  0  0
    2536. 

  2536.  42 43  1  0  0  0  0
    2537. 

  2537.  42 44  1  0  0  0  0
    2538. 

  2538.  44 46  1  0  0  0  0
    2539. 

  2539.  44 45  1  0  0  0  0
    2540. 

  2540.  44 47  1  0  0  0  0
    2541. 

  2541.  47 48  3  0  0  0  0
    2542. 

  2542.  50 51  1  0  0  0  0
    2543. 

  2543.  50 55  2  0  0  0  0
    2544. 

  2544.  51 53  1  0  0  0  0
    2545. 

  2545.  51 52  1  0  0  0  0
    2546. 

  2546.  51 54  1  0  0  0  0
    2547. 

  2547.  54 56  1  0  0  0  0
    2548. 

  2548.  54 63  2  0  0  0  0
    2549. 

  2549.  56 57  1  0  0  0  0
    2550. 

  2550.  56 58  2  0  0  0  0
    2551. 

  2551.  58 59  1  0  0  0  0
    2552. 

  2552.  58 60  1  0  0  0  0
    2553. 

  2553.  60 61  1  0  0  0  0
    2554. 

  2554.  60 62  2  0  0  0  0
    2555. 

  2555.  62 64  1  0  0  0  0
    2556. 

  2556.  62 63  1  0  0  0  0
    2557. 

  2557.  63 68  1  0  0  0  0
    2558. 

  2558.  64 65  2  0  0  0  0
    2559. 

  2559.  64 66  1  0  0  0  0
    2560. 

  2560.  66 67  1  0  0  0  0
    2561. 

  2561.  66 69  2  0  0  0  0
    2562. 

  2562.  67 68  1  0  0  0  0
    2563. 

  2563.  67 75  2  0  0  0  0
    2564. 

  2564.  69 70  1  0  0  0  0
    2565. 

  2565.  69 71  1  0  0  0  0
    2566. 

  2566.  71 73  2  0  0  0  0
    2567. 

  2567.  71 72  1  0  0  0  0
    2568. 

  2568.  73 75  1  0  0  0  0
    2569. 

  2569.  73 74  1  0  0  0  0
    2570. 

  2570.  75 76  1  0  0  0  0
    2571. 

  2571. M  END
    2572. 

  2572. >  <ID>
    2573. 

  2573. Tri_10
    2574. 

  2574. 

  2575. >  <Cathepsin L nM>
    2576. 

  2576. 23000
    2577. 

  2577. 

  2578. >  <Cathepsin B nM>
    2579. 

  2579. 63000
    2580. 

  2580. 

  2581. > <FP:MACCS>
    2582. 

  2582. 23 41 54 57 66 74 79 82 89 90 91 92 95 97 98 100 105 106 109 110 111 112 113 115 117 123 125 126 128 131 132 136 137 138 140 141 142 143 144 145 146 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    2583. 

  2583. 

  2584. $$$$
    2585. 

  2585. Hir13c
    2586. 

  2586.   MOE2005           2D
    2587. 

  2587. 

  2588.  73 76  0  0  1  0  0  0  0  0999 V2000
    2589. 

  2589.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2590. 

  2590.    -1.5000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2591. 

  2591.    -2.0960    1.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2592. 

  2592.    -2.2550   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2593. 

  2593.    -3.4550   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2594. 

  2594.    -1.5100   -2.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2595. 

  2595.    -2.2660   -3.8880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2596. 

  2596.    -3.7650   -3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2597. 

  2597.    -3.7710   -5.3820    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2598. 

  2598.    -3.7600   -2.3820    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2599. 

  2599.    -5.2650   -3.8760    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2600. 

  2600.    -0.0100   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2601. 

  2601.     0.5860   -3.6400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2602. 

  2602.     0.7450   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2603. 

  2603.     1.9450   -1.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2604. 

  2604.     0.7550    1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2605. 

  2605.     2.2550    1.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2606. 

  2606.     3.0100    2.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2607. 

  2607.     2.5530    0.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2608. 

  2608.     0.0100    2.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2609. 

  2609.     1.7140    3.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2610. 

  2610.     1.2990    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2611. 

  2611.     0.5330    3.5540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2612. 

  2612.     1.7200    4.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2613. 

  2613.     0.5380    4.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2614. 

  2614.     1.3140    5.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2615. 

  2615.     3.0220    5.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2616. 

  2616.     2.2540    6.5080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2617. 

  2617.     3.7970    6.5020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2618. 

  2618.     4.3180    4.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2619. 

  2619.     4.7330    5.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2620. 

  2620.     5.4990    4.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2621. 

  2621.     4.3120    3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2622. 

  2622.     4.7180    2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2623. 

  2623.     5.4950    3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2624. 

  2624.     3.7550    1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2625. 

  2625.     5.2550    1.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2626. 

  2626.     6.0000   -0.0240    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2627. 

  2627.     5.2450   -1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2628. 

  2628.     5.9900   -2.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2629. 

  2629.     5.2340   -3.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2630. 

  2630.     4.1980   -3.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2631. 

  2631.     4.6300   -4.9550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2632. 

  2632.     6.2710   -4.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2633. 

  2633.     6.9120   -1.8540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2634. 

  2634.     6.9060   -3.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2635. 

  2635.     4.3290   -0.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2636. 

  2636.     4.3220   -2.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2637. 

  2637.     6.6000   -1.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2638. 

  2638.     5.8590    2.3150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2639. 

  2639.     3.0000   -0.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2640. 

  2640.     7.5000   -0.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2641. 

  2641.     8.2550    1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2642. 

  2642.     8.2450   -1.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2643. 

  2643.     7.6500    2.6390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2644. 

  2644.     8.7690    3.6380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2645. 

  2645.    10.0650    2.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2646. 

  2646.    11.4380    3.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2647. 

  2647.     9.7480    1.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2648. 

  2648.    11.6010    4.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2649. 

  2649.    10.6330    5.6880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2650. 

  2650.    13.1040    6.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2651. 

  2651.    12.9730    5.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2652. 

  2652.    14.1830    4.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2653. 

  2653.    15.5560    5.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2654. 

  2654.    16.7660    4.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2655. 

  2655.    16.0570    3.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2656. 

  2656.    17.7340    3.7060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2657. 

  2657.    17.4750    5.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2658. 

  2658.    14.0210    3.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2659. 

  2659.    14.9890    2.4970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2660. 

  2660.    12.6480    2.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2661. 

  2661.    12.5180    1.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2662. 

  2662.   1 16  1  0  0  0  0
    2663. 

  2663.   1 14  2  0  0  0  0
    2664. 

  2664.   1  2  1  0  0  0  0
    2665. 

  2665.   2  3  1  0  0  0  0
    2666. 

  2666.   2  4  2  0  0  0  0
    2667. 

  2667.   4  6  1  0  0  0  0
    2668. 

  2668.   4  5  1  0  0  0  0
    2669. 

  2669.   6 12  2  0  0  0  0
    2670. 

  2670.   6  7  1  0  0  0  0
    2671. 

  2671.   7  8  1  0  0  0  0
    2672. 

  2672.   8 10  1  0  0  0  0
    2673. 

  2673.   8  9  1  0  0  0  0
    2674. 

  2674.   8 11  1  0  0  0  0
    2675. 

  2675.  12 14  1  0  0  0  0
    2676. 

  2676.  12 13  1  0  0  0  0
    2677. 

  2677.  14 15  1  0  0  0  0
    2678. 

  2678.  16 17  1  0  0  0  0
    2679. 

  2679.  16 20  2  0  0  0  0
    2680. 

  2680.  17 18  1  0  0  0  0
    2681. 

  2681.  17 19  1  0  0  0  0
    2682. 

  2682.  18 33  1  0  0  0  0
    2683. 

  2683.  18 21  1  0  0  0  0
    2684. 

  2684.  18 36  1  0  0  0  0
    2685. 

  2685.  21 23  1  0  0  0  0
    2686. 

  2686.  21 22  1  0  0  0  0
    2687. 

  2687.  21 24  1  0  0  0  0
    2688. 

  2688.  24 27  1  0  0  0  0
    2689. 

  2689.  24 26  1  0  0  0  0
    2690. 

  2690.  24 25  1  0  0  0  0
    2691. 

  2691.  27 30  1  0  0  0  0
    2692. 

  2692.  27 29  1  0  0  0  0
    2693. 

  2693.  27 28  1  0  0  0  0
    2694. 

  2694.  30 33  1  0  0  0  0
    2695. 

  2695.  30 32  1  0  0  0  0
    2696. 

  2696.  30 31  1  0  0  0  0
    2697. 

  2697.  33 34  1  0  0  0  0
    2698. 

  2698.  33 35  1  0  0  0  0
    2699. 

  2699.  36 37  1  0  0  0  0
    2700. 

  2700.  36 51  2  0  0  0  0
    2701. 

  2701.  37 38  1  0  0  0  0
    2702. 

  2702.  37 50  1  0  0  0  0
    2703. 

  2703.  38 49  1  0  0  0  0
    2704. 

  2704.  38 39  1  0  0  0  0
    2705. 

  2705.  38 52  1  0  0  0  0
    2706. 

  2706.  39 47  1  0  0  0  0
    2707. 

  2707.  39 40  1  0  0  0  0
    2708. 

  2708.  39 48  1  0  0  0  0
    2709. 

  2709.  40 45  1  0  0  0  0
    2710. 

  2710.  40 41  1  0  0  0  0
    2711. 

  2711.  40 46  1  0  0  0  0
    2712. 

  2712.  41 43  1  0  0  0  0
    2713. 

  2713.  41 42  1  0  0  0  0
    2714. 

  2714.  41 44  1  0  0  0  0
    2715. 

  2715.  52 53  1  0  0  0  0
    2716. 

  2716.  52 54  2  0  0  0  0
    2717. 

  2717.  53 55  2  0  0  0  0
    2718. 

  2718.  53 59  1  0  0  0  0
    2719. 

  2719.  55 56  1  0  0  0  0
    2720. 

  2720.  56 57  2  0  0  0  0
    2721. 

  2721.  57 58  1  0  0  0  0
    2722. 

  2722.  57 59  1  0  0  0  0
    2723. 

  2723.  58 60  1  0  0  0  0
    2724. 

  2724.  58 72  2  0  0  0  0
    2725. 

  2725.  60 61  1  0  0  0  0
    2726. 

  2726.  60 63  2  0  0  0  0
    2727. 

  2727.  62 63  1  0  0  0  0
    2728. 

  2728.  63 64  1  0  0  0  0
    2729. 

  2729.  64 65  1  0  0  0  0
    2730. 

  2730.  64 70  2  0  0  0  0
    2731. 

  2731.  65 66  1  0  0  0  0
    2732. 

  2732.  66 68  1  0  0  0  0
    2733. 

  2733.  66 67  1  0  0  0  0
    2734. 

  2734.  66 69  1  0  0  0  0
    2735. 

  2735.  70 71  1  0  0  0  0
    2736. 

  2736.  70 72  1  0  0  0  0
    2737. 

  2737.  72 73  1  0  0  0  0
    2738. 

  2738. M  END
    2739. 

  2739. >  <ID>
    2740. 

  2740. Hir13c
    2741. 

  2741. 

  2742. >  <Cathepsin L nM>
    2743. 

  2743. 37000
    2744. 

  2744. 

  2745. >  <Cathepsin B nM>
    2746. 

  2746. 57000
    2747. 

  2747. 

  2748. > <FP:MACCS>
    2749. 

  2749. 42 52 54 57 62 65 66 72 79 80 83 90 91 92 93 94 95 96 97 104 106 107 110 111 112 113 114 115 117 118 120 121 124 125 126 127 128 129 131 133 134 136 137 140 142 143 145 146 147 149 151 152 154 155 156 157 158 159 160 161 162 163 164 165
    2750. 

  2750. 

  2751. $$$$
    2752. 

  2752. Oue12g
    2753. 

  2753.   MOE2005           2D
    2754. 

  2754. 

  2755.  43 44  0  0  1  0  0  0  0  0999 V2000
    2756. 

  2756.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2757. 

  2757.     1.5000    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2758. 

  2758.     3.0000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2759. 

  2759.     2.7940   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2760. 

  2760.     4.1280   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2761. 

  2761.     3.7480    1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2762. 

  2762.     3.1460    2.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2763. 

  2763.     5.2480    1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2764. 

  2764.     5.9950    2.6090    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2765. 

  2765.     4.7950    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2766. 

  2766.     6.0000    0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2767. 

  2767.     7.4950    2.6120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2768. 

  2768.     8.2480    1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2769. 

  2769.     7.1210    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2770. 

  2770.     8.4580    0.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2771. 

  2771.     9.7480    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2772. 

  2772.    10.5000    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2773. 

  2773.     8.6950    2.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2774. 

  2774.     8.2430    3.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2775. 

  2775.     9.1640    3.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2776. 

  2776.     9.1610    4.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2777. 

  2777.     7.4900    5.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2778. 

  2778.     8.6170    5.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2779. 

  2779.     7.2800    6.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2780. 

  2780.     5.9900    5.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2781. 

  2781.     6.1970    6.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2782. 

  2782.     4.8620    5.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2783. 

  2783.     5.2430    3.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2784. 

  2784.     4.3250    3.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2785. 

  2785.     4.3220    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2786. 

  2786.     9.7520   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2787. 

  2787.     8.5520   -1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2788. 

  2788.    10.5050   -2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2789. 

  2789.     9.9070   -3.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2790. 

  2790.    12.0050   -2.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2791. 

  2791.    12.6070   -3.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2792. 

  2792.    12.7520   -1.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2793. 

  2793.    14.2520   -1.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2794. 

  2794.    14.2550   -2.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2795. 

  2795.    15.4520   -1.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2796. 

  2796.    14.2500   -0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2797. 

  2797.    12.0000    0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2798. 

  2798.    12.5980    1.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2799. 

  2799.   1  2  3  0  0  0  0
    2800. 

  2800.   2  3  1  0  0  0  0
    2801. 

  2801.   3  5  1  0  0  0  0
    2802. 

  2802.   3  4  1  0  0  0  0
    2803. 

  2803.   3  6  1  0  0  0  0
    2804. 

  2804.   6  7  1  0  0  0  0
    2805. 

  2805.   6  8  1  0  0  0  0
    2806. 

  2806.   8  9  1  0  0  0  0
    2807. 

  2807.   8 11  2  0  0  0  0
    2808. 

  2808.   9 12  1  0  0  0  0
    2809. 

  2809.   9 10  1  0  0  0  0
    2810. 

  2810.   9 28  1  0  0  0  0
    2811. 

  2811.  12 18  1  0  0  0  0
    2812. 

  2812.  12 13  1  0  0  0  0
    2813. 

  2813.  12 19  1  0  0  0  0
    2814. 

  2814.  13 15  1  0  0  0  0
    2815. 

  2815.  13 14  1  0  0  0  0
    2816. 

  2816.  13 16  1  0  0  0  0
    2817. 

  2817.  16 17  1  0  0  0  0
    2818. 

  2818.  17 31  1  0  0  0  0
    2819. 

  2819.  17 42  2  0  0  0  0
    2820. 

  2820.  19 21  1  0  0  0  0
    2821. 

  2821.  19 20  1  0  0  0  0
    2822. 

  2822.  19 22  1  0  0  0  0
    2823. 

  2823.  22 24  1  0  0  0  0
    2824. 

  2824.  22 23  1  0  0  0  0
    2825. 

  2825.  22 25  1  0  0  0  0
    2826. 

  2826.  25 27  1  0  0  0  0
    2827. 

  2827.  25 26  1  0  0  0  0
    2828. 

  2828.  25 28  1  0  0  0  0
    2829. 

  2829.  28 29  1  0  0  0  0
    2830. 

  2830.  28 30  1  0  0  0  0
    2831. 

  2831.  31 32  1  0  0  0  0
    2832. 

  2832.  31 33  2  0  0  0  0
    2833. 

  2833.  33 34  1  0  0  0  0
    2834. 

  2834.  33 35  1  0  0  0  0
    2835. 

  2835.  35 36  1  0  0  0  0
    2836. 

  2836.  35 37  2  0  0  0  0
    2837. 

  2837.  37 38  1  0  0  0  0
    2838. 

  2838.  37 42  1  0  0  0  0
    2839. 

  2839.  38 40  1  0  0  0  0
    2840. 

  2840.  38 39  1  0  0  0  0
    2841. 

  2841.  38 41  1  0  0  0  0
    2842. 

  2842.  42 43  1  0  0  0  0
    2843. 

  2843. M  END
    2844. 

  2844. >  <ID>
    2845. 

  2845. Oue12g
    2846. 

  2846. 

  2847. >  <Cathepsin L nM>
    2848. 

  2848. 11000
    2849. 

  2849. 

  2850. >  <Cathepsin B nM>
    2851. 

  2851. 38000
    2852. 

  2852. 

  2853. > <FP:MACCS>
    2854. 

  2854. 41 59 64 79 81 82 88 90 91 92 100 110 111 117 118 128 129 138 142 145 147 150 151 153 154 155 156 158 160 161 162 163 164 165
    2855. 

  2855. 

  2856. $$$$
    2857. 

  2857. Men_15
    2858. 

  2858.   MOE2005           2D
    2859. 

  2859. 

  2860.  64 65  0  0  1  0  0  0  0  0999 V2000
    2861. 

  2861.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2862. 

  2862.     1.0400    0.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2863. 

  2863.    -0.0010   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2864. 

  2864.     1.0370   -2.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2865. 

  2865.    -1.3010   -2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2866. 

  2866.    -1.3020   -3.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2867. 

  2867.    -2.6000   -1.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2868. 

  2868.    -3.6390   -2.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2869. 

  2869.    -2.5980    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2870. 

  2870.    -3.8960    0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2871. 

  2871.    -5.1960    0.0050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2872. 

  2872.    -3.1240    1.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2873. 

  2873.    -4.6670    1.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2874. 

  2874.    -1.2980    0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2875. 

  2875.    -1.2970    1.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2876. 

  2876.    -6.4940    0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2877. 

  2877.    -7.7940    0.0070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2878. 

  2878.    -9.0920    0.7590    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2879. 

  2879.    -9.0910    2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2880. 

  2880.   -10.3890    3.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2881. 

  2881.   -11.6890    2.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2882. 

  2882.   -12.2880    3.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2883. 

  2883.   -12.7290    1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2884. 

  2884.   -11.0900    1.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2885. 

  2885.   -10.3880    4.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2886. 

  2886.    -9.1880    4.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2887. 

  2887.   -10.3870    5.7100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2888. 

  2888.   -11.5880    4.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2889. 

  2889.   -11.4290    3.6100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2890. 

  2890.    -7.9100    2.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2891. 

  2891.    -8.6800    3.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2892. 

  2892.    -9.0920   -0.4410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2893. 

  2893.    -7.7950   -1.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2894. 

  2894.    -6.4930    2.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2895. 

  2895.   -10.3920    0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2896. 

  2896.   -10.3940   -1.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2897. 

  2897.   -11.6940   -2.2390    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2898. 

  2898.   -10.6540   -2.8390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2899. 

  2899.   -12.9920   -1.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2900. 

  2900.   -14.2920   -2.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2901. 

  2901.   -15.5900   -1.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2902. 

  2902.   -13.5210   -3.1560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2903. 

  2903.   -15.0640   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2904. 

  2904.   -12.2200   -0.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2905. 

  2905.   -13.7620   -0.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2906. 

  2906.    -9.3550   -2.0910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2907. 

  2907.   -11.6910    0.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2908. 

  2908.   -11.6950   -3.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2909. 

  2909.   -10.3970   -4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2910. 

  2910.    -9.9850   -3.3630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2911. 

  2911.   -12.9950   -4.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2912. 

  2912.   -16.8900   -2.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2913. 

  2913.   -16.8910   -3.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2914. 

  2914.   -18.1880   -1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2915. 

  2915.   -19.2280   -2.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2916. 

  2916.   -18.1860    0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2917. 

  2917.   -19.2250    0.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2918. 

  2918.   -16.8870    0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2919. 

  2919.   -16.8860    1.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2920. 

  2920.   -15.5880    0.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2921. 

  2921.   -14.5490    0.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2922. 

  2922.   -10.3980   -5.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2923. 

  2923.    -9.3590   -6.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2924. 

  2924.    -9.2150   -4.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2925. 

  2925.   1 14  2  0  0  0  0
    2926. 

  2926.   1  3  1  0  0  0  0
    2927. 

  2927.   1  2  1  0  0  0  0
    2928. 

  2928.   3  4  1  0  0  0  0
    2929. 

  2929.   3  5  2  0  0  0  0
    2930. 

  2930.   5  7  1  0  0  0  0
    2931. 

  2931.   5  6  1  0  0  0  0
    2932. 

  2932.   7  9  2  0  0  0  0
    2933. 

  2933.   7  8  1  0  0  0  0
    2934. 

  2934.   9 14  1  0  0  0  0
    2935. 

  2935.   9 10  1  0  0  0  0
    2936. 

  2936.  10 12  1  0  0  0  0
    2937. 

  2937.  10 11  1  0  0  0  0
    2938. 

  2938.  10 13  1  0  0  0  0
    2939. 

  2939.  11 16  1  0  0  0  0
    2940. 

  2940.  14 15  1  0  0  0  0
    2941. 

  2941.  16 17  1  0  0  0  0
    2942. 

  2942.  16 34  2  0  0  0  0
    2943. 

  2943.  17 18  1  0  0  0  0
    2944. 

  2944.  17 33  1  0  0  0  0
    2945. 

  2945.  18 32  1  0  0  0  0
    2946. 

  2946.  18 19  1  0  0  0  0
    2947. 

  2947.  18 35  1  0  0  0  0
    2948. 

  2948.  19 30  1  0  0  0  0
    2949. 

  2949.  19 20  1  0  0  0  0
    2950. 

  2950.  19 31  1  0  0  0  0
    2951. 

  2951.  20 25  1  0  0  0  0
    2952. 

  2952.  20 21  1  0  0  0  0
    2953. 

  2953.  20 29  1  0  0  0  0
    2954. 

  2954.  21 23  1  0  0  0  0
    2955. 

  2955.  21 22  1  0  0  0  0
    2956. 

  2956.  21 24  1  0  0  0  0
    2957. 

  2957.  25 27  1  0  0  0  0
    2958. 

  2958.  25 26  1  0  0  0  0
    2959. 

  2959.  25 28  1  0  0  0  0
    2960. 

  2960.  35 36  1  0  0  0  0
    2961. 

  2961.  35 47  2  0  0  0  0
    2962. 

  2962.  36 37  1  0  0  0  0
    2963. 

  2963.  36 46  1  0  0  0  0
    2964. 

  2964.  37 39  1  0  0  0  0
    2965. 

  2965.  37 38  1  0  0  0  0
    2966. 

  2966.  37 48  1  0  0  0  0
    2967. 

  2967.  39 44  1  0  0  0  0
    2968. 

  2968.  39 40  1  0  0  0  0
    2969. 

  2969.  39 45  1  0  0  0  0
    2970. 

  2970.  40 42  1  0  0  0  0
    2971. 

  2971.  40 41  1  0  0  0  0
    2972. 

  2972.  40 43  1  0  0  0  0
    2973. 

  2973.  41 52  1  0  0  0  0
    2974. 

  2974.  41 60  2  0  0  0  0
    2975. 

  2975.  48 49  1  0  0  0  0
    2976. 

  2976.  48 51  2  0  0  0  0
    2977. 

  2977.  49 62  1  0  0  0  0
    2978. 

  2978.  49 50  1  0  0  0  0
    2979. 

  2979.  49 64  1  0  0  0  0
    2980. 

  2980.  52 53  1  0  0  0  0
    2981. 

  2981.  52 54  2  0  0  0  0
    2982. 

  2982.  54 55  1  0  0  0  0
    2983. 

  2983.  54 56  1  0  0  0  0
    2984. 

  2984.  56 57  1  0  0  0  0
    2985. 

  2985.  56 58  2  0  0  0  0
    2986. 

  2986.  58 59  1  0  0  0  0
    2987. 

  2987.  58 60  1  0  0  0  0
    2988. 

  2988.  60 61  1  0  0  0  0
    2989. 

  2989.  62 63  1  0  0  0  0
    2990. 

  2990. M  END
    2991. 

  2991. >  <ID>
    2992. 

  2992. Men_15
    2993. 

  2993. 

  2994. >  <Cathepsin L nM>
    2995. 

  2995. 640
    2996. 

  2996. 

  2997. >  <Cathepsin B nM>
    2998. 

  2998. 34700
    2999. 

  2999. 

  3000. > <FP:MACCS>
    3001. 

  3001. 23 53 54 72 74 79 82 90 91 92 95 97 104 106 109 110 111 115 117 123 125 126 128 129 131 132 136 138 139 140 142 145 146 147 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    3002. 

  3002. 

  3003. $$$$
    3004. 

  3004. Men_17
    3005. 

  3005.   MOE2005           2D
    3006. 

  3006. 

  3007.  64 65  0  0  1  0  0  0  0  0999 V2000
    3008. 

  3008.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3009. 

  3009.    -0.7510   -1.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3010. 

  3010.    -2.2510   -1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3011. 

  3011.    -3.0020   -2.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3012. 

  3012.    -2.0420   -0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3013. 

  3013.    -3.3780   -0.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3014. 

  3014.     1.5000   -0.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3015. 

  3015.     2.2510    1.2970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3016. 

  3016.     2.8510    0.2580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3017. 

  3017.     1.5020    2.5970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3018. 

  3018.     0.0020    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3019. 

  3019.     0.0030    3.7980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3020. 

  3020.    -1.1980    2.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3021. 

  3021.     0.0010    1.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3022. 

  3022.     0.9020    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3023. 

  3023.     2.2530    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3024. 

  3024.     3.1720    3.1240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3025. 

  3025.     3.1730    4.6660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3026. 

  3026.     1.5040    5.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3027. 

  3027.     2.5430    5.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3028. 

  3028.     0.9040    6.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3029. 

  3029.     0.4640    4.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3030. 

  3030.     2.0990   -1.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3031. 

  3031.    -0.7490    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3032. 

  3032.     3.7510    1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3033. 

  3033.     4.5000   -0.0030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3034. 

  3034.     6.0000   -0.0040    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3035. 

  3035.     6.7490   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3036. 

  3036.     8.2490   -1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3037. 

  3037.     8.9980   -2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3038. 

  3038.     8.1450   -0.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3039. 

  3039.     9.3770   -0.8950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3040. 

  3040.     5.6210   -1.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3041. 

  3041.     6.9570   -2.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3042. 

  3042.     5.4000   -1.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3043. 

  3043.     3.8990   -1.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3044. 

  3044.     4.5020    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3045. 

  3045.     6.7510    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3046. 

  3046.     8.2510    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3047. 

  3047.     9.0020    2.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3048. 

  3048.    10.2020    2.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3049. 

  3049.     8.1460    0.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3050. 

  3050.     9.3780    0.8820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3051. 

  3051.     6.0020    2.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3052. 

  3052.    -4.5020   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3053. 

  3053.    -5.1010   -1.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3054. 

  3054.    -5.2530   -3.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3055. 

  3055.    -6.4530   -3.8920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3056. 

  3056.    -4.5040   -5.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3057. 

  3057.    -5.1040   -6.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3058. 

  3058.    -3.0040   -5.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3059. 

  3059.    -2.4040   -6.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3060. 

  3060.    -2.2530   -3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3061. 

  3061.    -1.0530   -3.8960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3062. 

  3062.     8.2470   -3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3063. 

  3063.     7.0470   -3.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3064. 

  3064.     8.9960   -5.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3065. 

  3065.     8.3960   -6.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3066. 

  3066.    10.4960   -5.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3067. 

  3067.    11.0960   -6.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3068. 

  3068.    11.2470   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3069. 

  3069.    12.4470   -3.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3070. 

  3070.    10.4980   -2.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3071. 

  3071.    11.0990   -1.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3072. 

  3072.   1 24  2  0  0  0  0
    3073. 

  3073.   1  7  1  0  0  0  0
    3074. 

  3074.   1  2  1  0  0  0  0
    3075. 

  3075.   2  3  1  0  0  0  0
    3076. 

  3076.   3  5  1  0  0  0  0
    3077. 

  3077.   3  4  1  0  0  0  0
    3078. 

  3078.   3  6  1  0  0  0  0
    3079. 

  3079.   4 45  1  0  0  0  0
    3080. 

  3080.   4 53  2  0  0  0  0
    3081. 

  3081.   7  8  1  0  0  0  0
    3082. 

  3082.   7 23  1  0  0  0  0
    3083. 

  3083.   8 10  1  0  0  0  0
    3084. 

  3084.   8  9  1  0  0  0  0
    3085. 

  3085.   8 25  1  0  0  0  0
    3086. 

  3086.  10 15  1  0  0  0  0
    3087. 

  3087.  10 11  1  0  0  0  0
    3088. 

  3088.  10 16  1  0  0  0  0
    3089. 

  3089.  11 13  1  0  0  0  0
    3090. 

  3090.  11 12  1  0  0  0  0
    3091. 

  3091.  11 14  1  0  0  0  0
    3092. 

  3092.  16 18  1  0  0  0  0
    3093. 

  3093.  16 17  1  0  0  0  0
    3094. 

  3094.  16 19  1  0  0  0  0
    3095. 

  3095.  19 21  1  0  0  0  0
    3096. 

  3096.  19 20  1  0  0  0  0
    3097. 

  3097.  19 22  1  0  0  0  0
    3098. 

  3098.  25 26  1  0  0  0  0
    3099. 

  3099.  25 37  2  0  0  0  0
    3100. 

  3100.  26 27  1  0  0  0  0
    3101. 

  3101.  26 36  1  0  0  0  0
    3102. 

  3102.  27 35  1  0  0  0  0
    3103. 

  3103.  27 28  1  0  0  0  0
    3104. 

  3104.  27 38  1  0  0  0  0
    3105. 

  3105.  28 33  1  0  0  0  0
    3106. 

  3106.  28 29  1  0  0  0  0
    3107. 

  3107.  28 34  1  0  0  0  0
    3108. 

  3108.  29 31  1  0  0  0  0
    3109. 

  3109.  29 30  1  0  0  0  0
    3110. 

  3110.  29 32  1  0  0  0  0
    3111. 

  3111.  30 55  1  0  0  0  0
    3112. 

  3112.  30 63  2  0  0  0  0
    3113. 

  3113.  38 39  1  0  0  0  0
    3114. 

  3114.  38 44  2  0  0  0  0
    3115. 

  3115.  39 42  1  0  0  0  0
    3116. 

  3116.  39 40  1  0  0  0  0
    3117. 

  3117.  39 43  1  0  0  0  0
    3118. 

  3118.  40 41  1  0  0  0  0
    3119. 

  3119.  45 46  1  0  0  0  0
    3120. 

  3120.  45 47  2  0  0  0  0
    3121. 

  3121.  47 48  1  0  0  0  0
    3122. 

  3122.  47 49  1  0  0  0  0
    3123. 

  3123.  49 50  1  0  0  0  0
    3124. 

  3124.  49 51  2  0  0  0  0
    3125. 

  3125.  51 52  1  0  0  0  0
    3126. 

  3126.  51 53  1  0  0  0  0
    3127. 

  3127.  53 54  1  0  0  0  0
    3128. 

  3128.  55 56  1  0  0  0  0
    3129. 

  3129.  55 57  2  0  0  0  0
    3130. 

  3130.  57 58  1  0  0  0  0
    3131. 

  3131.  57 59  1  0  0  0  0
    3132. 

  3132.  59 60  1  0  0  0  0
    3133. 

  3133.  59 61  2  0  0  0  0
    3134. 

  3134.  61 62  1  0  0  0  0
    3135. 

  3135.  61 63  1  0  0  0  0
    3136. 

  3136.  63 64  1  0  0  0  0
    3137. 

  3137. M  END
    3138. 

  3138. >  <ID>
    3139. 

  3139. Men_17
    3140. 

  3140. 

  3141. >  <Cathepsin L nM>
    3142. 

  3142. 3000
    3143. 

  3143. 

  3144. >  <Cathepsin B nM>
    3145. 

  3145. 32200
    3146. 

  3146. 

  3147. > <FP:MACCS>
    3148. 

  3148. 23 53 54 72 79 82 90 91 92 95 97 104 106 109 110 111 114 115 117 123 125 126 128 129 131 132 136 138 139 140 142 145 146 147 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    3149. 

  3149. 

  3150. $$$$
    3151. 

  3151. Hir13d
    3152. 

  3152.   MOE2005           2D
    3153. 

  3153. 

  3154.  72 75  0  0  1  0  0  0  0  0999 V2000
    3155. 

  3155.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3156. 

  3156.    -1.5000   -0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3157. 

  3157.    -2.1050    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3158. 

  3158.    -2.2440   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3159. 

  3159.    -3.4440   -1.3150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3160. 

  3160.    -1.4880   -2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3161. 

  3161.    -2.2310   -3.9080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3162. 

  3162.    -3.7310   -3.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3163. 

  3163.    -3.7240   -5.4150    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3164. 

  3164.    -3.7390   -2.4150    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3165. 

  3165.    -5.2310   -3.9220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3166. 

  3166.     0.0120   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3167. 

  3167.     0.6170   -3.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3168. 

  3168.     0.7560   -1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3169. 

  3169.     1.9560   -1.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3170. 

  3170.     0.7440    1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3171. 

  3171.     2.2440    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3172. 

  3172.     2.9880    2.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3173. 

  3173.     2.5460    0.7920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3174. 

  3174.    -0.0120    2.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3175. 

  3175.     1.6850    3.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3176. 

  3176.     1.2800    2.2270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3177. 

  3177.     0.5020    3.5590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3178. 

  3178.     1.6780    4.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3179. 

  3179.     0.4970    4.6420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3180. 

  3180.     1.2620    5.9820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3181. 

  3181.     2.9730    5.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3182. 

  3182.     2.1980    6.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3183. 

  3183.     3.7400    6.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3184. 

  3184.     4.2760    4.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3185. 

  3185.     4.6810    5.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3186. 

  3186.     5.4590    4.6660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3187. 

  3187.     4.2830    3.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3188. 

  3188.     4.6990    2.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3189. 

  3189.     5.4640    3.5820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3190. 

  3190.     3.7440    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3191. 

  3191.     5.2440    1.3240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3192. 

  3192.     6.0000    0.0290    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3193. 

  3193.     5.2560   -1.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3194. 

  3194.     6.0120   -2.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3195. 

  3195.     5.2680   -3.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3196. 

  3196.     4.2260   -3.2770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3197. 

  3197.     4.6730   -4.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3198. 

  3198.     6.3110   -4.4670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3199. 

  3199.     6.9280   -1.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3200. 

  3200.     6.9350   -3.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3201. 

  3201.     4.3330   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3202. 

  3202.     4.3400   -2.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3203. 

  3203.     6.6000   -1.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3204. 

  3204.     5.8390    2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3205. 

  3205.     3.0000    0.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3206. 

  3206.     7.5000    0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3207. 

  3207.     8.2440    1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3208. 

  3208.     8.2560   -1.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3209. 

  3209.     7.6270    2.7060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3210. 

  3210.     8.7370    3.7150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3211. 

  3211.    10.0400    2.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3212. 

  3212.    11.4070    3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3213. 

  3213.     9.7350    1.5020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3214. 

  3214.    11.5570    5.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3215. 

  3215.    10.5830    5.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3216. 

  3216.    13.0440    6.8910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3217. 

  3217.    15.5090    5.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3218. 

  3218.    14.8930    6.8050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3219. 

  3219.    16.8770    6.0540    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3220. 

  3220.    16.1260    4.0700    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3221. 

  3221.    12.9240    5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3222. 

  3222.    14.1420    4.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3223. 

  3223.    13.9920    3.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3224. 

  3224.    14.9660    2.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3225. 

  3225.    12.6250    2.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3226. 

  3226.    12.5050    1.5180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3227. 

  3227.   1 16  1  0  0  0  0
    3228. 

  3228.   1 14  2  0  0  0  0
    3229. 

  3229.   1  2  1  0  0  0  0
    3230. 

  3230.   2  3  1  0  0  0  0
    3231. 

  3231.   2  4  2  0  0  0  0
    3232. 

  3232.   4  6  1  0  0  0  0
    3233. 

  3233.   4  5  1  0  0  0  0
    3234. 

  3234.   6 12  2  0  0  0  0
    3235. 

  3235.   6  7  1  0  0  0  0
    3236. 

  3236.   7  8  1  0  0  0  0
    3237. 

  3237.   8 10  1  0  0  0  0
    3238. 

  3238.   8  9  1  0  0  0  0
    3239. 

  3239.   8 11  1  0  0  0  0
    3240. 

  3240.  12 14  1  0  0  0  0
    3241. 

  3241.  12 13  1  0  0  0  0
    3242. 

  3242.  14 15  1  0  0  0  0
    3243. 

  3243.  16 17  1  0  0  0  0
    3244. 

  3244.  16 20  2  0  0  0  0
    3245. 

  3245.  17 18  1  0  0  0  0
    3246. 

  3246.  17 19  1  0  0  0  0
    3247. 

  3247.  18 33  1  0  0  0  0
    3248. 

  3248.  18 21  1  0  0  0  0
    3249. 

  3249.  18 36  1  0  0  0  0
    3250. 

  3250.  21 23  1  0  0  0  0
    3251. 

  3251.  21 22  1  0  0  0  0
    3252. 

  3252.  21 24  1  0  0  0  0
    3253. 

  3253.  24 27  1  0  0  0  0
    3254. 

  3254.  24 26  1  0  0  0  0
    3255. 

  3255.  24 25  1  0  0  0  0
    3256. 

  3256.  27 30  1  0  0  0  0
    3257. 

  3257.  27 29  1  0  0  0  0
    3258. 

  3258.  27 28  1  0  0  0  0
    3259. 

  3259.  30 33  1  0  0  0  0
    3260. 

  3260.  30 32  1  0  0  0  0
    3261. 

  3261.  30 31  1  0  0  0  0
    3262. 

  3262.  33 34  1  0  0  0  0
    3263. 

  3263.  33 35  1  0  0  0  0
    3264. 

  3264.  36 37  1  0  0  0  0
    3265. 

  3265.  36 51  2  0  0  0  0
    3266. 

  3266.  37 38  1  0  0  0  0
    3267. 

  3267.  37 50  1  0  0  0  0
    3268. 

  3268.  38 49  1  0  0  0  0
    3269. 

  3269.  38 39  1  0  0  0  0
    3270. 

  3270.  38 52  1  0  0  0  0
    3271. 

  3271.  39 47  1  0  0  0  0
    3272. 

  3272.  39 40  1  0  0  0  0
    3273. 

  3273.  39 48  1  0  0  0  0
    3274. 

  3274.  40 45  1  0  0  0  0
    3275. 

  3275.  40 41  1  0  0  0  0
    3276. 

  3276.  40 46  1  0  0  0  0
    3277. 

  3277.  41 43  1  0  0  0  0
    3278. 

  3278.  41 42  1  0  0  0  0
    3279. 

  3279.  41 44  1  0  0  0  0
    3280. 

  3280.  52 53  1  0  0  0  0
    3281. 

  3281.  52 54  2  0  0  0  0
    3282. 

  3282.  53 55  2  0  0  0  0
    3283. 

  3283.  53 59  1  0  0  0  0
    3284. 

  3284.  55 56  1  0  0  0  0
    3285. 

  3285.  56 57  2  0  0  0  0
    3286. 

  3286.  57 58  1  0  0  0  0
    3287. 

  3287.  57 59  1  0  0  0  0
    3288. 

  3288.  58 60  1  0  0  0  0
    3289. 

  3289.  58 71  2  0  0  0  0
    3290. 

  3290.  60 61  1  0  0  0  0
    3291. 

  3291.  60 67  2  0  0  0  0
    3292. 

  3292.  62 67  1  0  0  0  0
    3293. 

  3293.  63 68  1  0  0  0  0
    3294. 

  3294.  63 66  1  0  0  0  0
    3295. 

  3295.  63 65  1  0  0  0  0
    3296. 

  3296.  63 64  1  0  0  0  0
    3297. 

  3297.  67 68  1  0  0  0  0
    3298. 

  3298.  68 69  2  0  0  0  0
    3299. 

  3299.  69 70  1  0  0  0  0
    3300. 

  3300.  69 71  1  0  0  0  0
    3301. 

  3301.  71 72  1  0  0  0  0
    3302. 

  3302. M  END
    3303. 

  3303. >  <ID>
    3304. 

  3304. Hir13d
    3305. 

  3305. 

  3306. >  <Cathepsin L nM>
    3307. 

  3307. 11000
    3308. 

  3308. 

  3309. >  <Cathepsin B nM>
    3310. 

  3310. 23000
    3311. 

  3311. 

  3312. > <FP:MACCS>
    3313. 

  3313. 42 52 54 57 62 65 66 72 79 80 83 90 91 92 94 95 96 97 104 106 107 110 111 112 113 114 115 117 118 120 121 124 125 126 128 129 131 133 134 136 137 140 142 143 145 146 147 151 152 154 155 156 157 158 159 160 161 162 163 164 165
    3314. 

  3314. 

  3315. $$$$
    3316. 

  3316. Edw_3d
    3317. 

  3317.   MOE2005           2D
    3318. 

  3318. 

  3319.  69 73  0  0  1  0  0  0  0  0999 V2000
    3320. 

  3320.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3321. 

  3321.     0.7450    1.3020    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3322. 

  3322.    -1.5000   -0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3323. 

  3323.    -2.1040    1.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3324. 

  3324.    -2.2450   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3325. 

  3325.    -3.4450   -1.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3326. 

  3326.    -1.4900   -2.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3327. 

  3327.    -2.2360   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3328. 

  3328.     0.0100   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3329. 

  3329.     0.6130   -3.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3330. 

  3330.     0.7550   -1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3331. 

  3331.     1.9550   -1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3332. 

  3332.    -3.7270   -4.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3333. 

  3333.    -4.0340   -5.5360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3334. 

  3334.    -5.4020   -6.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3335. 

  3335.    -4.7270   -7.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3336. 

  3336.    -6.2620   -6.9880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3337. 

  3337.    -6.6180   -5.2740    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3338. 

  3338.    -6.6180   -6.4740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3339. 

  3339.    -7.9860   -5.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3340. 

  3340.    -7.3120   -6.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3341. 

  3341.    -8.8470   -6.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3342. 

  3342.    -9.2030   -5.0120    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3343. 

  3343.    -9.2030   -6.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3344. 

  3344.    -6.4670   -3.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3345. 

  3345.    -5.3720   -3.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3346. 

  3346.    -2.7320   -6.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3347. 

  3347.    -1.6210   -5.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3348. 

  3348.    -2.4150   -7.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3349. 

  3349.    -3.6140   -7.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3350. 

  3350.    -2.5770   -8.9360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3351. 

  3351.    -0.9860   -8.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3352. 

  3352.    -1.5460   -9.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3353. 

  3353.    -0.0380   -8.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3354. 

  3354.     0.1250   -7.1980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3355. 

  3355.    -0.1920   -5.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3356. 

  3356.    -0.0300   -4.5430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3357. 

  3357.     1.0070   -5.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3358. 

  3358.     1.5530   -7.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3359. 

  3359.     2.6640   -6.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3360. 

  3360.     3.4700   -7.5370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3361. 

  3361.     3.5530   -5.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3362. 

  3362.     1.8580   -5.7600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3363. 

  3363.     1.8700   -9.1220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3364. 

  3364.    -9.0520   -3.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3365. 

  3365.    -7.8970   -3.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3366. 

  3366.    -8.5300   -2.4390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3367. 

  3367.   -10.2680   -2.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3368. 

  3368.    -9.4080   -1.8050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3369. 

  3369.   -10.9430   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3370. 

  3370.   -11.6370   -3.2570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3371. 

  3371.   -12.8530   -2.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3372. 

  3372.   -11.7880   -4.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3373. 

  3373.   -12.9430   -4.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3374. 

  3374.   -12.3100   -5.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3375. 

  3375.   -10.5710   -5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3376. 

  3376.    -9.8970   -6.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3377. 

  3377.   -11.4310   -6.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3378. 

  3378.   -12.7020   -0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3379. 

  3379.   -11.6080   -0.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3380. 

  3380.   -13.9190   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3381. 

  3381.   -13.7980    1.1840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3382. 

  3382.   -15.2870   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3383. 

  3383.   -16.2600    0.0760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3384. 

  3384.   -15.4380   -2.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3385. 

  3385.   -16.5330   -2.6100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3386. 

  3386.   -14.2210   -2.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3387. 

  3387.   -14.3730   -4.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3388. 

  3388.   -14.5240   -5.9800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3389. 

  3389.   1 11  2  0  0  0  0
    3390. 

  3390.   1  3  1  0  0  0  0
    3391. 

  3391.   1  2  1  0  0  0  0
    3392. 

  3392.   3  4  1  0  0  0  0
    3393. 

  3393.   3  5  2  0  0  0  0
    3394. 

  3394.   5  7  1  0  0  0  0
    3395. 

  3395.   5  6  1  0  0  0  0
    3396. 

  3396.   7  9  2  0  0  0  0
    3397. 

  3397.   7  8  1  0  0  0  0
    3398. 

  3398.   8 13  2  0  0  0  0
    3399. 

  3399.   8 28  1  0  0  0  0
    3400. 

  3400.   9 11  1  0  0  0  0
    3401. 

  3401.   9 10  1  0  0  0  0
    3402. 

  3402.  11 12  1  0  0  0  0
    3403. 

  3403.  13 14  1  0  0  0  0
    3404. 

  3404.  14 15  1  0  0  0  0
    3405. 

  3405.  14 27  1  0  0  0  0
    3406. 

  3406.  15 17  1  0  0  0  0
    3407. 

  3407.  15 16  1  0  0  0  0
    3408. 

  3408.  15 18  1  0  0  0  0
    3409. 

  3409.  18 20  1  0  0  0  0
    3410. 

  3410.  18 19  1  0  0  0  0
    3411. 

  3411.  18 25  1  0  0  0  0
    3412. 

  3412.  20 22  1  0  0  0  0
    3413. 

  3413.  20 21  1  0  0  0  0
    3414. 

  3414.  20 23  1  0  0  0  0
    3415. 

  3415.  23 45  1  0  0  0  0
    3416. 

  3416.  23 24  1  0  0  0  0
    3417. 

  3417.  23 56  1  0  0  0  0
    3418. 

  3418.  25 26  1  0  0  0  0
    3419. 

  3419.  27 29  1  0  0  0  0
    3420. 

  3420.  27 28  2  0  0  0  0
    3421. 

  3421.  28 36  1  0  0  0  0
    3422. 

  3422.  29 31  1  0  0  0  0
    3423. 

  3423.  29 30  1  0  0  0  0
    3424. 

  3424.  29 32  1  0  0  0  0
    3425. 

  3425.  32 34  1  0  0  0  0
    3426. 

  3426.  32 33  1  0  0  0  0
    3427. 

  3427.  32 35  1  0  0  0  0
    3428. 

  3428.  35 36  1  0  0  0  0
    3429. 

  3429.  35 39  1  0  0  0  0
    3430. 

  3430.  36 37  1  0  0  0  0
    3431. 

  3431.  36 38  1  0  0  0  0
    3432. 

  3432.  39 40  1  0  0  0  0
    3433. 

  3433.  39 44  2  0  0  0  0
    3434. 

  3434.  40 42  1  0  0  0  0
    3435. 

  3435.  40 41  1  0  0  0  0
    3436. 

  3436.  40 43  1  0  0  0  0
    3437. 

  3437.  45 47  1  0  0  0  0
    3438. 

  3438.  45 46  1  0  0  0  0
    3439. 

  3439.  45 48  1  0  0  0  0
    3440. 

  3440.  48 50  1  0  0  0  0
    3441. 

  3441.  48 49  1  0  0  0  0
    3442. 

  3442.  48 51  1  0  0  0  0
    3443. 

  3443.  51 52  1  0  0  0  0
    3444. 

  3444.  51 53  1  0  0  0  0
    3445. 

  3445.  52 59  1  0  0  0  0
    3446. 

  3446.  52 67  2  0  0  0  0
    3447. 

  3447.  53 55  1  0  0  0  0
    3448. 

  3448.  53 54  1  0  0  0  0
    3449. 

  3449.  53 56  1  0  0  0  0
    3450. 

  3450.  56 57  1  0  0  0  0
    3451. 

  3451.  56 58  1  0  0  0  0
    3452. 

  3452.  59 60  1  0  0  0  0
    3453. 

  3453.  59 61  2  0  0  0  0
    3454. 

  3454.  61 62  1  0  0  0  0
    3455. 

  3455.  61 63  1  0  0  0  0
    3456. 

  3456.  63 64  1  0  0  0  0
    3457. 

  3457.  63 65  2  0  0  0  0
    3458. 

  3458.  65 66  1  0  0  0  0
    3459. 

  3459.  65 67  1  0  0  0  0
    3460. 

  3460.  67 68  1  0  0  0  0
    3461. 

  3461.  68 69  3  0  0  0  0
    3462. 

  3462. M  CHG  1  23   1
    3463. 

  3463. M  END
    3464. 

  3464. >  <ID>
    3465. 

  3465. Edw_3d
    3466. 

  3466. 

  3467. >  <Cathepsin L nM>
    3468. 

  3468. 20000
    3469. 

  3469. 

  3470. >  <Cathepsin B nM>
    3471. 

  3471. 20000
    3472. 

  3472. 

  3473. > <FP:MACCS>
    3474. 

  3474. 27 41 49 52 54 62 65 75 79 80 82 83 85 86 87 90 91 92 94 95 96 97 98 100 104 105 107 108 110 111 116 117 118 120 121 122 124 125 128 129 131 132 133 134 135 137 138 139 142 144 145 147 148 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    3475. 

  3475. 

  3476. $$$$
    3477. 

  3477. Edw_3e
    3478. 

  3478.   MOE2005           2D
    3479. 

  3479. 

  3480.  68 72  0  0  1  0  0  0  0  0999 V2000
    3481. 

  3481.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3482. 

  3482.     0.7450    1.3020    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3483. 

  3483.    -1.5000   -0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3484. 

  3484.    -2.1040    1.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3485. 

  3485.    -2.2450   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3486. 

  3486.    -3.4450   -1.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3487. 

  3487.    -1.4900   -2.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3488. 

  3488.    -2.2360   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3489. 

  3489.     0.0100   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3490. 

  3490.     0.6130   -3.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3491. 

  3491.     0.7550   -1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3492. 

  3492.     1.9550   -1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3493. 

  3493.    -3.7270   -4.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3494. 

  3494.    -4.0340   -5.5360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3495. 

  3495.    -5.4020   -6.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3496. 

  3496.    -4.7270   -7.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3497. 

  3497.    -6.2620   -6.9880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3498. 

  3498.    -6.6180   -5.2740    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3499. 

  3499.    -6.6180   -6.4740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3500. 

  3500.    -7.9860   -5.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3501. 

  3501.    -7.3120   -6.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3502. 

  3502.    -8.8470   -6.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3503. 

  3503.    -9.2030   -5.0120    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3504. 

  3504.    -9.2030   -6.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3505. 

  3505.    -6.4670   -3.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3506. 

  3506.    -5.3720   -3.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3507. 

  3507.    -2.7320   -6.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3508. 

  3508.    -1.6210   -5.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3509. 

  3509.    -2.4150   -7.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3510. 

  3510.    -3.6140   -7.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3511. 

  3511.    -2.5770   -8.9360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3512. 

  3512.    -0.9860   -8.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3513. 

  3513.    -1.5460   -9.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3514. 

  3514.    -0.0380   -8.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3515. 

  3515.     0.1250   -7.1980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3516. 

  3516.    -0.1920   -5.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3517. 

  3517.    -0.0300   -4.5430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3518. 

  3518.     1.0070   -5.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3519. 

  3519.   -10.5710   -5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3520. 

  3520.    -9.8970   -6.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3521. 

  3521.   -11.4310   -6.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3522. 

  3522.   -11.7880   -4.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3523. 

  3523.   -12.3100   -5.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3524. 

  3524.   -12.9430   -4.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3525. 

  3525.   -11.6370   -3.2570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3526. 

  3526.   -12.8530   -2.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3527. 

  3527.   -10.2680   -2.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3528. 

  3528.   -10.9430   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3529. 

  3529.    -9.4080   -1.8050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3530. 

  3530.    -9.0520   -3.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3531. 

  3531.    -7.8970   -3.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3532. 

  3532.    -8.5300   -2.4390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3533. 

  3533.   -12.7020   -0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3534. 

  3534.   -11.6080   -0.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3535. 

  3535.   -13.9190   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3536. 

  3536.   -13.7980    1.1840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3537. 

  3537.   -15.2870   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3538. 

  3538.   -16.2600    0.0760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3539. 

  3539.   -15.4380   -2.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3540. 

  3540.   -16.5330   -2.6100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3541. 

  3541.   -14.2210   -2.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3542. 

  3542.   -14.3730   -4.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3543. 

  3543.   -14.5240   -5.9800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3544. 

  3544.     1.5530   -7.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3545. 

  3545.     1.8700   -9.1220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3546. 

  3546.     0.9810   -9.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3547. 

  3547.     3.0130   -9.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3548. 

  3548.     2.6640   -6.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3549. 

  3549.   1 11  2  0  0  0  0
    3550. 

  3550.   1  3  1  0  0  0  0
    3551. 

  3551.   1  2  1  0  0  0  0
    3552. 

  3552.   3  4  1  0  0  0  0
    3553. 

  3553.   3  5  2  0  0  0  0
    3554. 

  3554.   5  7  1  0  0  0  0
    3555. 

  3555.   5  6  1  0  0  0  0
    3556. 

  3556.   7  9  2  0  0  0  0
    3557. 

  3557.   7  8  1  0  0  0  0
    3558. 

  3558.   8 13  2  0  0  0  0
    3559. 

  3559.   8 28  1  0  0  0  0
    3560. 

  3560.   9 11  1  0  0  0  0
    3561. 

  3561.   9 10  1  0  0  0  0
    3562. 

  3562.  11 12  1  0  0  0  0
    3563. 

  3563.  13 14  1  0  0  0  0
    3564. 

  3564.  14 15  1  0  0  0  0
    3565. 

  3565.  14 27  1  0  0  0  0
    3566. 

  3566.  15 17  1  0  0  0  0
    3567. 

  3567.  15 16  1  0  0  0  0
    3568. 

  3568.  15 18  1  0  0  0  0
    3569. 

  3569.  18 20  1  0  0  0  0
    3570. 

  3570.  18 19  1  0  0  0  0
    3571. 

  3571.  18 25  1  0  0  0  0
    3572. 

  3572.  20 22  1  0  0  0  0
    3573. 

  3573.  20 21  1  0  0  0  0
    3574. 

  3574.  20 23  1  0  0  0  0
    3575. 

  3575.  23 39  1  0  0  0  0
    3576. 

  3576.  23 24  1  0  0  0  0
    3577. 

  3577.  23 50  1  0  0  0  0
    3578. 

  3578.  25 26  1  0  0  0  0
    3579. 

  3579.  27 29  1  0  0  0  0
    3580. 

  3580.  27 28  2  0  0  0  0
    3581. 

  3581.  28 36  1  0  0  0  0
    3582. 

  3582.  29 31  1  0  0  0  0
    3583. 

  3583.  29 30  1  0  0  0  0
    3584. 

  3584.  29 32  1  0  0  0  0
    3585. 

  3585.  32 34  1  0  0  0  0
    3586. 

  3586.  32 33  1  0  0  0  0
    3587. 

  3587.  32 35  1  0  0  0  0
    3588. 

  3588.  35 36  1  0  0  0  0
    3589. 

  3589.  35 64  1  0  0  0  0
    3590. 

  3590.  36 37  1  0  0  0  0
    3591. 

  3591.  36 38  1  0  0  0  0
    3592. 

  3592.  39 41  1  0  0  0  0
    3593. 

  3593.  39 40  1  0  0  0  0
    3594. 

  3594.  39 42  1  0  0  0  0
    3595. 

  3595.  42 44  1  0  0  0  0
    3596. 

  3596.  42 43  1  0  0  0  0
    3597. 

  3597.  42 45  1  0  0  0  0
    3598. 

  3598.  45 46  1  0  0  0  0
    3599. 

  3599.  45 47  1  0  0  0  0
    3600. 

  3600.  46 53  1  0  0  0  0
    3601. 

  3601.  46 61  2  0  0  0  0
    3602. 

  3602.  47 49  1  0  0  0  0
    3603. 

  3603.  47 48  1  0  0  0  0
    3604. 

  3604.  47 50  1  0  0  0  0
    3605. 

  3605.  50 51  1  0  0  0  0
    3606. 

  3606.  50 52  1  0  0  0  0
    3607. 

  3607.  53 54  1  0  0  0  0
    3608. 

  3608.  53 55  2  0  0  0  0
    3609. 

  3609.  55 56  1  0  0  0  0
    3610. 

  3610.  55 57  1  0  0  0  0
    3611. 

  3611.  57 58  1  0  0  0  0
    3612. 

  3612.  57 59  2  0  0  0  0
    3613. 

  3613.  59 60  1  0  0  0  0
    3614. 

  3614.  59 61  1  0  0  0  0
    3615. 

  3615.  61 62  1  0  0  0  0
    3616. 

  3616.  62 63  3  0  0  0  0
    3617. 

  3617.  64 65  1  0  0  0  0
    3618. 

  3618.  64 68  2  0  0  0  0
    3619. 

  3619.  65 66  1  0  0  0  0
    3620. 

  3620.  65 67  1  0  0  0  0
    3621. 

  3621. M  CHG  1  23   1
    3622. 

  3622. M  END
    3623. 

  3623. >  <ID>
    3624. 

  3624. Edw_3e
    3625. 

  3625. 

  3626. >  <Cathepsin L nM>
    3627. 

  3627. 20000
    3628. 

  3628. 

  3629. >  <Cathepsin B nM>
    3630. 

  3630. 20000
    3631. 

  3631. 

  3632. > <FP:MACCS>
    3633. 

  3633. 27 37 41 49 52 54 62 65 75 77 79 80 82 83 84 85 86 87 90 91 94 95 96 97 98 100 104 105 106 107 110 111 117 118 120 121 122 124 125 128 129 131 132 133 134 135 137 138 139 142 144 145 147 148 150 151 152 153 154 155 156 157 158 159 161 162 163 164 165
    3634. 

  3634. 

  3635. $$$$
    3636. 

  3636. Edw_3f
    3637. 

  3637.   MOE2005           2D
    3638. 

  3638. 

  3639.  70 74  0  0  1  0  0  0  0  0999 V2000
    3640. 

  3640.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3641. 

  3641.     0.7550    1.2960    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3642. 

  3642.    -1.5000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3643. 

  3643.    -2.0960    1.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3644. 

  3644.    -2.2550   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3645. 

  3645.    -3.4550   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3646. 

  3646.    -1.5110   -2.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3647. 

  3647.    -2.2660   -3.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3648. 

  3648.    -0.0110   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3649. 

  3649.     0.5850   -3.6400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3650. 

  3650.     0.7450   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3651. 

  3651.     1.9450   -1.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3652. 

  3652.    -3.7580   -4.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3653. 

  3653.    -4.0760   -5.5050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3654. 

  3654.    -5.4490   -6.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3655. 

  3655.    -4.7820   -7.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3656. 

  3656.    -6.3150   -6.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3657. 

  3657.    -6.6590   -5.2220    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3658. 

  3658.    -6.6590   -6.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3659. 

  3659.    -8.0320   -5.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3660. 

  3660.    -7.3650   -6.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3661. 

  3661.    -8.8980   -6.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3662. 

  3662.    -9.2420   -4.9400    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3663. 

  3663.    -9.5520   -6.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3664. 

  3664.    -6.4960   -3.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3665. 

  3665.    -7.4640   -3.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3666. 

  3666.    -2.7800   -6.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3667. 

  3667.    -1.6610   -5.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3668. 

  3668.    -2.4740   -7.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3669. 

  3669.    -3.6740   -7.7650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3670. 

  3670.    -2.6460   -8.9160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3671. 

  3671.    -1.0500   -8.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3672. 

  3672.    -1.6170   -9.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3673. 

  3673.    -0.1070   -8.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3674. 

  3674.     0.0690   -7.1980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3675. 

  3675.    -0.2370   -5.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3676. 

  3676.    -0.0650   -4.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3677. 

  3677.     0.9630   -5.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3678. 

  3678.   -10.6140   -5.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3679. 

  3679.    -9.9470   -6.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3680. 

  3680.   -11.4810   -6.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3681. 

  3681.   -11.8240   -4.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3682. 

  3682.   -12.3550   -5.7350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3683. 

  3683.   -12.4000   -4.4910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3684. 

  3684.   -11.6610   -3.1670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3685. 

  3685.   -12.8710   -2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3686. 

  3686.   -10.2890   -2.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3687. 

  3687.   -10.9560   -1.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3688. 

  3688.    -9.4220   -1.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3689. 

  3689.    -9.0790   -3.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3690. 

  3690.    -7.9260   -3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3691. 

  3691.    -8.5480   -2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3692. 

  3692.   -12.7080   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3693. 

  3693.   -11.6100   -0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3694. 

  3694.   -13.9180    0.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3695. 

  3695.   -13.7880    1.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3696. 

  3696.   -15.2910   -0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3697. 

  3697.   -16.2590    0.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3698. 

  3698.   -15.4540   -1.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3699. 

  3699.   -16.5520   -2.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3700. 

  3700.   -14.2440   -2.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3701. 

  3701.   -14.4070   -4.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3702. 

  3702.   -15.6000   -4.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3703. 

  3703.   -14.5370   -5.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3704. 

  3704.   -13.8100   -4.4410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3705. 

  3705.     1.4940   -7.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3706. 

  3706.     1.8000   -9.1360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3707. 

  3707.     0.9050   -9.9360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3708. 

  3708.     2.9400   -9.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3709. 

  3709.     2.6130   -6.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3710. 

  3710.   1 11  2  0  0  0  0
    3711. 

  3711.   1  3  1  0  0  0  0
    3712. 

  3712.   1  2  1  0  0  0  0
    3713. 

  3713.   3  4  1  0  0  0  0
    3714. 

  3714.   3  5  2  0  0  0  0
    3715. 

  3715.   5  7  1  0  0  0  0
    3716. 

  3716.   5  6  1  0  0  0  0
    3717. 

  3717.   7  9  2  0  0  0  0
    3718. 

  3718.   7  8  1  0  0  0  0
    3719. 

  3719.   8 13  2  0  0  0  0
    3720. 

  3720.   8 28  1  0  0  0  0
    3721. 

  3721.   9 11  1  0  0  0  0
    3722. 

  3722.   9 10  1  0  0  0  0
    3723. 

  3723.  11 12  1  0  0  0  0
    3724. 

  3724.  13 14  1  0  0  0  0
    3725. 

  3725.  14 15  1  0  0  0  0
    3726. 

  3726.  14 27  1  0  0  0  0
    3727. 

  3727.  15 17  1  0  0  0  0
    3728. 

  3728.  15 16  1  0  0  0  0
    3729. 

  3729.  15 18  1  0  0  0  0
    3730. 

  3730.  18 20  1  0  0  0  0
    3731. 

  3731.  18 19  1  0  0  0  0
    3732. 

  3732.  18 25  1  0  0  0  0
    3733. 

  3733.  20 22  1  0  0  0  0
    3734. 

  3734.  20 21  1  0  0  0  0
    3735. 

  3735.  20 23  1  0  0  0  0
    3736. 

  3736.  23 39  1  0  0  0  0
    3737. 

  3737.  23 24  1  0  0  0  0
    3738. 

  3738.  23 50  1  0  0  0  0
    3739. 

  3739.  25 26  1  0  0  0  0
    3740. 

  3740.  27 29  1  0  0  0  0
    3741. 

  3741.  27 28  2  0  0  0  0
    3742. 

  3742.  28 36  1  0  0  0  0
    3743. 

  3743.  29 31  1  0  0  0  0
    3744. 

  3744.  29 30  1  0  0  0  0
    3745. 

  3745.  29 32  1  0  0  0  0
    3746. 

  3746.  32 34  1  0  0  0  0
    3747. 

  3747.  32 33  1  0  0  0  0
    3748. 

  3748.  32 35  1  0  0  0  0
    3749. 

  3749.  35 36  1  0  0  0  0
    3750. 

  3750.  35 66  1  0  0  0  0
    3751. 

  3751.  36 37  1  0  0  0  0
    3752. 

  3752.  36 38  1  0  0  0  0
    3753. 

  3753.  39 41  1  0  0  0  0
    3754. 

  3754.  39 40  1  0  0  0  0
    3755. 

  3755.  39 42  1  0  0  0  0
    3756. 

  3756.  42 44  1  0  0  0  0
    3757. 

  3757.  42 43  1  0  0  0  0
    3758. 

  3758.  42 45  1  0  0  0  0
    3759. 

  3759.  45 46  1  0  0  0  0
    3760. 

  3760.  45 47  1  0  0  0  0
    3761. 

  3761.  46 53  1  0  0  0  0
    3762. 

  3762.  46 61  2  0  0  0  0
    3763. 

  3763.  47 49  1  0  0  0  0
    3764. 

  3764.  47 48  1  0  0  0  0
    3765. 

  3765.  47 50  1  0  0  0  0
    3766. 

  3766.  50 51  1  0  0  0  0
    3767. 

  3767.  50 52  1  0  0  0  0
    3768. 

  3768.  53 54  1  0  0  0  0
    3769. 

  3769.  53 55  2  0  0  0  0
    3770. 

  3770.  55 56  1  0  0  0  0
    3771. 

  3771.  55 57  1  0  0  0  0
    3772. 

  3772.  57 58  1  0  0  0  0
    3773. 

  3773.  57 59  2  0  0  0  0
    3774. 

  3774.  59 60  1  0  0  0  0
    3775. 

  3775.  59 61  1  0  0  0  0
    3776. 

  3776.  61 62  1  0  0  0  0
    3777. 

  3777.  62 64  1  0  0  0  0
    3778. 

  3778.  62 63  1  0  0  0  0
    3779. 

  3779.  62 65  1  0  0  0  0
    3780. 

  3780.  66 67  1  0  0  0  0
    3781. 

  3781.  66 70  2  0  0  0  0
    3782. 

  3782.  67 68  1  0  0  0  0
    3783. 

  3783.  67 69  1  0  0  0  0
    3784. 

  3784. M  CHG  1  23   1
    3785. 

  3785. M  END
    3786. 

  3786. >  <ID>
    3787. 

  3787. Edw_3f
    3788. 

  3788. 

  3789. >  <Cathepsin L nM>
    3790. 

  3790. 20000
    3791. 

  3791. 

  3792. >  <Cathepsin B nM>
    3793. 

  3793. 20000
    3794. 

  3794. 

  3795. > <FP:MACCS>
    3796. 

  3796. 27 37 49 52 54 62 65 75 77 79 80 82 83 84 85 86 87 90 91 94 95 96 97 98 100 104 105 106 107 108 110 111 117 118 120 121 122 124 125 128 129 131 132 133 134 135 137 138 139 142 144 145 147 148 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    3797. 

  3797. 

  3798. $$$$
    3799. 

  3799. Oue12h
    3800. 

  3800.   MOE2005           2D
    3801. 

  3801. 

  3802.  41 42  0  0  1  0  0  0  0  0999 V2000
    3803. 

  3803.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3804. 

  3804.     1.5000    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3805. 

  3805.     3.0000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3806. 

  3806.     2.7940   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3807. 

  3807.     4.1280   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3808. 

  3808.     3.7480    1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3809. 

  3809.     3.1460    2.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3810. 

  3810.     5.2480    1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3811. 

  3811.     5.9950    2.6090    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3812. 

  3812.     4.7950    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3813. 

  3813.     6.0000    0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3814. 

  3814.     7.4950    2.6120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3815. 

  3815.     8.2480    1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3816. 

  3816.     7.1210    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3817. 

  3817.     8.4580    0.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3818. 

  3818.     9.7480    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3819. 

  3819.    10.5000    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3820. 

  3820.     8.6950    2.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3821. 

  3821.     8.2430    3.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3822. 

  3822.     9.1640    3.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3823. 

  3823.     9.1610    4.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3824. 

  3824.     7.4900    5.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3825. 

  3825.     8.6170    5.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3826. 

  3826.     7.2800    6.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3827. 

  3827.     5.9900    5.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3828. 

  3828.     6.1970    6.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3829. 

  3829.     4.8620    5.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3830. 

  3830.     5.2430    3.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3831. 

  3831.     4.3250    3.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3832. 

  3832.     4.3220    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3833. 

  3833.     9.7520   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3834. 

  3834.     8.5520   -1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3835. 

  3835.    10.5050   -2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3836. 

  3836.     9.9070   -3.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3837. 

  3837.    12.0050   -2.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3838. 

  3838.    12.6070   -3.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3839. 

  3839.    12.7520   -1.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3840. 

  3840.    14.2520   -1.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3841. 

  3841.    14.8540   -2.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3842. 

  3842.    12.0000    0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3843. 

  3843.    12.5980    1.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3844. 

  3844.   1  2  3  0  0  0  0
    3845. 

  3845.   2  3  1  0  0  0  0
    3846. 

  3846.   3  5  1  0  0  0  0
    3847. 

  3847.   3  4  1  0  0  0  0
    3848. 

  3848.   3  6  1  0  0  0  0
    3849. 

  3849.   6  7  1  0  0  0  0
    3850. 

  3850.   6  8  1  0  0  0  0
    3851. 

  3851.   8  9  1  0  0  0  0
    3852. 

  3852.   8 11  2  0  0  0  0
    3853. 

  3853.   9 12  1  0  0  0  0
    3854. 

  3854.   9 10  1  0  0  0  0
    3855. 

  3855.   9 28  1  0  0  0  0
    3856. 

  3856.  12 18  1  0  0  0  0
    3857. 

  3857.  12 13  1  0  0  0  0
    3858. 

  3858.  12 19  1  0  0  0  0
    3859. 

  3859.  13 15  1  0  0  0  0
    3860. 

  3860.  13 14  1  0  0  0  0
    3861. 

  3861.  13 16  1  0  0  0  0
    3862. 

  3862.  16 17  1  0  0  0  0
    3863. 

  3863.  17 31  1  0  0  0  0
    3864. 

  3864.  17 40  2  0  0  0  0
    3865. 

  3865.  19 21  1  0  0  0  0
    3866. 

  3866.  19 20  1  0  0  0  0
    3867. 

  3867.  19 22  1  0  0  0  0
    3868. 

  3868.  22 24  1  0  0  0  0
    3869. 

  3869.  22 23  1  0  0  0  0
    3870. 

  3870.  22 25  1  0  0  0  0
    3871. 

  3871.  25 27  1  0  0  0  0
    3872. 

  3872.  25 26  1  0  0  0  0
    3873. 

  3873.  25 28  1  0  0  0  0
    3874. 

  3874.  28 29  1  0  0  0  0
    3875. 

  3875.  28 30  1  0  0  0  0
    3876. 

  3876.  31 32  1  0  0  0  0
    3877. 

  3877.  31 33  2  0  0  0  0
    3878. 

  3878.  33 34  1  0  0  0  0
    3879. 

  3879.  33 35  1  0  0  0  0
    3880. 

  3880.  35 36  1  0  0  0  0
    3881. 

  3881.  35 37  2  0  0  0  0
    3882. 

  3882.  37 38  1  0  0  0  0
    3883. 

  3883.  37 40  1  0  0  0  0
    3884. 

  3884.  38 39  1  0  0  0  0
    3885. 

  3885.  40 41  1  0  0  0  0
    3886. 

  3886. M  END
    3887. 

  3887. >  <ID>
    3888. 

  3888. Oue12h
    3889. 

  3889. 

  3890. >  <Cathepsin L nM>
    3891. 

  3891. 35700
    3892. 

  3892. 

  3893. >  <Cathepsin B nM>
    3894. 

  3894. 18480
    3895. 

  3895. 

  3896. > <FP:MACCS>
    3897. 

  3897. 41 59 64 79 81 82 88 90 91 92 100 110 111 113 117 118 128 129 131 138 139 142 143 145 147 150 151 152 153 154 155 156 157 158 159 161 162 163 164 165
    3898. 

  3898. 

  3899. $$$$
    3900. 

  3900. Ina12e
    3901. 

  3901.   MOE2005           2D
    3902. 

  3902. 

  3903.  40 41  0  0  0  0  0  0  0  0999 V2000
    3904. 

  3904.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3905. 

  3905.    -0.7610    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3906. 

  3906.    -0.0220    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3907. 

  3907.     1.4780    2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3908. 

  3908.     2.2390    1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3909. 

  3909.     1.5000    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3910. 

  3910.     2.2610   -1.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3911. 

  3911.     1.5220   -2.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3912. 

  3912.     2.2830   -3.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3913. 

  3913.     1.5440   -5.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3914. 

  3914.     3.4830   -3.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3915. 

  3915.     3.7390    1.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3916. 

  3916.     4.5000    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3917. 

  3917.     4.4780    2.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3918. 

  3918.     5.9780    2.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3919. 

  3919.     6.7390    1.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3920. 

  3920.     6.0000    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3921. 

  3921.     3.7170    3.9280    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3922. 

  3922.     6.7170    3.9540    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3923. 

  3923.     8.2390    1.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3924. 

  3924.     9.0000    0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3925. 

  3925.    10.5000    0.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3926. 

  3926.     8.2610   -1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3927. 

  3927.    -0.5910   -1.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3928. 

  3928.    -1.9610    1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3929. 

  3929.    -0.6310    3.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3930. 

  3930.     2.0690    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3931. 

  3931.     0.5960   -1.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3932. 

  3932.     0.6090   -3.3640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3933. 

  3933.     3.9090   -1.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3934. 

  3934.     6.6080   -0.9840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3935. 

  3935.     8.0200    2.5480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3936. 

  3936.     9.3630    1.7880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3937. 

  3937.     9.6000   -0.9640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3938. 

  3938.    10.5100   -1.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3939. 

  3939.    11.7000    0.0980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3940. 

  3940.    10.4900    1.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3941. 

  3941.     7.2160   -0.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3942. 

  3942.     7.6690   -2.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3943. 

  3943.     9.3050   -1.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3944. 

  3944.   1 24  1  0  0  0  0
    3945. 

  3945.   1  6  2  0  0  0  0
    3946. 

  3946.   1  2  1  0  0  0  0
    3947. 

  3947.   2 25  1  0  0  0  0
    3948. 

  3948.   2  3  2  0  0  0  0
    3949. 

  3949.   3  4  1  0  0  0  0
    3950. 

  3950.   3 26  1  0  0  0  0
    3951. 

  3951.   4  5  2  0  0  0  0
    3952. 

  3952.   4 27  1  0  0  0  0
    3953. 

  3953.   5  6  1  0  0  0  0
    3954. 

  3954.   5 12  1  0  0  0  0
    3955. 

  3955.   6  7  1  0  0  0  0
    3956. 

  3956.   7  8  1  0  0  0  0
    3957. 

  3957.   8 28  1  0  0  0  0
    3958. 

  3958.   8  9  1  0  0  0  0
    3959. 

  3959.   8 29  1  0  0  0  0
    3960. 

  3960.   9 10  2  0  0  0  0
    3961. 

  3961.   9 11  1  0  0  0  0
    3962. 

  3962.  12 13  1  0  0  0  0
    3963. 

  3963.  12 14  2  0  0  0  0
    3964. 

  3964.  13 17  2  0  0  0  0
    3965. 

  3965.  13 30  1  0  0  0  0
    3966. 

  3966.  14 18  1  0  0  0  0
    3967. 

  3967.  14 15  1  0  0  0  0
    3968. 

  3968.  15 16  2  0  0  0  0
    3969. 

  3969.  15 19  1  0  0  0  0
    3970. 

  3970.  16 17  1  0  0  0  0
    3971. 

  3971.  16 20  1  0  0  0  0
    3972. 

  3972.  17 31  1  0  0  0  0
    3973. 

  3973.  20 32  1  0  0  0  0
    3974. 

  3974.  20 21  1  0  0  0  0
    3975. 

  3975.  20 33  1  0  0  0  0
    3976. 

  3976.  21 23  1  0  0  0  0
    3977. 

  3977.  21 22  1  0  0  0  0
    3978. 

  3978.  21 34  1  0  0  0  0
    3979. 

  3979.  22 36  1  0  0  0  0
    3980. 

  3980.  22 35  1  0  0  0  0
    3981. 

  3981.  22 37  1  0  0  0  0
    3982. 

  3982.  23 39  1  0  0  0  0
    3983. 

  3983.  23 38  1  0  0  0  0
    3984. 

  3984.  23 40  1  0  0  0  0
    3985. 

  3985. M  END
    3986. 

  3986. >  <ID>
    3987. 

  3987. Ina12e
    3988. 

  3988. 

  3989. >  <Cathepsin L nM>
    3990. 

  3990. 15000
    3991. 

  3991. 

  3992. >  <Cathepsin B nM>
    3993. 

  3993. 15000
    3994. 

  3994. 

  3995. > <FP:MACCS>
    3996. 

  3996. 42 62 72 74 87 107 109 113 115 125 126 132 134 143 144 145 149 150 152 153 154 155 157 159 160 162 163 164 165
    3997. 

  3997. 

  3998. $$$$
    3999. 

  3999. Ina12d
    4000. 

  4000.   MOE2005           2D
    4001. 

  4001. 

  4002.  37 38  0  0  0  0  0  0  0  0999 V2000
    4003. 

  4003.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4004. 

  4004.    -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4005. 

  4005.    -0.0010    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4006. 

  4006.     1.4990    2.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4007. 

  4007.     2.2500    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4008. 

  4008.     1.5000    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4009. 

  4009.     2.2500   -1.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4010. 

  4010.     1.5010   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4011. 

  4011.     2.2520   -3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4012. 

  4012.     1.5020   -5.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4013. 

  4013.     3.4520   -3.8960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4014. 

  4014.     3.7500    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4015. 

  4015.     4.5000    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4016. 

  4016.     4.4990    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4017. 

  4017.     5.9990    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4018. 

  4018.     6.7500    1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4019. 

  4019.     6.0000    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4020. 

  4020.     3.7480    3.8990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4021. 

  4021.     6.7480    3.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4022. 

  4022.     8.2500    1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4023. 

  4023.     9.0000    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4024. 

  4024.    10.5000    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4025. 

  4025.    -0.6000   -1.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4026. 

  4026.    -1.9500    1.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4027. 

  4027.    -0.6020    3.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4028. 

  4028.     2.0980    3.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4029. 

  4029.     0.5820   -1.8260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4030. 

  4030.     0.5820   -3.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4031. 

  4031.     3.9000   -1.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4032. 

  4032.     6.6000   -1.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4033. 

  4033.     8.0410    2.4840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4034. 

  4034.     9.3770    1.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4035. 

  4035.     7.8720   -0.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4036. 

  4036.     9.2090   -1.1780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4037. 

  4037.    10.5000   -1.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4038. 

  4038.    11.7000    0.0050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4039. 

  4039.    10.5000    1.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4040. 

  4040.   1 23  1  0  0  0  0
    4041. 

  4041.   1  6  2  0  0  0  0
    4042. 

  4042.   1  2  1  0  0  0  0
    4043. 

  4043.   2 24  1  0  0  0  0
    4044. 

  4044.   2  3  2  0  0  0  0
    4045. 

  4045.   3  4  1  0  0  0  0
    4046. 

  4046.   3 25  1  0  0  0  0
    4047. 

  4047.   4  5  2  0  0  0  0
    4048. 

  4048.   4 26  1  0  0  0  0
    4049. 

  4049.   5  6  1  0  0  0  0
    4050. 

  4050.   5 12  1  0  0  0  0
    4051. 

  4051.   6  7  1  0  0  0  0
    4052. 

  4052.   7  8  1  0  0  0  0
    4053. 

  4053.   8 27  1  0  0  0  0
    4054. 

  4054.   8  9  1  0  0  0  0
    4055. 

  4055.   8 28  1  0  0  0  0
    4056. 

  4056.   9 10  2  0  0  0  0
    4057. 

  4057.   9 11  1  0  0  0  0
    4058. 

  4058.  12 13  1  0  0  0  0
    4059. 

  4059.  12 14  2  0  0  0  0
    4060. 

  4060.  13 17  2  0  0  0  0
    4061. 

  4061.  13 29  1  0  0  0  0
    4062. 

  4062.  14 18  1  0  0  0  0
    4063. 

  4063.  14 15  1  0  0  0  0
    4064. 

  4064.  15 16  2  0  0  0  0
    4065. 

  4065.  15 19  1  0  0  0  0
    4066. 

  4066.  16 17  1  0  0  0  0
    4067. 

  4067.  16 20  1  0  0  0  0
    4068. 

  4068.  17 30  1  0  0  0  0
    4069. 

  4069.  20 31  1  0  0  0  0
    4070. 

  4070.  20 21  1  0  0  0  0
    4071. 

  4071.  20 32  1  0  0  0  0
    4072. 

  4072.  21 33  1  0  0  0  0
    4073. 

  4073.  21 22  1  0  0  0  0
    4074. 

  4074.  21 34  1  0  0  0  0
    4075. 

  4075.  22 36  1  0  0  0  0
    4076. 

  4076.  22 35  1  0  0  0  0
    4077. 

  4077.  22 37  1  0  0  0  0
    4078. 

  4078. M  END
    4079. 

  4079. >  <ID>
    4080. 

  4080. Ina12d
    4081. 

  4081. 

  4082. >  <Cathepsin L nM>
    4083. 

  4083. 5190
    4084. 

  4084. 

  4085. >  <Cathepsin B nM>
    4086. 

  4086. 15000
    4087. 

  4087. 

  4088. > <FP:MACCS>
    4089. 

  4089. 42 62 72 87 107 109 113 114 115 125 126 132 134 143 144 145 147 150 152 153 154 155 157 159 160 162 163 164 165
    4090. 

  4090. 

  4091. $$$$
    4092. 

  4092. Ina_02
    4093. 

  4093.   MOE2005           2D
    4094. 

  4094. 

  4095.  28 29  0  0  0  0  0  0  0  0999 V2000
    4096. 

  4096.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4097. 

  4097.    -0.7410   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4098. 

  4098.    -2.2410   -1.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4099. 

  4099.    -3.0000   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4100. 

  4100.    -2.2590    1.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4101. 

  4101.    -0.7590    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4102. 

  4102.    -0.0180    2.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4103. 

  4103.     1.4820    2.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4104. 

  4104.     2.2230    3.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4105. 

  4105.     3.7230    3.9230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4106. 

  4106.     1.6160    4.9480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4107. 

  4107.    -3.0180    2.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4108. 

  4108.    -2.2770    3.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4109. 

  4109.    -4.5180    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4110. 

  4110.    -5.2770    3.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4111. 

  4111.    -4.5360    5.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4112. 

  4112.    -3.0360    5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4113. 

  4113.    -5.2590    1.2620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4114. 

  4114.    -6.7770    3.8500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4115. 

  4115.    -5.2950    6.4580    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4116. 

  4116.     1.2000    0.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4117. 

  4117.    -0.1340   -2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4118. 

  4118.    -2.8340   -2.3580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4119. 

  4119.    -4.2000   -0.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4120. 

  4120.     1.2820    1.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4121. 

  4121.     2.6120    2.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4122. 

  4122.    -1.0770    3.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4123. 

  4123.    -2.4440    6.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4124. 

  4124.   1 21  1  0  0  0  0
    4125. 

  4125.   1  6  2  0  0  0  0
    4126. 

  4126.   1  2  1  0  0  0  0
    4127. 

  4127.   2 22  1  0  0  0  0
    4128. 

  4128.   2  3  2  0  0  0  0
    4129. 

  4129.   3  4  1  0  0  0  0
    4130. 

  4130.   3 23  1  0  0  0  0
    4131. 

  4131.   4  5  2  0  0  0  0
    4132. 

  4132.   4 24  1  0  0  0  0
    4133. 

  4133.   5  6  1  0  0  0  0
    4134. 

  4134.   5 12  1  0  0  0  0
    4135. 

  4135.   6  7  1  0  0  0  0
    4136. 

  4136.   7  8  1  0  0  0  0
    4137. 

  4137.   8 25  1  0  0  0  0
    4138. 

  4138.   8  9  1  0  0  0  0
    4139. 

  4139.   8 26  1  0  0  0  0
    4140. 

  4140.   9 10  2  0  0  0  0
    4141. 

  4141.   9 11  1  0  0  0  0
    4142. 

  4142.  12 13  1  0  0  0  0
    4143. 

  4143.  12 14  2  0  0  0  0
    4144. 

  4144.  13 17  2  0  0  0  0
    4145. 

  4145.  13 27  1  0  0  0  0
    4146. 

  4146.  14 18  1  0  0  0  0
    4147. 

  4147.  14 15  1  0  0  0  0
    4148. 

  4148.  15 16  2  0  0  0  0
    4149. 

  4149.  15 19  1  0  0  0  0
    4150. 

  4150.  16 17  1  0  0  0  0
    4151. 

  4151.  16 20  1  0  0  0  0
    4152. 

  4152.  17 28  1  0  0  0  0
    4153. 

  4153. M  END
    4154. 

  4154. >  <ID>
    4155. 

  4155. Ina_02
    4156. 

  4156. 

  4157. >  <Cathepsin L nM>
    4158. 

  4158. 1540
    4159. 

  4159. 

  4160. >  <Cathepsin B nM>
    4161. 

  4161. 15000
    4162. 

  4162. 

  4163. > <FP:MACCS>
    4164. 

  4164. 42 62 72 87 107 109 113 125 126 132 134 143 144 145 150 152 153 154 155 157 159 162 163 164 165
    4165. 

  4165. 

  4166. $$$$
    4167. 

  4167. Tav_32
    4168. 

  4168.   MOE2005           2D
    4169. 

  4169. 

  4170.  67 68  0  0  1  0  0  0  0  0999 V2000
    4171. 

  4171.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4172. 

  4172.    -1.4830    0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4173. 

  4173.    -0.7100    1.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4174. 

  4174.    -1.8300    1.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4175. 

  4175.    -0.4800    2.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4176. 

  4176.     0.7900    1.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4177. 

  4177.     0.5480   -1.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4178. 

  4178.    -0.0100   -1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4179. 

  4179.     0.9870   -2.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4180. 

  4180.     1.6650   -0.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4181. 

  4181.    -0.0300    1.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4182. 

  4182.     1.1760    0.2380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4183. 

  4183.    -1.9910   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4184. 

  4184.    -1.4270   -1.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4185. 

  4185.    -2.3980   -2.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4186. 

  4186.    -3.4030   -0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4187. 

  4187.    -3.8090   -1.8090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4188. 

  4188.    -4.5320   -0.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4189. 

  4189.    -2.8950    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4190. 

  4190.    -2.4880    1.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4191. 

  4191.    -4.0240    1.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4192. 

  4192.     1.5640    2.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4193. 

  4193.     3.0640    2.7380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4194. 

  4194.     3.6440    1.6880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4195. 

  4195.     3.8370    4.0230    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4196. 

  4196.     4.4370    5.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4197. 

  4197.     3.1110    5.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4198. 

  4198.     2.1780    4.5820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4199. 

  4199.     2.2060    6.1240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4200. 

  4200.     3.8850    6.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4201. 

  4201.     4.7900    5.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4202. 

  4202.     4.8180    7.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4203. 

  4203.     3.1590    7.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4204. 

  4204.     2.2250    7.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4205. 

  4205.     2.2540    8.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4206. 

  4206.     3.9320    9.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4207. 

  4207.     4.9600    8.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4208. 

  4208.     4.5510   10.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4209. 

  4209.     2.9040    9.8380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4210. 

  4210.     0.8380    4.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4211. 

  4211.     5.3370    3.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4212. 

  4212.     6.1110    5.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4213. 

  4213.     6.0630    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4214. 

  4214.     7.5630    2.6560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4215. 

  4215.     8.1820    3.6840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4216. 

  4216.     8.2890    1.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4217. 

  4217.     5.2890    1.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4218. 

  4218.     9.7780    1.1590    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4219. 

  4219.    10.8010    2.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4220. 

  4220.     9.7960    2.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4221. 

  4221.    11.2710    3.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4222. 

  4222.    12.2630    1.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4223. 

  4223.    12.7000    0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4224. 

  4224.    11.5520    0.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4225. 

  4225.    13.0500   -0.6660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4226. 

  4226.    13.8480    0.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4227. 

  4227.    13.4220    1.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4228. 

  4228.    13.2870    3.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4229. 

  4229.    14.1640    2.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4230. 

  4230.    14.1060    3.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4231. 

  4231.    12.4100    3.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4232. 

  4232.    10.0620   -0.3140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4233. 

  4233.    11.1500   -0.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4234. 

  4234.     8.7500   -1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4235. 

  4235.     8.6030   -2.2300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4236. 

  4236.     7.6540   -0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4237. 

  4237.     6.4760   -0.2440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4238. 

  4238.   1 12  1  0  0  0  0
    4239. 

  4239.   1 11  1  0  0  0  0
    4240. 

  4240.   1  7  1  0  0  0  0
    4241. 

  4241.   1  2  1  0  0  0  0
    4242. 

  4242.   2 13  1  0  0  0  0
    4243. 

  4243.   2  3  1  0  0  0  0
    4244. 

  4244.   2 19  1  0  0  0  0
    4245. 

  4245.   3  5  1  0  0  0  0
    4246. 

  4246.   3  4  1  0  0  0  0
    4247. 

  4247.   3  6  1  0  0  0  0
    4248. 

  4248.   6 22  1  0  0  0  0
    4249. 

  4249.   7  9  1  0  0  0  0
    4250. 

  4250.   7  8  1  0  0  0  0
    4251. 

  4251.   7 10  1  0  0  0  0
    4252. 

  4252.  13 15  1  0  0  0  0
    4253. 

  4253.  13 14  1  0  0  0  0
    4254. 

  4254.  13 16  1  0  0  0  0
    4255. 

  4255.  16 18  1  0  0  0  0
    4256. 

  4256.  16 17  1  0  0  0  0
    4257. 

  4257.  16 19  1  0  0  0  0
    4258. 

  4258.  19 20  1  0  0  0  0
    4259. 

  4259.  19 21  1  0  0  0  0
    4260. 

  4260.  22 23  1  0  0  0  0
    4261. 

  4261.  22 40  2  0  0  0  0
    4262. 

  4262.  23 24  1  0  0  0  0
    4263. 

  4263.  23 25  1  0  0  0  0
    4264. 

  4264.  25 27  1  0  0  0  0
    4265. 

  4265.  25 26  1  0  0  0  0
    4266. 

  4266.  25 41  1  0  0  0  0
    4267. 

  4267.  27 29  1  0  0  0  0
    4268. 

  4268.  27 28  1  0  0  0  0
    4269. 

  4269.  27 30  1  0  0  0  0
    4270. 

  4270.  30 32  1  0  0  0  0
    4271. 

  4271.  30 31  1  0  0  0  0
    4272. 

  4272.  30 33  1  0  0  0  0
    4273. 

  4273.  33 35  1  0  0  0  0
    4274. 

  4274.  33 34  1  0  0  0  0
    4275. 

  4275.  33 36  1  0  0  0  0
    4276. 

  4276.  36 38  1  0  0  0  0
    4277. 

  4277.  36 37  1  0  0  0  0
    4278. 

  4278.  36 39  1  0  0  0  0
    4279. 

  4279.  41 42  2  0  0  0  0
    4280. 

  4280.  41 43  1  0  0  0  0
    4281. 

  4281.  43 44  1  0  0  0  0
    4282. 

  4282.  43 47  2  0  0  0  0
    4283. 

  4283.  44 45  1  0  0  0  0
    4284. 

  4284.  44 46  1  0  0  0  0
    4285. 

  4285.  46 48  2  0  0  0  0
    4286. 

  4286.  46 66  1  0  0  0  0
    4287. 

  4287.  48 49  1  0  0  0  0
    4288. 

  4288.  48 62  1  0  0  0  0
    4289. 

  4289.  49 51  1  0  0  0  0
    4290. 

  4290.  49 50  1  0  0  0  0
    4291. 

  4291.  49 52  1  0  0  0  0
    4292. 

  4292.  52 57  1  0  0  0  0
    4293. 

  4293.  52 53  1  0  0  0  0
    4294. 

  4294.  52 58  1  0  0  0  0
    4295. 

  4295.  53 55  1  0  0  0  0
    4296. 

  4296.  53 54  1  0  0  0  0
    4297. 

  4297.  53 56  1  0  0  0  0
    4298. 

  4298.  58 60  1  0  0  0  0
    4299. 

  4299.  58 59  1  0  0  0  0
    4300. 

  4300.  58 61  1  0  0  0  0
    4301. 

  4301.  62 63  1  0  0  0  0
    4302. 

  4302.  62 64  1  0  0  0  0
    4303. 

  4303.  64 65  1  0  0  0  0
    4304. 

  4304.  64 66  2  0  0  0  0
    4305. 

  4305.  66 67  1  0  0  0  0
    4306. 

  4306. M  CHG  1  48   1
    4307. 

  4307. M  END
    4308. 

  4308. >  <ID>
    4309. 

  4309. Tav_32
    4310. 

  4310. 

  4311. >  <Cathepsin L nM>
    4312. 

  4312. 12920
    4313. 

  4313. 

  4314. >  <Cathepsin B nM>
    4315. 

  4315. 12920
    4316. 

  4316. 

  4317. > <FP:MACCS>
    4318. 

  4318. 11 23 38 49 52 53 54 65 66 69 72 74 75 77 79 80 83 90 91 92 94 95 96 97 100 104 106 108 109 110 111 112 114 115 116 117 118 120 121 122 123 124 126 128 129 131 133 135 136 137 138 140 141 142 144 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 164 165
    4319. 

  4319. 

  4320. $$$$
    4321. 

  4321. Tav_35
    4322. 

  4322.   MOE2005           2D
    4323. 

  4323. 

  4324.  73 74  0  0  1  0  0  0  0  0999 V2000
    4325. 

  4325.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4326. 

  4326.    -0.7400   -1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4327. 

  4327.    -1.6620   -0.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4328. 

  4328.    -0.6020    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4329. 

  4329.    -2.0320    1.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4330. 

  4330.    -3.1480   -0.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4331. 

  4331.     1.5000    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4332. 

  4332.     1.5050   -0.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4333. 

  4333.     2.7000    0.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4334. 

  4334.     1.4900    1.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4335. 

  4335.    -1.1310    0.4020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4336. 

  4336.     0.1990    1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4337. 

  4337.    -1.7200   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4338. 

  4338.    -2.6280   -1.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4339. 

  4339.    -2.5040   -3.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4340. 

  4340.    -0.5840   -3.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4341. 

  4341.    -1.3680   -4.3290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4342. 

  4342.     0.3240   -4.2050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4343. 

  4343.     0.3960   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4344. 

  4344.     0.7880   -1.8310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4345. 

  4345.     1.3040   -3.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4346. 

  4346.    -4.0700    0.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4347. 

  4347.    -5.5560    0.6460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4348. 

  4348.    -6.0060   -0.4660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4349. 

  4349.    -6.4780    1.8290    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4350. 

  4350.    -5.3190    2.1390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4351. 

  4351.    -5.9150    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4352. 

  4352.    -4.8980    2.5820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4353. 

  4353.    -5.1120    4.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4354. 

  4354.    -6.8380    4.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4355. 

  4355.    -7.6410    3.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4356. 

  4356.    -7.8550    5.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4357. 

  4357.    -6.2740    5.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4358. 

  4358.    -5.2570    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4359. 

  4359.    -5.4710    6.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4360. 

  4360.    -7.1970    6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4361. 

  4361.    -6.2510    7.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4362. 

  4362.    -7.9350    7.9210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4363. 

  4363.    -8.1430    6.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4364. 

  4364.    -3.5070    2.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4365. 

  4365.    -7.9640    1.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4366. 

  4366.    -8.8860    2.8040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4367. 

  4367.    -8.5270    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4368. 

  4368.   -10.0130    0.0230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4369. 

  4369.   -10.7510    0.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4370. 

  4370.   -10.5760   -1.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4371. 

  4371.    -7.6050   -0.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4372. 

  4372.   -12.0320   -1.7280    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4373. 

  4373.   -13.1800   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4374. 

  4374.   -12.2600    0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4375. 

  4375.   -14.5900   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4376. 

  4376.   -13.9910   -2.3150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4377. 

  4377.   -15.0500   -1.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4378. 

  4378.   -15.7380   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4379. 

  4379.   -16.8860    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4380. 

  4380.   -16.5000    1.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4381. 

  4381.   -17.8050    1.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4382. 

  4382.   -17.2720    0.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4383. 

  4383.   -14.7730    0.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4384. 

  4384.   -14.3140    0.4520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4385. 

  4385.   -14.0010    1.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4386. 

  4386.   -15.2320    1.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4387. 

  4387.   -16.7030   -1.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4388. 

  4388.   -17.1620   -1.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4389. 

  4389.   -17.4750   -2.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4390. 

  4390.   -16.2440   -1.8440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4391. 

  4391.   -13.4790   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4392. 

  4392.   -12.1370   -3.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4393. 

  4393.   -13.1560   -3.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4394. 

  4394.   -10.7470   -3.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4395. 

  4395.   -10.4580   -4.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4396. 

  4396.    -9.7820   -2.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4397. 

  4397.    -8.5850   -2.7240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4398. 

  4398.   1 12  1  0  0  0  0
    4399. 

  4399.   1 11  1  0  0  0  0
    4400. 

  4400.   1  7  1  0  0  0  0
    4401. 

  4401.   1  2  1  0  0  0  0
    4402. 

  4402.   2 13  1  0  0  0  0
    4403. 

  4403.   2  3  1  0  0  0  0
    4404. 

  4404.   2 19  1  0  0  0  0
    4405. 

  4405.   3  5  1  0  0  0  0
    4406. 

  4406.   3  4  1  0  0  0  0
    4407. 

  4407.   3  6  1  0  0  0  0
    4408. 

  4408.   6 22  1  0  0  0  0
    4409. 

  4409.   7  9  1  0  0  0  0
    4410. 

  4410.   7  8  1  0  0  0  0
    4411. 

  4411.   7 10  1  0  0  0  0
    4412. 

  4412.  13 15  1  0  0  0  0
    4413. 

  4413.  13 14  1  0  0  0  0
    4414. 

  4414.  13 16  1  0  0  0  0
    4415. 

  4415.  16 18  1  0  0  0  0
    4416. 

  4416.  16 17  1  0  0  0  0
    4417. 

  4417.  16 19  1  0  0  0  0
    4418. 

  4418.  19 20  1  0  0  0  0
    4419. 

  4419.  19 21  1  0  0  0  0
    4420. 

  4420.  22 23  1  0  0  0  0
    4421. 

  4421.  22 40  2  0  0  0  0
    4422. 

  4422.  23 24  1  0  0  0  0
    4423. 

  4423.  23 25  1  0  0  0  0
    4424. 

  4424.  25 27  1  0  0  0  0
    4425. 

  4425.  25 26  1  0  0  0  0
    4426. 

  4426.  25 41  1  0  0  0  0
    4427. 

  4427.  27 29  1  0  0  0  0
    4428. 

  4428.  27 28  1  0  0  0  0
    4429. 

  4429.  27 30  1  0  0  0  0
    4430. 

  4430.  30 32  1  0  0  0  0
    4431. 

  4431.  30 31  1  0  0  0  0
    4432. 

  4432.  30 33  1  0  0  0  0
    4433. 

  4433.  33 35  1  0  0  0  0
    4434. 

  4434.  33 34  1  0  0  0  0
    4435. 

  4435.  33 36  1  0  0  0  0
    4436. 

  4436.  36 38  1  0  0  0  0
    4437. 

  4437.  36 37  1  0  0  0  0
    4438. 

  4438.  36 39  1  0  0  0  0
    4439. 

  4439.  41 42  2  0  0  0  0
    4440. 

  4440.  41 43  1  0  0  0  0
    4441. 

  4441.  43 44  1  0  0  0  0
    4442. 

  4442.  43 47  2  0  0  0  0
    4443. 

  4443.  44 45  1  0  0  0  0
    4444. 

  4444.  44 46  1  0  0  0  0
    4445. 

  4445.  46 48  2  0  0  0  0
    4446. 

  4446.  46 72  1  0  0  0  0
    4447. 

  4447.  48 49  1  0  0  0  0
    4448. 

  4448.  48 68  1  0  0  0  0
    4449. 

  4449.  49 51  1  0  0  0  0
    4450. 

  4450.  49 50  1  0  0  0  0
    4451. 

  4451.  49 67  1  0  0  0  0
    4452. 

  4452.  51 53  1  0  0  0  0
    4453. 

  4453.  51 52  1  0  0  0  0
    4454. 

  4454.  51 54  1  0  0  0  0
    4455. 

  4455.  54 59  1  0  0  0  0
    4456. 

  4456.  54 55  1  0  0  0  0
    4457. 

  4457.  54 63  1  0  0  0  0
    4458. 

  4458.  55 57  1  0  0  0  0
    4459. 

  4459.  55 56  1  0  0  0  0
    4460. 

  4460.  55 58  1  0  0  0  0
    4461. 

  4461.  59 61  1  0  0  0  0
    4462. 

  4462.  59 60  1  0  0  0  0
    4463. 

  4463.  59 62  1  0  0  0  0
    4464. 

  4464.  63 65  1  0  0  0  0
    4465. 

  4465.  63 64  1  0  0  0  0
    4466. 

  4466.  63 66  1  0  0  0  0
    4467. 

  4467.  68 69  1  0  0  0  0
    4468. 

  4468.  68 70  1  0  0  0  0
    4469. 

  4469.  70 71  1  0  0  0  0
    4470. 

  4470.  70 72  2  0  0  0  0
    4471. 

  4471.  72 73  1  0  0  0  0
    4472. 

  4472. M  CHG  1  48   1
    4473. 

  4473. M  END
    4474. 

  4474. >  <ID>
    4475. 

  4475. Tav_35
    4476. 

  4476. 

  4477. >  <Cathepsin L nM>
    4478. 

  4478. 11360
    4479. 

  4479. 

  4480. >  <Cathepsin B nM>
    4481. 

  4481. 12780
    4482. 

  4482. 

  4483. > <FP:MACCS>
    4484. 

  4484. 11 23 38 49 52 53 54 65 66 69 72 74 75 77 79 80 83 90 91 92 94 95 96 97 100 104 106 108 109 110 111 112 114 115 116 117 118 120 121 122 123 124 126 128 129 131 133 135 136 137 138 140 141 142 144 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 164 165
    4485. 

  4485. 

  4486. $$$$
    4487. 

  4487. Tav_29
    4488. 

  4488.   MOE2005           2D
    4489. 

  4489. 

  4490.  58 59  0  0  1  0  0  0  0  0999 V2000
    4491. 

  4491.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4492. 

  4492.    -0.2160    1.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4493. 

  4493.     1.2380    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4494. 

  4494.     0.7460    0.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4495. 

  4495.     2.2300    0.4410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4496. 

  4496.     2.2840    2.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4497. 

  4497.    -1.1780   -0.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4498. 

  4498.    -1.5490   -0.4580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4499. 

  4499.    -2.1200   -1.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4500. 

  4500.    -0.4340   -1.8710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4501. 

  4501.     1.1400    0.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4502. 

  4502.     0.5680   -1.0570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4503. 

  4503.    -1.7140    1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4504. 

  4504.    -1.7450    0.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4505. 

  4505.    -2.9120    1.6240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4506. 

  4506.    -1.6360    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4507. 

  4507.    -2.8350    3.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4508. 

  4508.    -1.5740    4.2580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4509. 

  4509.    -0.1380    2.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4510. 

  4510.     1.0600    2.9200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4511. 

  4511.    -0.0760    4.1810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4512. 

  4512.     3.7380    1.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4513. 

  4513.     4.1460    0.3790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4514. 

  4514.     3.3090   -0.4810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4515. 

  4515.     5.6000    0.0100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4516. 

  4516.     4.7520   -0.8380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4517. 

  4517.     6.0080   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4518. 

  4518.     7.0890   -0.9110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4519. 

  4519.     6.7100   -2.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4520. 

  4520.     4.9620   -2.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4521. 

  4521.     4.2600   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4522. 

  4522.     3.8810   -3.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4523. 

  4523.     5.3700   -3.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4524. 

  4524.     6.4500   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4525. 

  4525.     6.0710   -4.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4526. 

  4526.     4.3240   -5.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4527. 

  4527.     3.4640   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4528. 

  4528.     3.4870   -5.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4529. 

  4529.     5.1840   -5.8640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4530. 

  4530.     4.7840    2.8970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4531. 

  4531.     6.6460    1.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4532. 

  4532.     6.2380    2.5290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4533. 

  4533.     8.1000    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4534. 

  4534.     9.1460    1.7920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4535. 

  4535.     8.8200    2.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4536. 

  4536.    10.6000    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4537. 

  4537.     8.5080   -0.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4538. 

  4538.    11.7530    2.3830    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4539. 

  4539.    11.6740    3.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4540. 

  4540.    13.0220    1.5830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4541. 

  4541.    14.4150    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4542. 

  4542.    14.8600    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4543. 

  4543.    15.5300    2.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4544. 

  4544.    13.9700    3.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4545. 

  4545.    12.6540    0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4546. 

  4546.    13.4220   -0.7930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4547. 

  4547.    11.1570    0.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4548. 

  4548.    10.5170   -0.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4549. 

  4549.   1 12  1  0  0  0  0
    4550. 

  4550.   1 11  1  0  0  0  0
    4551. 

  4551.   1  7  1  0  0  0  0
    4552. 

  4552.   1  2  1  0  0  0  0
    4553. 

  4553.   2 13  1  0  0  0  0
    4554. 

  4554.   2  3  1  0  0  0  0
    4555. 

  4555.   2 19  1  0  0  0  0
    4556. 

  4556.   3  5  1  0  0  0  0
    4557. 

  4557.   3  4  1  0  0  0  0
    4558. 

  4558.   3  6  1  0  0  0  0
    4559. 

  4559.   6 22  1  0  0  0  0
    4560. 

  4560.   7  9  1  0  0  0  0
    4561. 

  4561.   7  8  1  0  0  0  0
    4562. 

  4562.   7 10  1  0  0  0  0
    4563. 

  4563.  13 15  1  0  0  0  0
    4564. 

  4564.  13 14  1  0  0  0  0
    4565. 

  4565.  13 16  1  0  0  0  0
    4566. 

  4566.  16 18  1  0  0  0  0
    4567. 

  4567.  16 17  1  0  0  0  0
    4568. 

  4568.  16 19  1  0  0  0  0
    4569. 

  4569.  19 20  1  0  0  0  0
    4570. 

  4570.  19 21  1  0  0  0  0
    4571. 

  4571.  22 23  1  0  0  0  0
    4572. 

  4572.  22 40  2  0  0  0  0
    4573. 

  4573.  23 24  1  0  0  0  0
    4574. 

  4574.  23 25  1  0  0  0  0
    4575. 

  4575.  25 27  1  0  0  0  0
    4576. 

  4576.  25 26  1  0  0  0  0
    4577. 

  4577.  25 41  1  0  0  0  0
    4578. 

  4578.  27 29  1  0  0  0  0
    4579. 

  4579.  27 28  1  0  0  0  0
    4580. 

  4580.  27 30  1  0  0  0  0
    4581. 

  4581.  30 32  1  0  0  0  0
    4582. 

  4582.  30 31  1  0  0  0  0
    4583. 

  4583.  30 33  1  0  0  0  0
    4584. 

  4584.  33 35  1  0  0  0  0
    4585. 

  4585.  33 34  1  0  0  0  0
    4586. 

  4586.  33 36  1  0  0  0  0
    4587. 

  4587.  36 38  1  0  0  0  0
    4588. 

  4588.  36 37  1  0  0  0  0
    4589. 

  4589.  36 39  1  0  0  0  0
    4590. 

  4590.  41 42  2  0  0  0  0
    4591. 

  4591.  41 43  1  0  0  0  0
    4592. 

  4592.  43 44  1  0  0  0  0
    4593. 

  4593.  43 47  2  0  0  0  0
    4594. 

  4594.  44 45  1  0  0  0  0
    4595. 

  4595.  44 46  1  0  0  0  0
    4596. 

  4596.  46 48  2  0  0  0  0
    4597. 

  4597.  46 57  1  0  0  0  0
    4598. 

  4598.  48 49  1  0  0  0  0
    4599. 

  4599.  48 50  1  0  0  0  0
    4600. 

  4600.  50 51  1  0  0  0  0
    4601. 

  4601.  50 55  1  0  0  0  0
    4602. 

  4602.  51 53  1  0  0  0  0
    4603. 

  4603.  51 52  1  0  0  0  0
    4604. 

  4604.  51 54  1  0  0  0  0
    4605. 

  4605.  55 56  1  0  0  0  0
    4606. 

  4606.  55 57  2  0  0  0  0
    4607. 

  4607.  57 58  1  0  0  0  0
    4608. 

  4608. M  CHG  1  48   1
    4609. 

  4609. M  END
    4610. 

  4610. >  <ID>
    4611. 

  4611. Tav_29
    4612. 

  4612. 

  4613. >  <Cathepsin L nM>
    4614. 

  4614. 129.2
    4615. 

  4615. 

  4616. >  <Cathepsin B nM>
    4617. 

  4617. 12631
    4618. 

  4618. 

  4619. > <FP:MACCS>
    4620. 

  4620. 11 23 38 43 49 52 53 65 66 69 72 75 77 79 80 83 90 91 92 93 94 95 96 97 104 106 108 109 110 111 112 114 115 116 117 118 120 121 122 123 124 126 128 129 131 133 135 136 137 140 141 142 146 147 148 149 151 152 153 154 155 156 157 158 159 160 161 162 164 165
    4621. 

  4621. 

  4622. $$$$
    4623. 

  4623. Tav_30
    4624. 

  4624.   MOE2005           2D
    4625. 

  4625. 

  4626.  61 62  0  0  1  0  0  0  0  0999 V2000
    4627. 

  4627.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4628. 

  4628.    -1.4840    0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4629. 

  4629.    -0.7110    1.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4630. 

  4630.    -1.8310    1.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4631. 

  4631.    -0.4820    2.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4632. 

  4632.     0.7890    1.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4633. 

  4633.     0.5500   -1.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4634. 

  4634.    -0.0090   -1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4635. 

  4635.     0.9890   -2.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4636. 

  4636.     1.6660   -0.9560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4637. 

  4637.    -0.0310    1.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4638. 

  4638.     1.1760    0.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4639. 

  4639.    -2.8950    0.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4640. 

  4640.    -2.4890    1.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4641. 

  4641.    -4.0240    1.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4642. 

  4642.    -3.4020   -0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4643. 

  4643.    -4.5320   -0.2770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4644. 

  4644.    -3.8080   -1.8120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4645. 

  4645.    -1.9910   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4646. 

  4646.    -1.4260   -1.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4647. 

  4647.    -2.3960   -2.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4648. 

  4648.     1.5620    2.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4649. 

  4649.     3.0620    2.7400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4650. 

  4650.     3.6430    1.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4651. 

  4651.     3.8340    4.0260    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4652. 

  4652.     4.4340    5.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4653. 

  4653.     3.1080    5.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4654. 

  4654.     2.1750    4.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4655. 

  4655.     2.2020    6.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4656. 

  4656.     3.8800    6.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4657. 

  4657.     4.7860    5.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4658. 

  4658.     4.8130    7.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4659. 

  4659.     3.1530    7.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4660. 

  4660.     2.2210    7.1810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4661. 

  4661.     2.2480    8.7230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4662. 

  4662.     3.9260    9.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4663. 

  4663.     4.9550    8.6030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4664. 

  4664.     4.5440   10.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4665. 

  4665.     2.8980    9.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4666. 

  4666.     0.8350    4.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4667. 

  4667.     5.3340    3.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4668. 

  4668.     6.1070    5.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4669. 

  4669.     6.0610    2.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4670. 

  4670.     7.5610    2.6610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4671. 

  4671.     8.1790    3.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4672. 

  4672.     8.2880    1.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4673. 

  4673.     5.2880    1.4020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4674. 

  4674.     9.7770    1.1660    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4675. 

  4675.    10.8000    2.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4676. 

  4676.     9.7940    2.9160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4677. 

  4677.    11.2690    3.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4678. 

  4678.    12.2610    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4679. 

  4679.    11.9910    0.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4680. 

  4680.    13.4310    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4681. 

  4681.    12.5320    3.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4682. 

  4682.    10.0630   -0.3070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4683. 

  4683.    11.1500   -0.8140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4684. 

  4684.     8.7510   -1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4685. 

  4685.     8.6040   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4686. 

  4686.     7.6540   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4687. 

  4687.     6.4760   -0.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4688. 

  4688.   1 12  1  0  0  0  0
    4689. 

  4689.   1 11  1  0  0  0  0
    4690. 

  4690.   1  7  1  0  0  0  0
    4691. 

  4691.   1  2  1  0  0  0  0
    4692. 

  4692.   2 13  1  0  0  0  0
    4693. 

  4693.   2  3  1  0  0  0  0
    4694. 

  4694.   2 19  1  0  0  0  0
    4695. 

  4695.   3  5  1  0  0  0  0
    4696. 

  4696.   3  4  1  0  0  0  0
    4697. 

  4697.   3  6  1  0  0  0  0
    4698. 

  4698.   6 22  1  0  0  0  0
    4699. 

  4699.   7  9  1  0  0  0  0
    4700. 

  4700.   7  8  1  0  0  0  0
    4701. 

  4701.   7 10  1  0  0  0  0
    4702. 

  4702.  13 15  1  0  0  0  0
    4703. 

  4703.  13 14  1  0  0  0  0
    4704. 

  4704.  13 16  1  0  0  0  0
    4705. 

  4705.  16 18  1  0  0  0  0
    4706. 

  4706.  16 17  1  0  0  0  0
    4707. 

  4707.  16 19  1  0  0  0  0
    4708. 

  4708.  19 20  1  0  0  0  0
    4709. 

  4709.  19 21  1  0  0  0  0
    4710. 

  4710.  22 23  1  0  0  0  0
    4711. 

  4711.  22 40  2  0  0  0  0
    4712. 

  4712.  23 24  1  0  0  0  0
    4713. 

  4713.  23 25  1  0  0  0  0
    4714. 

  4714.  25 27  1  0  0  0  0
    4715. 

  4715.  25 26  1  0  0  0  0
    4716. 

  4716.  25 41  1  0  0  0  0
    4717. 

  4717.  27 29  1  0  0  0  0
    4718. 

  4718.  27 28  1  0  0  0  0
    4719. 

  4719.  27 30  1  0  0  0  0
    4720. 

  4720.  30 32  1  0  0  0  0
    4721. 

  4721.  30 31  1  0  0  0  0
    4722. 

  4722.  30 33  1  0  0  0  0
    4723. 

  4723.  33 35  1  0  0  0  0
    4724. 

  4724.  33 34  1  0  0  0  0
    4725. 

  4725.  33 36  1  0  0  0  0
    4726. 

  4726.  36 38  1  0  0  0  0
    4727. 

  4727.  36 37  1  0  0  0  0
    4728. 

  4728.  36 39  1  0  0  0  0
    4729. 

  4729.  41 42  2  0  0  0  0
    4730. 

  4730.  41 43  1  0  0  0  0
    4731. 

  4731.  43 44  1  0  0  0  0
    4732. 

  4732.  43 47  2  0  0  0  0
    4733. 

  4733.  44 45  1  0  0  0  0
    4734. 

  4734.  44 46  1  0  0  0  0
    4735. 

  4735.  46 48  2  0  0  0  0
    4736. 

  4736.  46 60  1  0  0  0  0
    4737. 

  4737.  48 49  1  0  0  0  0
    4738. 

  4738.  48 56  1  0  0  0  0
    4739. 

  4739.  49 51  1  0  0  0  0
    4740. 

  4740.  49 50  1  0  0  0  0
    4741. 

  4741.  49 52  1  0  0  0  0
    4742. 

  4742.  52 54  1  0  0  0  0
    4743. 

  4743.  52 53  1  0  0  0  0
    4744. 

  4744.  52 55  1  0  0  0  0
    4745. 

  4745.  56 57  1  0  0  0  0
    4746. 

  4746.  56 58  1  0  0  0  0
    4747. 

  4747.  58 59  1  0  0  0  0
    4748. 

  4748.  58 60  2  0  0  0  0
    4749. 

  4749.  60 61  1  0  0  0  0
    4750. 

  4750. M  CHG  1  48   1
    4751. 

  4751. M  END
    4752. 

  4752. >  <ID>
    4753. 

  4753. Tav_30
    4754. 

  4754. 

  4755. >  <Cathepsin L nM>
    4756. 

  4756. 12480
    4757. 

  4757. 

  4758. >  <Cathepsin B nM>
    4759. 

  4759. 12480
    4760. 

  4760. 

  4761. > <FP:MACCS>
    4762. 

  4762. 11 23 38 49 52 53 54 65 66 69 72 75 77 79 80 83 90 91 92 94 95 96 97 100 104 106 108 109 110 111 112 114 115 116 117 118 120 121 122 123 124 126 128 129 131 133 135 136 137 138 140 141 142 144 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 164 165
    4763. 

  4763. 

  4764. $$$$
    4765. 

  4765. Tav_31
    4766. 

  4766.   MOE2005           2D
    4767. 

  4767. 

  4768.  64 65  0  0  1  0  0  0  0  0999 V2000
    4769. 

  4769.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4770. 

  4770.     0.7520   -1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4771. 

  4771.     1.6630   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4772. 

  4772.     0.5980    0.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4773. 

  4773.     2.0230    1.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4774. 

  4774.     3.1510   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4775. 

  4775.    -1.5000   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4776. 

  4776.    -1.5020    1.1980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4777. 

  4777.    -2.7000   -0.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4778. 

  4778.    -1.4990   -0.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4779. 

  4779.     1.1270    0.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4780. 

  4780.    -0.2100    1.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4781. 

  4781.    -0.3750   -2.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4782. 

  4782.    -0.7710   -1.8380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4783. 

  4783.    -1.2760   -3.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4784. 

  4784.     0.6160   -3.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4785. 

  4785.    -0.2850   -4.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4786. 

  4786.     1.4080   -4.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4787. 

  4787.     1.7420   -2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4788. 

  4788.     2.6440   -1.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4789. 

  4789.     2.5350   -3.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4790. 

  4790.     4.0620    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4791. 

  4791.     5.5500    0.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4792. 

  4792.     6.0100   -0.4110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4793. 

  4793.     6.4610    1.8880    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4794. 

  4794.     5.3020    2.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4795. 

  4795.     5.8850    3.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4796. 

  4796.     4.8740    2.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4797. 

  4797.     5.0730    4.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4798. 

  4798.     6.7970    4.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4799. 

  4799.     7.6090    3.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4800. 

  4800.     7.8080    5.1110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4801. 

  4801.     6.2210    5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4802. 

  4802.     5.2100    5.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4803. 

  4803.     5.4090    6.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4804. 

  4804.     7.1320    7.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4805. 

  4805.     8.0850    6.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4806. 

  4806.     7.8620    7.9940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4807. 

  4807.     6.1790    7.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4808. 

  4808.     3.4860    2.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4809. 

  4809.     7.9490    1.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4810. 

  4810.     8.8600    2.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4811. 

  4811.     8.5240    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4812. 

  4812.    10.0120    0.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4813. 

  4813.    10.7410    1.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4814. 

  4814.    10.5880   -1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4815. 

  4815.     7.6130   -0.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4816. 

  4816.    12.0470   -1.6170    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4817. 

  4817.    13.1860   -0.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4818. 

  4818.    14.0350    0.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4819. 

  4819.    14.6010   -1.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4820. 

  4820.    14.2020   -2.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4821. 

  4821.    15.7330   -1.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4822. 

  4822.    15.0000   -0.0090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4823. 

  4823.    12.9110    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4824. 

  4824.    14.0900    1.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4825. 

  4825.    12.6900    2.0130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4826. 

  4826.    11.7310    0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4827. 

  4827.    12.1670   -3.1120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4828. 

  4828.    13.1910   -3.7380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4829. 

  4829.    10.7820   -3.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4830. 

  4830.    10.5030   -4.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4831. 

  4831.     9.8060   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4832. 

  4832.     8.6100   -2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4833. 

  4833.   1 12  1  0  0  0  0
    4834. 

  4834.   1 11  1  0  0  0  0
    4835. 

  4835.   1  7  1  0  0  0  0
    4836. 

  4836.   1  2  1  0  0  0  0
    4837. 

  4837.   2 13  1  0  0  0  0
    4838. 

  4838.   2  3  1  0  0  0  0
    4839. 

  4839.   2 19  1  0  0  0  0
    4840. 

  4840.   3  5  1  0  0  0  0
    4841. 

  4841.   3  4  1  0  0  0  0
    4842. 

  4842.   3  6  1  0  0  0  0
    4843. 

  4843.   6 22  1  0  0  0  0
    4844. 

  4844.   7  9  1  0  0  0  0
    4845. 

  4845.   7  8  1  0  0  0  0
    4846. 

  4846.   7 10  1  0  0  0  0
    4847. 

  4847.  13 15  1  0  0  0  0
    4848. 

  4848.  13 14  1  0  0  0  0
    4849. 

  4849.  13 16  1  0  0  0  0
    4850. 

  4850.  16 18  1  0  0  0  0
    4851. 

  4851.  16 17  1  0  0  0  0
    4852. 

  4852.  16 19  1  0  0  0  0
    4853. 

  4853.  19 20  1  0  0  0  0
    4854. 

  4854.  19 21  1  0  0  0  0
    4855. 

  4855.  22 23  1  0  0  0  0
    4856. 

  4856.  22 40  2  0  0  0  0
    4857. 

  4857.  23 24  1  0  0  0  0
    4858. 

  4858.  23 25  1  0  0  0  0
    4859. 

  4859.  25 27  1  0  0  0  0
    4860. 

  4860.  25 26  1  0  0  0  0
    4861. 

  4861.  25 41  1  0  0  0  0
    4862. 

  4862.  27 29  1  0  0  0  0
    4863. 

  4863.  27 28  1  0  0  0  0
    4864. 

  4864.  27 30  1  0  0  0  0
    4865. 

  4865.  30 32  1  0  0  0  0
    4866. 

  4866.  30 31  1  0  0  0  0
    4867. 

  4867.  30 33  1  0  0  0  0
    4868. 

  4868.  33 35  1  0  0  0  0
    4869. 

  4869.  33 34  1  0  0  0  0
    4870. 

  4870.  33 36  1  0  0  0  0
    4871. 

  4871.  36 38  1  0  0  0  0
    4872. 

  4872.  36 37  1  0  0  0  0
    4873. 

  4873.  36 39  1  0  0  0  0
    4874. 

  4874.  41 42  2  0  0  0  0
    4875. 

  4875.  41 43  1  0  0  0  0
    4876. 

  4876.  43 44  1  0  0  0  0
    4877. 

  4877.  43 47  2  0  0  0  0
    4878. 

  4878.  44 45  1  0  0  0  0
    4879. 

  4879.  44 46  1  0  0  0  0
    4880. 

  4880.  46 48  2  0  0  0  0
    4881. 

  4881.  46 63  1  0  0  0  0
    4882. 

  4882.  48 49  1  0  0  0  0
    4883. 

  4883.  48 59  1  0  0  0  0
    4884. 

  4884.  49 51  1  0  0  0  0
    4885. 

  4885.  49 50  1  0  0  0  0
    4886. 

  4886.  49 55  1  0  0  0  0
    4887. 

  4887.  51 53  1  0  0  0  0
    4888. 

  4888.  51 52  1  0  0  0  0
    4889. 

  4889.  51 54  1  0  0  0  0
    4890. 

  4890.  55 57  1  0  0  0  0
    4891. 

  4891.  55 56  1  0  0  0  0
    4892. 

  4892.  55 58  1  0  0  0  0
    4893. 

  4893.  59 60  1  0  0  0  0
    4894. 

  4894.  59 61  1  0  0  0  0
    4895. 

  4895.  61 62  1  0  0  0  0
    4896. 

  4896.  61 63  2  0  0  0  0
    4897. 

  4897.  63 64  1  0  0  0  0
    4898. 

  4898. M  CHG  1  48   1
    4899. 

  4899. M  END
    4900. 

  4900. >  <ID>
    4901. 

  4901. Tav_31
    4902. 

  4902. 

  4903. >  <Cathepsin L nM>
    4904. 

  4904. 12420
    4905. 

  4905. 

  4906. >  <Cathepsin B nM>
    4907. 

  4907. 12422
    4908. 

  4908. 

  4909. > <FP:MACCS>
    4910. 

  4910. 11 23 38 49 52 53 54 65 66 69 72 74 75 77 79 80 83 90 91 92 94 95 96 97 104 106 108 109 110 111 112 114 115 116 117 118 120 121 122 123 124 126 128 129 131 133 135 136 137 140 141 142 144 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 164 165
    4911. 

  4911. 

  4912. $$$$
    4913. 

  4913. Tav_13
    4914. 

  4914.   MOE2005           2D
    4915. 

  4915. 

  4916.  58 59  0  0  1  0  0  0  0  0999 V2000
    4917. 

  4917.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4918. 

  4918.     0.7460   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4919. 

  4919.     1.6630   -0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4920. 

  4920.     0.6000    0.4430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4921. 

  4921.     2.0270    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4922. 

  4922.     3.1490   -0.3150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4923. 

  4923.    -1.5000    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4924. 

  4924.    -1.4960    1.2050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4925. 

  4925.    -2.7000    0.0090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4926. 

  4926.    -1.5020   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4927. 

  4927.     1.1290    0.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4928. 

  4928.    -0.2040    1.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4929. 

  4929.    -0.3850   -2.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4930. 

  4930.    -0.7800   -1.8340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4931. 

  4931.    -1.2900   -3.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4932. 

  4932.     0.6000   -3.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4933. 

  4933.    -0.3050   -4.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4934. 

  4934.     1.3880   -4.3230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4935. 

  4935.     1.7310   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4936. 

  4936.     2.6360   -1.6440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4937. 

  4937.     2.5190   -3.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4938. 

  4938.     4.0660    0.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4939. 

  4939.     5.5530    0.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4940. 

  4940.     6.0080   -0.4390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4941. 

  4941.     6.4700    1.8580    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4942. 

  4942.     5.3110    2.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4943. 

  4943.     5.9010    3.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4944. 

  4944.     4.8860    2.6040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4945. 

  4945.     5.0930    4.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4946. 

  4946.     6.8180    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4947. 

  4947.     7.6250    3.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4948. 

  4948.     7.8320    5.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4949. 

  4949.     6.2480    5.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4950. 

  4950.     5.2340    5.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4951. 

  4951.     5.4400    6.7080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4952. 

  4952.     7.1650    7.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4953. 

  4953.     8.1150    6.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4954. 

  4954.     7.8990    7.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4955. 

  4955.     6.2160    7.7410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4956. 

  4956.     3.4970    2.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4957. 

  4957.     7.9560    1.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4958. 

  4958.     8.8740    2.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4959. 

  4959.     8.5260    0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4960. 

  4960.    10.0120    0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4961. 

  4961.    10.7460    1.0180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4962. 

  4962.    10.5820   -1.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4963. 

  4963.     7.6090   -0.9180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4964. 

  4964.    12.0390   -1.6740    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4965. 

  4965.    13.1830   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4966. 

  4966.    13.9590   -1.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4967. 

  4967.    14.0980    0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4968. 

  4968.    12.4070    0.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4969. 

  4969.    12.1520   -3.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4970. 

  4970.    13.1730   -3.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4971. 

  4971.    10.7640   -3.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4972. 

  4972.    10.4800   -4.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4973. 

  4973.     9.7940   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4974. 

  4974.     8.5970   -2.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4975. 

  4975.   1 12  1  0  0  0  0
    4976. 

  4976.   1 11  1  0  0  0  0
    4977. 

  4977.   1  7  1  0  0  0  0
    4978. 

  4978.   1  2  1  0  0  0  0
    4979. 

  4979.   2 13  1  0  0  0  0
    4980. 

  4980.   2  3  1  0  0  0  0
    4981. 

  4981.   2 19  1  0  0  0  0
    4982. 

  4982.   3  5  1  0  0  0  0
    4983. 

  4983.   3  4  1  0  0  0  0
    4984. 

  4984.   3  6  1  0  0  0  0
    4985. 

  4985.   6 22  1  0  0  0  0
    4986. 

  4986.   7  9  1  0  0  0  0
    4987. 

  4987.   7  8  1  0  0  0  0
    4988. 

  4988.   7 10  1  0  0  0  0
    4989. 

  4989.  13 15  1  0  0  0  0
    4990. 

  4990.  13 14  1  0  0  0  0
    4991. 

  4991.  13 16  1  0  0  0  0
    4992. 

  4992.  16 18  1  0  0  0  0
    4993. 

  4993.  16 17  1  0  0  0  0
    4994. 

  4994.  16 19  1  0  0  0  0
    4995. 

  4995.  19 20  1  0  0  0  0
    4996. 

  4996.  19 21  1  0  0  0  0
    4997. 

  4997.  22 23  1  0  0  0  0
    4998. 

  4998.  22 40  2  0  0  0  0
    4999. 

  4999.  23 24  1  0  0  0  0
    5000. 

  5000.  23 25  1  0  0  0  0
    5001. 

  5001.  25 27  1  0  0  0  0
    5002. 

  5002.  25 26  1  0  0  0  0
    5003. 

  5003.  25 41  1  0  0  0  0
    5004. 

  5004.  27 29  1  0  0  0  0
    5005. 

  5005.  27 28  1  0  0  0  0
    5006. 

  5006.  27 30  1  0  0  0  0
    5007. 

  5007.  30 32  1  0  0  0  0
    5008. 

  5008.  30 31  1  0  0  0  0
    5009. 

  5009.  30 33  1  0  0  0  0
    5010. 

  5010.  33 35  1  0  0  0  0
    5011. 

  5011.  33 34  1  0  0  0  0
    5012. 

  5012.  33 36  1  0  0  0  0
    5013. 

  5013.  36 38  1  0  0  0  0
    5014. 

  5014.  36 37  1  0  0  0  0
    5015. 

  5015.  36 39  1  0  0  0  0
    5016. 

  5016.  41 42  2  0  0  0  0
    5017. 

  5017.  41 43  1  0  0  0  0
    5018. 

  5018.  43 44  1  0  0  0  0
    5019. 

  5019.  43 47  2  0  0  0  0
    5020. 

  5020.  44 45  1  0  0  0  0
    5021. 

  5021.  44 46  1  0  0  0  0
    5022. 

  5022.  46 48  2  0  0  0  0
    5023. 

  5023.  46 57  1  0  0  0  0
    5024. 

  5024.  48 49  1  0  0  0  0
    5025. 

  5025.  48 53  1  0  0  0  0
    5026. 

  5026.  49 51  1  0  0  0  0
    5027. 

  5027.  49 50  1  0  0  0  0
    5028. 

  5028.  49 52  1  0  0  0  0
    5029. 

  5029.  53 54  1  0  0  0  0
    5030. 

  5030.  53 55  1  0  0  0  0
    5031. 

  5031.  55 56  1  0  0  0  0
    5032. 

  5032.  55 57  2  0  0  0  0
    5033. 

  5033.  57 58  1  0  0  0  0
    5034. 

  5034. M  CHG  1  48   1
    5035. 

  5035. M  END
    5036. 

  5036. >  <ID>
    5037. 

  5037. Tav_13
    5038. 

  5038. 

  5039. >  <Cathepsin L nM>
    5040. 

  5040. 12400
    5041. 

  5041. 

  5042. >  <Cathepsin B nM>
    5043. 

  5043. 12400
    5044. 

  5044. 

  5045. > <FP:MACCS>
    5046. 

  5046. 11 23 38 49 52 53 54 65 66 69 72 75 77 79 80 83 90 91 92 93 94 95 96 97 104 106 108 109 110 111 112 114 115 116 117 118 120 121 122 123 124 126 128 129 131 133 135 136 137 140 141 142 144 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 164 165
    5047. 

  5047. 

  5048. $$$$
    5049. 

  5049. Ryd_19
    5050. 

  5050.   MOE2005           2D
    5051. 

  5051. 

  5052.  50 50  0  0  1  0  0  0  0  0999 V2000
    5053. 

  5053.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5054. 

  5054.     0.7560   -1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5055. 

  5055.     3.0050   -2.7400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5056. 

  5056.     3.3250   -4.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5057. 

  5057.     4.4640   -3.8290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5058. 

  5058.     3.8180   -5.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5059. 

  5059.     4.1640   -3.0510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5060. 

  5060.     1.5130   -2.5910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5061. 

  5061.     0.9100   -3.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5062. 

  5062.     2.0290   -4.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5063. 

  5063.     2.7390   -5.9290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5064. 

  5064.     1.1420   -5.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5065. 

  5065.    -0.1330   -3.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5066. 

  5066.     0.2090   -4.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5067. 

  5067.     4.0040   -1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5068. 

  5068.     3.5330   -0.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5069. 

  5069.     6.4700   -0.8050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5070. 

  5070.     6.0000    0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5071. 

  5071.     4.9430    0.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5072. 

  5072.     5.2560    1.5610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5073. 

  5073.     6.9980    1.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5074. 

  5074.     7.8460    2.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5075. 

  5075.     6.5270    3.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5076. 

  5076.     7.6670    3.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5077. 

  5077.     6.1510    4.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5078. 

  5078.     5.3880    2.7860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5079. 

  5079.     8.4670    1.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5080. 

  5080.     8.2230    0.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5081. 

  5081.     9.6420    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5082. 

  5082.     8.7100    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5083. 

  5083.     6.7810   -1.9640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5084. 

  5084.     5.4720   -1.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5085. 

  5085.     5.8490   -3.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5086. 

  5086.     7.9390   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5087. 

  5087.     8.9370    0.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5088. 

  5088.     9.8790   -2.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5089. 

  5089.     9.9140   -1.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5090. 

  5090.    11.0660   -2.6660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5091. 

  5091.     8.4100   -2.5340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5092. 

  5092.     7.6110   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5093. 

  5093.    10.3490   -4.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5094. 

  5094.    11.8180   -4.5680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5095. 

  5095.    12.2880   -5.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5096. 

  5096.    11.1010   -6.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5097. 

  5097.    12.2530   -7.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5098. 

  5098.    13.7570   -6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5099. 

  5099.    13.5140   -7.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5100. 

  5100.    14.9320   -6.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5101. 

  5101.    14.0010   -5.1210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5102. 

  5102.     9.3510   -5.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5103. 

  5103.   1  2  3  0  0  0  0
    5104. 

  5104.   2  8  1  0  0  0  0
    5105. 

  5105.   3  8  1  0  0  0  0
    5106. 

  5106.   3 15  1  0  0  0  0
    5107. 

  5107.   3  7  1  0  0  0  0
    5108. 

  5108.   3  4  1  0  0  0  0
    5109. 

  5109.   4  6  1  0  0  0  0
    5110. 

  5110.   4  5  1  0  0  0  0
    5111. 

  5111.   4 10  1  0  0  0  0
    5112. 

  5112.   8  9  1  0  0  0  0
    5113. 

  5113.   9 13  1  0  0  0  0
    5114. 

  5114.   9 14  1  0  0  0  0
    5115. 

  5115.   9 10  1  0  0  0  0
    5116. 

  5116.  10 11  1  0  0  0  0
    5117. 

  5117.  10 12  1  0  0  0  0
    5118. 

  5118.  15 16  2  0  0  0  0
    5119. 

  5119.  15 32  1  0  0  0  0
    5120. 

  5120.  17 32  1  0  0  0  0
    5121. 

  5121.  17 34  1  0  0  0  0
    5122. 

  5122.  17 31  1  0  0  0  0
    5123. 

  5123.  17 18  1  0  0  0  0
    5124. 

  5124.  18 20  1  0  0  0  0
    5125. 

  5125.  18 19  1  0  0  0  0
    5126. 

  5126.  18 21  1  0  0  0  0
    5127. 

  5127.  21 23  1  0  0  0  0
    5128. 

  5128.  21 22  1  0  0  0  0
    5129. 

  5129.  21 27  1  0  0  0  0
    5130. 

  5130.  23 25  1  0  0  0  0
    5131. 

  5131.  23 24  1  0  0  0  0
    5132. 

  5132.  23 26  1  0  0  0  0
    5133. 

  5133.  27 29  1  0  0  0  0
    5134. 

  5134.  27 28  1  0  0  0  0
    5135. 

  5135.  27 30  1  0  0  0  0
    5136. 

  5136.  32 33  1  0  0  0  0
    5137. 

  5137.  34 35  2  0  0  0  0
    5138. 

  5138.  34 39  1  0  0  0  0
    5139. 

  5139.  36 39  1  0  0  0  0
    5140. 

  5140.  36 41  1  0  0  0  0
    5141. 

  5141.  36 38  1  0  0  0  0
    5142. 

  5142.  36 37  1  0  0  0  0
    5143. 

  5143.  39 40  1  0  0  0  0
    5144. 

  5144.  41 42  1  0  0  0  0
    5145. 

  5145.  41 50  2  0  0  0  0
    5146. 

  5146.  42 43  1  0  0  0  0
    5147. 

  5147.  43 45  1  0  0  0  0
    5148. 

  5148.  43 44  1  0  0  0  0
    5149. 

  5149.  43 46  1  0  0  0  0
    5150. 

  5150.  46 48  1  0  0  0  0
    5151. 

  5151.  46 47  1  0  0  0  0
    5152. 

  5152.  46 49  1  0  0  0  0
    5153. 

  5153. M  END
    5154. 

  5154. >  <ID>
    5155. 

  5155. Ryd_19
    5156. 

  5156. 

  5157. >  <Cathepsin L nM>
    5158. 

  5158. 8000
    5159. 

  5159. 

  5160. >  <Cathepsin B nM>
    5161. 

  5161. 10600
    5162. 

  5162. 

  5163. > <FP:MACCS>
    5164. 

  5164. 41 54 74 75 77 79 82 83 85 90 91 92 95 96 100 104 108 109 110 111 114 115 117 121 122 123 126 128 129 131 132 136 137 138 140 141 142 146 147 148 149 150 151 153 154 155 156 157 158 159 160 161 164 165
    5165. 

  5165. 

  5166. $$$$
    5167. 

  5167. Tri18e
    5168. 

  5168.   MOE2005           2D
    5169. 

  5169. 

  5170.  42 43  0  0  0  0  0  0  0  0999 V2000
    5171. 

  5171.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5172. 

  5172.     0.7590    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5173. 

  5173.     1.5170    2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5174. 

  5174.     2.4310    1.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5175. 

  5175.     2.4420    3.3530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5176. 

  5176.     0.7760    3.8920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5177. 

  5177.    -0.4240    3.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5178. 

  5178.     1.5340    5.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5179. 

  5179.     0.7930    6.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5180. 

  5180.     2.2930    6.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5181. 

  5181.     2.5900    5.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5182. 

  5182.     3.0340    5.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5183. 

  5183.     0.8030    7.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5184. 

  5184.     1.9830    7.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5185. 

  5185.     1.2210    9.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5186. 

  5186.    -0.4910    8.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5187. 

  5187.     0.2860    9.6630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5188. 

  5188.    -1.2560    9.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5189. 

  5189.    -1.7950    8.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5190. 

  5190.    -2.1980    9.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5191. 

  5191.    -2.9780    7.8070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5192. 

  5192.    -1.8050    6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5193. 

  5193.    -2.9850    6.7240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5194. 

  5194.    -2.2230    5.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5195. 

  5195.    -0.5110    5.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5196. 

  5196.     0.2540    4.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5197. 

  5197.    -1.2880    4.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5198. 

  5198.     3.0520    7.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5199. 

  5199.     4.5520    7.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5200. 

  5200.     2.3100    9.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5201. 

  5201.     5.2930    6.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5202. 

  5202.     4.6860    5.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5203. 

  5203.     6.7930    6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5204. 

  5204.     7.3860    5.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5205. 

  5205.     7.5520    7.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5206. 

  5206.     9.0520    7.7340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5207. 

  5207.     9.6450    6.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5208. 

  5208.     9.6580    8.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5209. 

  5209.     6.8100    9.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5210. 

  5210.     7.4170   10.0840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5211. 

  5211.     5.3100    9.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5212. 

  5212.     4.7170   10.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5213. 

  5213.   1  2  3  0  0  0  0
    5214. 

  5214.   2  3  1  0  0  0  0
    5215. 

  5215.   3  5  1  0  0  0  0
    5216. 

  5216.   3  4  1  0  0  0  0
    5217. 

  5217.   3  6  1  0  0  0  0
    5218. 

  5218.   6  7  1  0  0  0  0
    5219. 

  5219.   6  8  1  0  0  0  0
    5220. 

  5220.   8  9  1  0  0  0  0
    5221. 

  5221.   8 12  2  0  0  0  0
    5222. 

  5222.   9 13  1  0  0  0  0
    5223. 

  5223.   9 10  1  0  0  0  0
    5224. 

  5224.   9 25  1  0  0  0  0
    5225. 

  5225.  10 11  1  0  0  0  0
    5226. 

  5226.  10 28  1  0  0  0  0
    5227. 

  5227.  13 15  1  0  0  0  0
    5228. 

  5228.  13 14  1  0  0  0  0
    5229. 

  5229.  13 16  1  0  0  0  0
    5230. 

  5230.  16 18  1  0  0  0  0
    5231. 

  5231.  16 17  1  0  0  0  0
    5232. 

  5232.  16 19  1  0  0  0  0
    5233. 

  5233.  19 21  1  0  0  0  0
    5234. 

  5234.  19 20  1  0  0  0  0
    5235. 

  5235.  19 22  1  0  0  0  0
    5236. 

  5236.  22 24  1  0  0  0  0
    5237. 

  5237.  22 23  1  0  0  0  0
    5238. 

  5238.  22 25  1  0  0  0  0
    5239. 

  5239.  25 26  1  0  0  0  0
    5240. 

  5240.  25 27  1  0  0  0  0
    5241. 

  5241.  28 29  1  0  0  0  0
    5242. 

  5242.  28 30  2  0  0  0  0
    5243. 

  5243.  29 31  1  0  0  0  0
    5244. 

  5244.  29 41  2  0  0  0  0
    5245. 

  5245.  31 32  1  0  0  0  0
    5246. 

  5246.  31 33  2  0  0  0  0
    5247. 

  5247.  33 34  1  0  0  0  0
    5248. 

  5248.  33 35  1  0  0  0  0
    5249. 

  5249.  35 36  1  0  0  0  0
    5250. 

  5250.  35 39  2  0  0  0  0
    5251. 

  5251.  36 37  1  0  0  0  0
    5252. 

  5252.  36 38  1  0  0  0  0
    5253. 

  5253.  39 40  1  0  0  0  0
    5254. 

  5254.  39 41  1  0  0  0  0
    5255. 

  5255.  41 42  1  0  0  0  0
    5256. 

  5256. M  END
    5257. 

  5257. >  <ID>
    5258. 

  5258. Tri18e
    5259. 

  5259. 

  5260. >  <Cathepsin L nM>
    5261. 

  5261. 45000
    5262. 

  5262. 

  5263. >  <Cathepsin B nM>
    5264. 

  5264. 10000
    5265. 

  5265. 

  5266. > <FP:MACCS>
    5267. 

  5267. 41 54 66 79 82 84 90 91 92 95 100 104 110 111 112 117 118 128 129 131 133 135 136 142 145 147 151 153 154 155 156 158 159 161 162 163 164 165
    5268. 

  5268. 

  5269. $$$$
    5270. 

  5270. Gau_18
    5271. 

  5271.   MOE2005           2D
    5272. 

  5272. 

  5273.  60 62  0  0  1  0  0  0  0  0999 V2000
    5274. 

  5274.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5275. 

  5275.     2.2540    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5276. 

  5276.     0.7540    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5277. 

  5277.     0.7460   -1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5278. 

  5278.     2.2460   -1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5279. 

  5279.     3.0000   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5280. 

  5280.     4.5000   -0.0120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5281. 

  5281.     5.2460   -1.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5282. 

  5282.     3.9450   -2.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5283. 

  5283.     5.9930   -2.6140    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5284. 

  5284.     6.5480   -0.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5285. 

  5285.     5.2540    1.2850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5286. 

  5286.     6.7540    1.2800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5287. 

  5287.     7.5070    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5288. 

  5288.     9.0070    2.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5289. 

  5289.     6.7610    3.8790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5290. 

  5290.     9.0010    4.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5291. 

  5291.     8.4310    6.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5292. 

  5292.    -1.5000    0.0040    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5293. 

  5293.     7.5140    5.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5294. 

  5294.     6.0660    5.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5295. 

  5295.     4.6190    5.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5296. 

  5296.     7.5000   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5297. 

  5297.     8.9960   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5298. 

  5298.     9.0040    1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5299. 

  5299.     9.0000   -0.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5300. 

  5300.    10.5000   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5301. 

  5301.    10.5040    1.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5302. 

  5302.    10.4960   -1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5303. 

  5303.    12.0000   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5304. 

  5304.    12.7460   -1.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5305. 

  5305.    12.7540    1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5306. 

  5306.    14.2540    1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5307. 

  5307.    15.0000   -0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5308. 

  5308.    14.2460   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5309. 

  5309.    16.5000   -0.0450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5310. 

  5310.     2.8560    2.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5311. 

  5311.     0.1560    2.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5312. 

  5312.     0.1440   -2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5313. 

  5313.     2.8440   -2.3460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5314. 

  5314.     3.9000    1.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5315. 

  5315.     4.6560    2.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5316. 

  5316.     6.1540    2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5317. 

  5317.     5.5610    3.8820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5318. 

  5318.    10.1730    5.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5319. 

  5319.     9.0500    3.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5320. 

  5320.     9.4440    7.0050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5321. 

  5321.     7.6220    7.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5322. 

  5322.     6.9360   -0.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5323. 

  5323.     7.7050   -1.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5324. 

  5324.    11.7040    1.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5325. 

  5325.    10.5070    2.6710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5326. 

  5326.     9.9040    1.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5327. 

  5327.     9.8960   -1.5270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5328. 

  5328.    10.4930   -2.7290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5329. 

  5329.    11.6960   -1.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5330. 

  5330.    12.1440   -2.3720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5331. 

  5331.    12.1560    2.3050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5332. 

  5332.    14.8560    2.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5333. 

  5333.    14.8440   -2.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5334. 

  5334.   1 19  1  0  0  0  0
    5335. 

  5335.   1  4  2  0  0  0  0
    5336. 

  5336.   1  3  1  0  0  0  0
    5337. 

  5337.   2  6  1  0  0  0  0
    5338. 

  5338.   2 37  1  0  0  0  0
    5339. 

  5339.   2  3  2  0  0  0  0
    5340. 

  5340.   3 38  1  0  0  0  0
    5341. 

  5341.   4  5  1  0  0  0  0
    5342. 

  5342.   4 39  1  0  0  0  0
    5343. 

  5343.   5  6  2  0  0  0  0
    5344. 

  5344.   5 40  1  0  0  0  0
    5345. 

  5345.   6  7  1  0  0  0  0
    5346. 

  5346.   7 12  1  6  0  0  0
    5347. 

  5347.   7  8  1  0  0  0  0
    5348. 

  5348.   7 41  1  1  0  0  0
    5349. 

  5349.   8 10  1  0  0  0  0
    5350. 

  5350.   8  9  1  0  0  0  0
    5351. 

  5351.   8 11  1  0  0  0  0
    5352. 

  5352.  12 13  1  0  0  0  0
    5353. 

  5353.  12 42  1  0  0  0  0
    5354. 

  5354.  13 23  1  6  0  0  0
    5355. 

  5355.  13 14  1  0  0  0  0
    5356. 

  5356.  13 43  1  1  0  0  0
    5357. 

  5357.  14 15  2  0  0  0  0
    5358. 

  5358.  14 16  1  0  0  0  0
    5359. 

  5359.  16 20  1  0  0  0  0
    5360. 

  5360.  16 44  1  0  0  0  0
    5361. 

  5361.  17 20  1  0  0  0  0
    5362. 

  5362.  17 45  1  0  0  0  0
    5363. 

  5363.  17 46  1  0  0  0  0
    5364. 

  5364.  17 18  1  0  0  0  0
    5365. 

  5365.  18 20  1  0  0  0  0
    5366. 

  5366.  18 47  1  0  0  0  0
    5367. 

  5367.  18 48  1  0  0  0  0
    5368. 

  5368.  20 21  1  0  0  0  0
    5369. 

  5369.  21 22  3  0  0  0  0
    5370. 

  5370.  23 49  1  0  0  0  0
    5371. 

  5371.  23 26  1  0  0  0  0
    5372. 

  5372.  23 50  1  0  0  0  0
    5373. 

  5373.  24 26  2  0  0  0  0
    5374. 

  5374.  25 26  2  0  0  0  0
    5375. 

  5375.  26 27  1  0  0  0  0
    5376. 

  5376.  27 29  1  0  0  0  0
    5377. 

  5377.  27 28  1  0  0  0  0
    5378. 

  5378.  27 30  1  0  0  0  0
    5379. 

  5379.  28 52  1  0  0  0  0
    5380. 

  5380.  28 51  1  0  0  0  0
    5381. 

  5381.  28 53  1  0  0  0  0
    5382. 

  5382.  29 55  1  0  0  0  0
    5383. 

  5383.  29 54  1  0  0  0  0
    5384. 

  5384.  29 56  1  0  0  0  0
    5385. 

  5385.  30 31  1  0  0  0  0
    5386. 

  5386.  30 32  2  0  0  0  0
    5387. 

  5387.  31 35  2  0  0  0  0
    5388. 

  5388.  31 57  1  0  0  0  0
    5389. 

  5389.  32 58  1  0  0  0  0
    5390. 

  5390.  32 33  1  0  0  0  0
    5391. 

  5391.  33 34  2  0  0  0  0
    5392. 

  5392.  33 59  1  0  0  0  0
    5393. 

  5393.  34 35  1  0  0  0  0
    5394. 

  5394.  34 36  1  0  0  0  0
    5395. 

  5395.  35 60  1  0  0  0  0
    5396. 

  5396. M  END
    5397. 

  5397. >  <ID>
    5398. 

  5398. Gau_18
    5399. 

  5399. 

  5400. >  <Cathepsin L nM>
    5401. 

  5401. 10000
    5402. 

  5402. 

  5403. >  <Cathepsin B nM>
    5404. 

  5404. 10000
    5405. 

  5405. 

  5406. > <FP:MACCS>
    5407. 

  5407. 22 41 42 51 54 55 58 60 61 66 67 73 74 79 81 87 88 90 92 95 97 102 104 106 107 110 111 112 116 117 124 125 130 131 132 133 134 136 142 145 146 147 148 149 151 153 154 155 156 158 159 160 161 162 163 164 165
    5408. 

  5408. 

  5409. $$$$
    5410. 

  5410. Hir13f
    5411. 

  5411.   MOE2005           2D
    5412. 

  5412. 

  5413.  71 73  0  0  1  0  0  0  0  0999 V2000
    5414. 

  5414.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5415. 

  5415.    -1.5000    0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5416. 

  5416.    -2.0940    1.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5417. 

  5417.    -2.2580   -1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5418. 

  5418.    -3.4580   -1.2770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5419. 

  5419.    -1.5160   -2.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5420. 

  5420.    -2.2740   -3.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5421. 

  5421.    -3.7740   -3.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5422. 

  5422.    -3.7840   -5.3740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5423. 

  5423.    -5.2740   -3.8640    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5424. 

  5424.    -3.7650   -2.3740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5425. 

  5425.    -0.0160   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5426. 

  5426.     0.5770   -3.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5427. 

  5427.     0.7420   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5428. 

  5428.     1.9420   -1.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5429. 

  5429.     0.7580    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5430. 

  5430.     2.2580    1.2850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5431. 

  5431.     3.0160    2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5432. 

  5432.     2.5550    0.7630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5433. 

  5433.     0.0160    2.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5434. 

  5434.     4.3200    3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5435. 

  5435.     4.7230    2.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5436. 

  5436.     5.5030    3.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5437. 

  5437.     4.3290    4.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5438. 

  5438.     5.5100    4.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5439. 

  5439.     4.7470    5.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5440. 

  5440.     3.0350    5.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5441. 

  5441.     3.8120    6.4940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5442. 

  5442.     2.2690    6.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5443. 

  5443.     1.7310    4.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5444. 

  5444.     1.3280    5.9680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5445. 

  5445.     0.5480    4.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5446. 

  5446.     1.7220    3.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5447. 

  5447.     1.3040    2.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5448. 

  5448.     0.5410    3.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5449. 

  5449.     3.7580    1.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5450. 

  5450.     5.2580    1.2660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5451. 

  5451.     6.0000   -0.0380    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5452. 

  5452.     5.2420   -1.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5453. 

  5453.     5.9840   -2.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5454. 

  5454.     5.2260   -3.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5455. 

  5455.     4.1900   -3.3230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5456. 

  5456.     4.6190   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5457. 

  5457.     6.2610   -4.5360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5458. 

  5458.     6.9080   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5459. 

  5459.     6.8980   -3.4130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5460. 

  5460.     4.3270   -0.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5461. 

  5461.     4.3180   -2.0980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5462. 

  5462.     6.6000    1.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5463. 

  5463.     5.8640    2.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5464. 

  5464.     3.0000   -0.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5465. 

  5465.     7.5000   -0.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5466. 

  5466.     8.2420   -1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5467. 

  5467.     8.2580    1.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5468. 

  5468.     7.6230   -2.7170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5469. 

  5469.     8.7310   -3.7280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5470. 

  5470.    10.0350   -2.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5471. 

  5471.    11.4020   -3.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5472. 

  5472.    12.7680   -4.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5473. 

  5473.    12.2730   -5.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5474. 

  5474.    13.8610   -4.7180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5475. 

  5475.    13.2630   -3.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5476. 

  5476.    12.6210   -2.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5477. 

  5477.    13.3200   -3.7060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5478. 

  5478.    13.5960   -2.0310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5479. 

  5479.    11.9210   -1.7550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5480. 

  5480.    11.5490   -5.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5481. 

  5481.    10.3550   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5482. 

  5482.    11.6670   -6.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5483. 

  5483.    12.7430   -4.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5484. 

  5484.     9.7320   -1.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5485. 

  5485.   1 16  1  0  0  0  0
    5486. 

  5486.   1 14  2  0  0  0  0
    5487. 

  5487.   1  2  1  0  0  0  0
    5488. 

  5488.   2  3  1  0  0  0  0
    5489. 

  5489.   2  4  2  0  0  0  0
    5490. 

  5490.   4  6  1  0  0  0  0
    5491. 

  5491.   4  5  1  0  0  0  0
    5492. 

  5492.   6 12  2  0  0  0  0
    5493. 

  5493.   6  7  1  0  0  0  0
    5494. 

  5494.   7  8  1  0  0  0  0
    5495. 

  5495.   8 10  1  0  0  0  0
    5496. 

  5496.   8  9  1  0  0  0  0
    5497. 

  5497.   8 11  1  0  0  0  0
    5498. 

  5498.  12 14  1  0  0  0  0
    5499. 

  5499.  12 13  1  0  0  0  0
    5500. 

  5500.  14 15  1  0  0  0  0
    5501. 

  5501.  16 17  1  0  0  0  0
    5502. 

  5502.  16 20  2  0  0  0  0
    5503. 

  5503.  17 18  1  0  0  0  0
    5504. 

  5504.  17 19  1  0  0  0  0
    5505. 

  5505.  18 33  1  0  0  0  0
    5506. 

  5506.  18 21  1  0  0  0  0
    5507. 

  5507.  18 36  1  0  0  0  0
    5508. 

  5508.  21 23  1  0  0  0  0
    5509. 

  5509.  21 22  1  0  0  0  0
    5510. 

  5510.  21 24  1  0  0  0  0
    5511. 

  5511.  24 27  1  0  0  0  0
    5512. 

  5512.  24 26  1  0  0  0  0
    5513. 

  5513.  24 25  1  0  0  0  0
    5514. 

  5514.  27 30  1  0  0  0  0
    5515. 

  5515.  27 29  1  0  0  0  0
    5516. 

  5516.  27 28  1  0  0  0  0
    5517. 

  5517.  30 33  1  0  0  0  0
    5518. 

  5518.  30 32  1  0  0  0  0
    5519. 

  5519.  30 31  1  0  0  0  0
    5520. 

  5520.  33 34  1  0  0  0  0
    5521. 

  5521.  33 35  1  0  0  0  0
    5522. 

  5522.  36 37  1  0  0  0  0
    5523. 

  5523.  36 51  2  0  0  0  0
    5524. 

  5524.  37 38  1  0  0  0  0
    5525. 

  5525.  37 50  1  0  0  0  0
    5526. 

  5526.  38 49  1  0  0  0  0
    5527. 

  5527.  38 39  1  0  0  0  0
    5528. 

  5528.  38 52  1  0  0  0  0
    5529. 

  5529.  39 47  1  0  0  0  0
    5530. 

  5530.  39 40  1  0  0  0  0
    5531. 

  5531.  39 48  1  0  0  0  0
    5532. 

  5532.  40 45  1  0  0  0  0
    5533. 

  5533.  40 41  1  0  0  0  0
    5534. 

  5534.  40 46  1  0  0  0  0
    5535. 

  5535.  41 43  1  0  0  0  0
    5536. 

  5536.  41 42  1  0  0  0  0
    5537. 

  5537.  41 44  1  0  0  0  0
    5538. 

  5538.  52 53  1  0  0  0  0
    5539. 

  5539.  52 54  2  0  0  0  0
    5540. 

  5540.  53 55  2  0  0  0  0
    5541. 

  5541.  53 71  1  0  0  0  0
    5542. 

  5542.  55 56  1  0  0  0  0
    5543. 

  5543.  56 57  2  0  0  0  0
    5544. 

  5544.  57 58  1  0  0  0  0
    5545. 

  5545.  57 71  1  0  0  0  0
    5546. 

  5546.  58 63  1  0  0  0  0
    5547. 

  5547.  58 59  1  0  0  0  0
    5548. 

  5548.  58 67  1  0  0  0  0
    5549. 

  5549.  59 61  1  0  0  0  0
    5550. 

  5550.  59 60  1  0  0  0  0
    5551. 

  5551.  59 62  1  0  0  0  0
    5552. 

  5552.  63 65  1  0  0  0  0
    5553. 

  5553.  63 64  1  0  0  0  0
    5554. 

  5554.  63 66  1  0  0  0  0
    5555. 

  5555.  67 69  1  0  0  0  0
    5556. 

  5556.  67 68  1  0  0  0  0
    5557. 

  5557.  67 70  1  0  0  0  0
    5558. 

  5558. M  END
    5559. 

  5559. >  <ID>
    5560. 

  5560. Hir13f
    5561. 

  5561. 

  5562. >  <Cathepsin L nM>
    5563. 

  5563. 10000
    5564. 

  5564. 

  5565. >  <Cathepsin B nM>
    5566. 

  5566. 10000
    5567. 

  5567. 

  5568. > <FP:MACCS>
    5569. 

  5569. 42 52 54 57 65 66 72 74 79 80 83 90 91 92 94 95 96 97 104 106 107 110 111 112 113 114 115 117 118 120 121 124 125 126 128 129 131 133 134 136 137 140 141 142 143 145 146 147 149 151 152 154 155 156 157 158 159 160 161 162 163 164 165
    5570. 

  5570. 

  5571. $$$$
    5572. 

  5572. Rob28a
    5573. 

  5573.   MOE2005           2D
    5574. 

  5574. 

  5575.  50 52  0  0  0  0  0  0  0  0999 V2000
    5576. 

  5576.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5577. 

  5577.     1.3000   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5578. 

  5578.     2.5980    0.0020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5579. 

  5579.     1.3000   -2.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5580. 

  5580.     3.8980   -0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5581. 

  5581.     5.1960    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5582. 

  5582.     6.4950    0.7540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5583. 

  5583.    -1.2990   -0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5584. 

  5584.    -2.5980   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5585. 

  5585.    -3.8970   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5586. 

  5586.    -3.8960   -2.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5587. 

  5587.    -2.5960   -3.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5588. 

  5588.    -1.2980   -2.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5589. 

  5589.    -5.1960   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5590. 

  5590.    -6.4960    2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5591. 

  5591.    -5.1970    1.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5592. 

  5592.    -6.4950   -0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5593. 

  5593.    -7.7950    1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5594. 

  5594.    -7.7940   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5595. 

  5595.   -10.3950    4.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5596. 

  5596.   -11.6930    2.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5597. 

  5597.   -10.3930    1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5598. 

  5598.    -9.0950    3.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5599. 

  5599.    -9.0940    2.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5600. 

  5600.   -11.6940    3.7430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5601. 

  5601.   -12.9930    4.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5602. 

  5602.     0.7710    0.9200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5603. 

  5603.    -0.7720    0.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5604. 

  5604.     2.5970    1.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5605. 

  5605.     3.1270   -1.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5606. 

  5606.     4.6690   -1.6670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5607. 

  5607.    -2.5990    1.1980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5608. 

  5608.    -4.9350   -2.8530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5609. 

  5609.    -2.5960   -4.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5610. 

  5610.    -0.2580   -2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5611. 

  5611.    -6.4970    3.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5612. 

  5612.    -4.1580    2.0980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5613. 

  5613.    -6.4940   -1.9540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5614. 

  5614.    -8.8330   -0.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5615. 

  5615.    -9.6240    5.4140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5616. 

  5616.   -11.1670    5.4130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5617. 

  5617.   -12.1020    1.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5618. 

  5618.   -12.8740    2.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5619. 

  5619.   -11.1640    0.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5620. 

  5620.    -9.6210    0.5750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5621. 

  5621.    -8.6860    4.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5622. 

  5622.    -7.9140    3.5370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5623. 

  5623.   -12.3940    5.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5624. 

  5624.   -14.0320    5.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5625. 

  5625.   -13.5920    3.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5626. 

  5626.   1 28  1  0  0  0  0
    5627. 

  5627.   1 27  1  0  0  0  0
    5628. 

  5628.   1  8  1  0  0  0  0
    5629. 

  5629.   1  2  1  0  0  0  0
    5630. 

  5630.   2  3  1  0  0  0  0
    5631. 

  5631.   2  4  2  0  0  0  0
    5632. 

  5632.   3  5  1  0  0  0  0
    5633. 

  5633.   3 29  1  0  0  0  0
    5634. 

  5634.   5 30  1  0  0  0  0
    5635. 

  5635.   5  6  1  0  0  0  0
    5636. 

  5636.   5 31  1  0  0  0  0
    5637. 

  5637.   6  7  3  0  0  0  0
    5638. 

  5638.   8  9  1  0  0  0  0
    5639. 

  5639.   8 13  2  0  0  0  0
    5640. 

  5640.   9 10  2  0  0  0  0
    5641. 

  5641.   9 32  1  0  0  0  0
    5642. 

  5642.  10 11  1  0  0  0  0
    5643. 

  5643.  10 14  1  0  0  0  0
    5644. 

  5644.  11 12  2  0  0  0  0
    5645. 

  5645.  11 33  1  0  0  0  0
    5646. 

  5646.  12 34  1  0  0  0  0
    5647. 

  5647.  12 13  1  0  0  0  0
    5648. 

  5648.  13 35  1  0  0  0  0
    5649. 

  5649.  14 16  2  0  0  0  0
    5650. 

  5650.  14 17  1  0  0  0  0
    5651. 

  5651.  15 16  1  0  0  0  0
    5652. 

  5652.  15 18  2  0  0  0  0
    5653. 

  5653.  15 36  1  0  0  0  0
    5654. 

  5654.  16 37  1  0  0  0  0
    5655. 

  5655.  17 38  1  0  0  0  0
    5656. 

  5656.  17 19  2  0  0  0  0
    5657. 

  5657.  18 19  1  0  0  0  0
    5658. 

  5658.  18 24  1  0  0  0  0
    5659. 

  5659.  19 39  1  0  0  0  0
    5660. 

  5660.  20 25  1  0  0  0  0
    5661. 

  5661.  20 40  1  0  0  0  0
    5662. 

  5662.  20 41  1  0  0  0  0
    5663. 

  5663.  20 23  1  0  0  0  0
    5664. 

  5664.  21 22  1  0  0  0  0
    5665. 

  5665.  21 42  1  0  0  0  0
    5666. 

  5666.  21 25  1  0  0  0  0
    5667. 

  5667.  21 43  1  0  0  0  0
    5668. 

  5668.  22 24  1  0  0  0  0
    5669. 

  5669.  22 44  1  0  0  0  0
    5670. 

  5670.  22 45  1  0  0  0  0
    5671. 

  5671.  23 24  1  0  0  0  0
    5672. 

  5672.  23 46  1  0  0  0  0
    5673. 

  5673.  23 47  1  0  0  0  0
    5674. 

  5674.  25 26  1  0  0  0  0
    5675. 

  5675.  26 49  1  0  0  0  0
    5676. 

  5676.  26 48  1  0  0  0  0
    5677. 

  5677.  26 50  1  0  0  0  0
    5678. 

  5678. M  END
    5679. 

  5679. >  <ID>
    5680. 

  5680. Rob28a
    5681. 

  5681. 

  5682. >  <Cathepsin L nM>
    5683. 

  5683. 10000
    5684. 

  5684. 

  5685. >  <Cathepsin B nM>
    5686. 

  5686. 10000
    5687. 

  5687. 

  5688. > <FP:MACCS>
    5689. 

  5689. 41 62 75 79 82 85 86 92 93 98 100 104 110 111 115 116 117 118 120 121 122 125 128 129 132 133 135 137 138 142 145 147 148 151 153 154 155 156 158 160 161 162 163 164 165
    5690. 

  5690. 

  5691. $$$$
    5692. 

  5692. Rob28c
    5693. 

  5693.   MOE2005           2D
    5694. 

  5694. 

  5695.  59 61  0  0  1  0  0  0  0  0999 V2000
    5696. 

  5696.     0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5697. 

  5697.     1.3020   -0.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5698. 

  5698.     2.5980    0.0110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5699. 

  5699.     1.3090   -2.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5700. 

  5700.     3.9000   -0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5701. 

  5701.     5.1960    0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5702. 

  5702.     6.4920    0.7780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5703. 

  5703.    -1.2960   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5704. 

  5704.    -2.5980   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5705. 

  5705.    -3.8940   -0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5706. 

  5706.    -3.8880   -2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5707. 

  5707.    -2.5850   -3.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5708. 

  5708.    -1.2900   -2.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5709. 

  5709.    -5.1960   -0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5710. 

  5710.    -7.7940   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5711. 

  5711.    -6.4920   -0.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5712. 

  5712.    -5.2020    1.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5713. 

  5713.    -7.8000    1.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5714. 

  5714.    -6.5050    2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5715. 

  5715.   -10.4110    4.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5716. 

  5716.   -11.7010    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5717. 

  5717.   -10.3990    1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5718. 

  5718.    -9.1090    3.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5719. 

  5719.    -9.1030    2.2110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5720. 

  5720.   -11.7070    3.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5721. 

  5721.   -13.0090    4.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5722. 

  5722.    -0.0060    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5723. 

  5723.     1.2900    2.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5724. 

  5724.     1.2830    3.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5725. 

  5725.    -1.0390    0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5726. 

  5726.     2.5930    1.2110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5727. 

  5727.     3.1330   -1.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5728. 

  5728.     4.6760   -1.6490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5729. 

  5729.    -2.6030    1.1890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5730. 

  5730.    -4.9240   -2.8710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5731. 

  5731.    -2.5800   -4.2110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5732. 

  5732.    -0.2480   -2.8510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5733. 

  5733.    -8.8310   -0.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5734. 

  5734.    -6.4870   -1.9780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5735. 

  5735.    -4.1660    2.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5736. 

  5736.    -6.5100    3.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5737. 

  5737.    -9.6440    5.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5738. 

  5738.   -11.1870    5.3720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5739. 

  5739.   -12.1060    1.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5740. 

  5740.   -12.8840    2.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5741. 

  5741.   -11.1660    0.5330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5742. 

  5742.    -9.6230    0.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5743. 

  5743.    -8.7040    4.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5744. 

  5744.    -7.9260    3.5080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5745. 

  5745.   -12.4140    5.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5746. 

  5746.   -14.0510    5.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5747. 

  5747.   -13.6050    3.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5748. 

  5748.    -1.1870    1.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5749. 

  5749.    -0.4220    2.6260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5750. 

  5750.     1.7050    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5751. 

  5751.     2.4700    2.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5752. 

  5752.     2.4830    3.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5753. 

  5753.     1.2780    4.9560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5754. 

  5754.     0.0830    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5755. 

  5755.   1 30  1  0  0  0  0
    5756. 

  5756.   1 27  1  0  0  0  0
    5757. 

  5757.   1  8  1  0  0  0  0
    5758. 

  5758.   1  2  1  0  0  0  0
    5759. 

  5759.   2  3  1  0  0  0  0
    5760. 

  5760.   2  4  2  0  0  0  0
    5761. 

  5761.   3  5  1  0  0  0  0
    5762. 

  5762.   3 31  1  0  0  0  0
    5763. 

  5763.   5 32  1  0  0  0  0
    5764. 

  5764.   5  6  1  0  0  0  0
    5765. 

  5765.   5 33  1  0  0  0  0
    5766. 

  5766.   6  7  3  0  0  0  0
    5767. 

  5767.   8  9  1  0  0  0  0
    5768. 

  5768.   8 13  2  0  0  0  0
    5769. 

  5769.   9 10  2  0  0  0  0
    5770. 

  5770.   9 34  1  0  0  0  0
    5771. 

  5771.  10 11  1  0  0  0  0
    5772. 

  5772.  10 14  1  0  0  0  0
    5773. 

  5773.  11 12  2  0  0  0  0
    5774. 

  5774.  11 35  1  0  0  0  0
    5775. 

  5775.  12 36  1  0  0  0  0
    5776. 

  5776.  12 13  1  0  0  0  0
    5777. 

  5777.  13 37  1  0  0  0  0
    5778. 

  5778.  14 16  2  0  0  0  0
    5779. 

  5779.  14 17  1  0  0  0  0
    5780. 

  5780.  15 16  1  0  0  0  0
    5781. 

  5781.  15 18  2  0  0  0  0
    5782. 

  5782.  15 38  1  0  0  0  0
    5783. 

  5783.  16 39  1  0  0  0  0
    5784. 

  5784.  17 40  1  0  0  0  0
    5785. 

  5785.  17 19  2  0  0  0  0
    5786. 

  5786.  18 19  1  0  0  0  0
    5787. 

  5787.  18 24  1  0  0  0  0
    5788. 

  5788.  19 41  1  0  0  0  0
    5789. 

  5789.  20 25  1  0  0  0  0
    5790. 

  5790.  20 42  1  0  0  0  0
    5791. 

  5791.  20 43  1  0  0  0  0
    5792. 

  5792.  20 23  1  0  0  0  0
    5793. 

  5793.  21 22  1  0  0  0  0
    5794. 

  5794.  21 44  1  0  0  0  0
    5795. 

  5795.  21 25  1  0  0  0  0
    5796. 

  5796.  21 45  1  0  0  0  0
    5797. 

  5797.  22 24  1  0  0  0  0
    5798. 

  5798.  22 46  1  0  0  0  0
    5799. 

  5799.  22 47  1  0  0  0  0
    5800. 

  5800.  23 24  1  0  0  0  0
    5801. 

  5801.  23 48  1  0  0  0  0
    5802. 

  5802.  23 49  1  0  0  0  0
    5803. 

  5803.  25 26  1  0  0  0  0
    5804. 

  5804.  26 51  1  0  0  0  0
    5805. 

  5805.  26 50  1  0  0  0  0
    5806. 

  5806.  26 52  1  0  0  0  0
    5807. 

  5807.  27 53  1  0  0  0  0
    5808. 

  5808.  27 28  1  0  0  0  0
    5809. 

  5809.  27 54  1  0  0  0  0
    5810. 

  5810.  28 55  1  0  0  0  0
    5811. 

  5811.  28 29  1  0  0  0  0
    5812. 

  5812.  28 56  1  0  0  0  0
    5813. 

  5813.  29 58  1  0  0  0  0
    5814. 

  5814.  29 57  1  0  0  0  0
    5815. 

  5815.  29 59  1  0  0  0  0
    5816. 

  5816. M  END
    5817. 

  5817. >  <ID>
    5818. 

  5818. Rob28c
    5819. 

  5819. 

  5820. >  <Cathepsin L nM>
    5821. 

  5821. 10000
    5822. 

  5822. 

  5823. >  <Cathepsin B nM>
    5824. 

  5824. 10000
    5825. 

  5825. 

  5826. > <FP:MACCS>
    5827. 

  5827. 41 62 75 79 82 85 86 90 91 92 93 98 100 110 111 114 115 116 117 118 120 121 122 125 128 129 133 135 137 138 142 145 147 148 149 151 153 154 155 156 158 160 161 162 163 164 165
    5828. 

  5828. 

  5829. $$$$
    5830. 

  5830. Rob_14
    5831. 

  5831.   MOE2005           2D
    5832. 

  5832. 

  5833.  73 75  0  0  1  0  0  0  0  0999 V2000
    5834. 

  5834.     0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5835. 

  5835.     0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5836. 

  5836.    -2.5990   -1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5837. 

  5837.    -1.3000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5838. 

  5838.    -1.3000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5839. 

  5839.    -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5840. 

  5840.    -1.2980    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5841. 

  5841.    -2.5980    0.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5842. 

  5842.    -2.5970    3.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5843. 

  5843.    -2.5970    4.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5844. 

  5844.    -2.5960    6.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5845. 

  5845.     1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5846. 

  5846.     2.5980   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5847. 

  5847.     3.8970    0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5848. 

  5848.     3.8980    2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5849. 

  5849.     2.5990    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5850. 

  5850.     1.3000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5851. 

  5851.     5.1960   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5852. 

  5852.     6.4940   -2.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5853. 

  5853.     5.1960   -1.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5854. 

  5854.     6.4950    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5855. 

  5855.     7.7940   -1.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5856. 

  5856.     7.7940   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5857. 

  5857.    11.6910   -2.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5858. 

  5858.    10.3910   -4.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5859. 

  5859.     9.0920   -3.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5860. 

  5860.    10.3920   -1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5861. 

  5861.     9.0920   -2.2530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5862. 

  5862.    11.6900   -3.7540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5863. 

  5863.    12.9890   -4.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5864. 

  5864.    15.0380   -5.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5865. 

  5865.    14.2880   -3.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5866. 

  5866.    15.5880   -3.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5867. 

  5867.    13.5390   -2.4550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5868. 

  5868.     1.0390   -0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5869. 

  5869.     1.1810   -1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5870. 

  5870.     0.4100   -2.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5871. 

  5871.    -1.9980   -0.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5872. 

  5872.    -3.6380   -0.8990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5873. 

  5873.    -3.1990   -2.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5874. 

  5874.    -2.3390   -2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5875. 

  5875.    -2.5000   -3.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5876. 

  5876.    -1.3010   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5877. 

  5877.    -0.1000   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5878. 

  5878.    -0.2590    2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5879. 

  5879.    -3.0080    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5880. 

  5880.    -3.7790    3.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5881. 

  5881.     2.5980   -1.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5882. 

  5882.     4.9370    2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5883. 

  5883.     2.5990    4.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5884. 

  5884.     0.2610    2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5885. 

  5885.     6.4940   -3.4520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5886. 

  5886.     4.1560   -2.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5887. 

  5887.     6.4960    1.9480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5888. 

  5888.     8.8340    0.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5889. 

  5889.    12.1010   -1.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5890. 

  5890.    12.8720   -2.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5891. 

  5891.     9.6190   -5.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5892. 

  5892.    11.1620   -5.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5893. 

  5893.     8.6810   -4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5894. 

  5894.     7.9100   -3.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5895. 

  5895.    11.1640   -0.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5896. 

  5896.     9.6210   -0.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5897. 

  5897.    12.2170   -5.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5898. 

  5898.    13.3740   -4.9640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5899. 

  5899.    14.5180   -5.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5900. 

  5900.    15.6370   -6.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5901. 

  5901.    15.5580   -4.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5902. 

  5902.    15.8870   -3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5903. 

  5903.    16.6270   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5904. 

  5904.    14.9880   -1.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5905. 

  5905.    14.1390   -1.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5906. 

  5906.    12.3390   -2.4550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5907. 

  5907.   1 35  1  6  0  0  0
    5908. 

  5908.   1 12  1  0  0  0  0
    5909. 

  5909.   1  6  1  0  0  0  0
    5910. 

  5910.   1  2  1  1  0  0  0
    5911. 

  5911.   2 36  1  0  0  0  0
    5912. 

  5912.   2  4  1  0  0  0  0
    5913. 

  5913.   2 37  1  0  0  0  0
    5914. 

  5914.   3  4  1  0  0  0  0
    5915. 

  5915.   3 39  1  0  0  0  0
    5916. 

  5916.   3 38  1  0  0  0  0
    5917. 

  5917.   3 40  1  0  0  0  0
    5918. 

  5918.   4  5  1  0  0  0  0
    5919. 

  5919.   4 41  1  0  0  0  0
    5920. 

  5920.   5 43  1  0  0  0  0
    5921. 

  5921.   5 42  1  0  0  0  0
    5922. 

  5922.   5 44  1  0  0  0  0
    5923. 

  5923.   6  7  1  0  0  0  0
    5924. 

  5924.   6  8  2  0  0  0  0
    5925. 

  5925.   7  9  1  0  0  0  0
    5926. 

  5926.   7 45  1  0  0  0  0
    5927. 

  5927.   9 46  1  0  0  0  0
    5928. 

  5928.   9 10  1  0  0  0  0
    5929. 

  5929.   9 47  1  0  0  0  0
    5930. 

  5930.  10 11  3  0  0  0  0
    5931. 

  5931.  12 13  1  0  0  0  0
    5932. 

  5932.  12 17  2  0  0  0  0
    5933. 

  5933.  13 14  2  0  0  0  0
    5934. 

  5934.  13 48  1  0  0  0  0
    5935. 

  5935.  14 15  1  0  0  0  0
    5936. 

  5936.  14 18  1  0  0  0  0
    5937. 

  5937.  15 16  2  0  0  0  0
    5938. 

  5938.  15 49  1  0  0  0  0
    5939. 

  5939.  16 50  1  0  0  0  0
    5940. 

  5940.  16 17  1  0  0  0  0
    5941. 

  5941.  17 51  1  0  0  0  0
    5942. 

  5942.  18 20  2  0  0  0  0
    5943. 

  5943.  18 21  1  0  0  0  0
    5944. 

  5944.  19 20  1  0  0  0  0
    5945. 

  5945.  19 22  2  0  0  0  0
    5946. 

  5946.  19 52  1  0  0  0  0
    5947. 

  5947.  20 53  1  0  0  0  0
    5948. 

  5948.  21 54  1  0  0  0  0
    5949. 

  5949.  21 23  2  0  0  0  0
    5950. 

  5950.  22 23  1  0  0  0  0
    5951. 

  5951.  22 28  1  0  0  0  0
    5952. 

  5952.  23 55  1  0  0  0  0
    5953. 

  5953.  24 29  1  0  0  0  0
    5954. 

  5954.  24 56  1  0  0  0  0
    5955. 

  5955.  24 57  1  0  0  0  0
    5956. 

  5956.  24 27  1  0  0  0  0
    5957. 

  5957.  25 26  1  0  0  0  0
    5958. 

  5958.  25 58  1  0  0  0  0
    5959. 

  5959.  25 29  1  0  0  0  0
    5960. 

  5960.  25 59  1  0  0  0  0
    5961. 

  5961.  26 28  1  0  0  0  0
    5962. 

  5962.  26 60  1  0  0  0  0
    5963. 

  5963.  26 61  1  0  0  0  0
    5964. 

  5964.  27 28  1  0  0  0  0
    5965. 

  5965.  27 62  1  0  0  0  0
    5966. 

  5966.  27 63  1  0  0  0  0
    5967. 

  5967.  29 30  1  0  0  0  0
    5968. 

  5968.  30 64  1  0  0  0  0
    5969. 

  5969.  30 32  1  0  0  0  0
    5970. 

  5970.  30 65  1  0  0  0  0
    5971. 

  5971.  31 32  1  0  0  0  0
    5972. 

  5972.  31 67  1  0  0  0  0
    5973. 

  5973.  31 66  1  0  0  0  0
    5974. 

  5974.  31 68  1  0  0  0  0
    5975. 

  5975.  32 33  1  0  0  0  0
    5976. 

  5976.  32 34  1  0  0  0  0
    5977. 

  5977.  33 70  1  0  0  0  0
    5978. 

  5978.  33 69  1  0  0  0  0
    5979. 

  5979.  33 71  1  0  0  0  0
    5980. 

  5980.  34 72  1  0  0  0  0
    5981. 

  5981.  34 73  1  0  0  0  0
    5982. 

  5982. M  END
    5983. 

  5983. >  <ID>
    5984. 

  5984. Rob_14
    5985. 

  5985. 

  5986. >  <Cathepsin L nM>
    5987. 

  5987. 10000
    5988. 

  5988. 

  5989. >  <Cathepsin B nM>
    5990. 

  5990. 10000
    5991. 

  5991. 

  5992. > <FP:MACCS>
    5993. 

  5993. 41 62 66 74 75 79 82 84 85 86 90 91 92 98 100 104 108 110 111 112 115 117 118 120 121 122 125 128 129 131 133 135 137 138 141 142 145 147 148 149 151 153 154 155 156 158 160 161 162 163 164 165
    5994. 

  5994. 

  5995. $$$$
    5996. 

  5996. Rob_29
    5997. 

  5997.   MOE2005           2D
    5998. 

  5998. 

  5999.  45 46  0  0  1  0  0  0  0  0999 V2000
    6000. 

  6000.     0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6001. 

  6001.    -0.7610   -1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6002. 

  6002.    -3.0220   -2.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6003. 

  6003.    -2.2610   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6004. 

  6004.    -3.0000    0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6005. 

  6005.    -0.7390    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6006. 

  6006.     0.0220    2.5980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6007. 

  6007.    -2.2390    1.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6008. 

  6008.    -0.7170    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6009. 

  6009.     0.0440    5.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6010. 

  6010.     0.8060    6.4880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6011. 

  6011.     1.5000   -0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6012. 

  6012.     2.2390   -1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6013. 

  6013.     3.7610    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6014. 

  6014.     2.2610    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6015. 

  6015.     3.7390   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6016. 

  6016.     4.5000   -0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6017. 

  6017.     6.0000   -0.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6018. 

  6018.     6.7610    1.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6019. 

  6019.     8.2610    1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6020. 

  6020.     9.0000   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6021. 

  6021.     8.2390   -1.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6022. 

  6022.     6.7390   -1.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6023. 

  6023.     0.6000   -1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6024. 

  6024.     0.3630   -1.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6025. 

  6025.    -0.9800   -2.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6026. 

  6026.    -4.0560   -1.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6027. 

  6027.    -3.6310   -3.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6028. 

  6028.    -1.9880   -3.1810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6029. 

  6029.    -3.4610   -1.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6030. 

  6030.    -1.9560    0.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6031. 

  6031.    -3.5910    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6032. 

  6032.    -4.0440   -0.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6033. 

  6033.     1.2220    2.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6034. 

  6034.    -1.6420    3.1400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6035. 

  6035.    -1.6290    4.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6036. 

  6036.     1.6300   -2.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6037. 

  6037.     4.3700    2.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6038. 

  6038.     1.6700    2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6039. 

  6039.     4.3300   -2.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6040. 

  6040.     6.1700    2.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6041. 

  6041.     8.8700    2.2620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6042. 

  6042.    10.2000   -0.0870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6043. 

  6043.     8.8300   -2.4140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6044. 

  6044.     6.1300   -2.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6045. 

  6045.   1 24  1  0  0  0  0
    6046. 

  6046.   1 12  1  0  0  0  0
    6047. 

  6047.   1  6  1  0  0  0  0
    6048. 

  6048.   1  2  1  0  0  0  0
    6049. 

  6049.   2 25  1  0  0  0  0
    6050. 

  6050.   2  4  1  0  0  0  0
    6051. 

  6051.   2 26  1  0  0  0  0
    6052. 

  6052.   3  4  1  0  0  0  0
    6053. 

  6053.   3 28  1  0  0  0  0
    6054. 

  6054.   3 27  1  0  0  0  0
    6055. 

  6055.   3 29  1  0  0  0  0
    6056. 

  6056.   4  5  1  0  0  0  0
    6057. 

  6057.   4 30  1  0  0  0  0
    6058. 

  6058.   5 32  1  0  0  0  0
    6059. 

  6059.   5 31  1  0  0  0  0
    6060. 

  6060.   5 33  1  0  0  0  0
    6061. 

  6061.   6  7  1  0  0  0  0
    6062. 

  6062.   6  8  2  0  0  0  0
    6063. 

  6063.   7  9  1  0  0  0  0
    6064. 

  6064.   7 34  1  0  0  0  0
    6065. 

  6065.   9 35  1  0  0  0  0
    6066. 

  6066.   9 10  1  0  0  0  0
    6067. 

  6067.   9 36  1  0  0  0  0
    6068. 

  6068.  10 11  3  0  0  0  0
    6069. 

  6069.  12 13  1  0  0  0  0
    6070. 

  6070.  12 15  2  0  0  0  0
    6071. 

  6071.  13 16  2  0  0  0  0
    6072. 

  6072.  13 37  1  0  0  0  0
    6073. 

  6073.  14 17  2  0  0  0  0
    6074. 

  6074.  14 38  1  0  0  0  0
    6075. 

  6075.  14 15  1  0  0  0  0
    6076. 

  6076.  15 39  1  0  0  0  0
    6077. 

  6077.  16 17  1  0  0  0  0
    6078. 

  6078.  16 40  1  0  0  0  0
    6079. 

  6079.  17 18  1  0  0  0  0
    6080. 

  6080.  18 19  1  0  0  0  0
    6081. 

  6081.  18 23  2  0  0  0  0
    6082. 

  6082.  19 20  2  0  0  0  0
    6083. 

  6083.  19 41  1  0  0  0  0
    6084. 

  6084.  20 21  1  0  0  0  0
    6085. 

  6085.  20 42  1  0  0  0  0
    6086. 

  6086.  21 22  2  0  0  0  0
    6087. 

  6087.  21 43  1  0  0  0  0
    6088. 

  6088.  22 44  1  0  0  0  0
    6089. 

  6089.  22 23  1  0  0  0  0
    6090. 

  6090.  23 45  1  0  0  0  0
    6091. 

  6091. M  END
    6092. 

  6092. >  <ID>
    6093. 

  6093. Rob_29
    6094. 

  6094. 

  6095. >  <Cathepsin L nM>
    6096. 

  6096. 10000
    6097. 

  6097. 

  6098. >  <Cathepsin B nM>
    6099. 

  6099. 10000
    6100. 

  6100. 

  6101. > <FP:MACCS>
    6102. 

  6102. 41 62 74 79 82 90 92 100 110 111 115 117 125 128 142 145 149 151 153 154 155 156 158 160 161 162 163 164 165
    6103. 

  6103. 

  6104. $$$$
    6105. 

  6105. Rob_30
    6106. 

  6106.   MOE2005           2D
    6107. 

  6107. 

  6108.  49 50  0  0  1  0  0  0  0  0999 V2000
    6109. 

  6109.     0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6110. 

  6110.     0.0020   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6111. 

  6111.    -1.2940   -3.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6112. 

  6112.    -1.2960   -2.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6113. 

  6113.    -2.5960   -1.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6114. 

  6114.    -1.3000    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6115. 

  6115.    -1.3020    2.2480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6116. 

  6116.    -2.5980   -0.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6117. 

  6117.    -2.6020    2.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6118. 

  6118.    -2.6050    4.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6119. 

  6119.    -2.6070    5.9960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6120. 

  6120.     1.2980    0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6121. 

  6121.     2.5980    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6122. 

  6122.     3.8960    0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6123. 

  6123.     3.8940    2.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6124. 

  6124.     2.5940    3.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6125. 

  6125.     1.2960    2.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6126. 

  6126.     5.1960    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6127. 

  6127.     7.7940    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6128. 

  6128.     7.7960   -1.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6129. 

  6129.     6.4980   -2.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6130. 

  6130.     5.1980   -1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6131. 

  6131.     6.4940    0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6132. 

  6132.     9.0970   -2.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6133. 

  6133.     9.0990   -3.7360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6134. 

  6134.    10.3940   -1.4840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6135. 

  6135.     1.0390   -0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6136. 

  6136.     1.1840   -1.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6137. 

  6137.     0.4140   -2.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6138. 

  6138.    -2.4940   -3.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6139. 

  6139.    -1.2920   -4.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6140. 

  6140.    -0.0940   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6141. 

  6141.    -2.3350   -2.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6142. 

  6142.    -1.9970   -0.4640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6143. 

  6143.    -3.6360   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6144. 

  6144.    -3.1940   -2.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6145. 

  6145.    -0.2640    2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6146. 

  6146.    -3.0110    1.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6147. 

  6147.    -3.7850    3.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6148. 

  6148.     2.6000   -1.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6149. 

  6149.     4.9320    2.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6150. 

  6150.     2.5920    4.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6151. 

  6151.     0.2560    2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6152. 

  6152.     8.8330    0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6153. 

  6153.     6.5000   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6154. 

  6154.     4.1600   -2.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6155. 

  6155.     6.4920    1.9600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6156. 

  6156.    11.4350   -2.0830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6157. 

  6157.    10.3930   -0.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6158. 

  6158.   1 27  1  0  0  0  0
    6159. 

  6159.   1 12  1  0  0  0  0
    6160. 

  6160.   1  6  1  0  0  0  0
    6161. 

  6161.   1  2  1  0  0  0  0
    6162. 

  6162.   2 28  1  0  0  0  0
    6163. 

  6163.   2  4  1  0  0  0  0
    6164. 

  6164.   2 29  1  0  0  0  0
    6165. 

  6165.   3  4  1  0  0  0  0
    6166. 

  6166.   3 31  1  0  0  0  0
    6167. 

  6167.   3 30  1  0  0  0  0
    6168. 

  6168.   3 32  1  0  0  0  0
    6169. 

  6169.   4  5  1  0  0  0  0
    6170. 

  6170.   4 33  1  0  0  0  0
    6171. 

  6171.   5 35  1  0  0  0  0
    6172. 

  6172.   5 34  1  0  0  0  0
    6173. 

  6173.   5 36  1  0  0  0  0
    6174. 

  6174.   6  7  1  0  0  0  0
    6175. 

  6175.   6  8  2  0  0  0  0
    6176. 

  6176.   7  9  1  0  0  0  0
    6177. 

  6177.   7 37  1  0  0  0  0
    6178. 

  6178.   9 38  1  0  0  0  0
    6179. 

  6179.   9 10  1  0  0  0  0
    6180. 

  6180.   9 39  1  0  0  0  0
    6181. 

  6181.  10 11  3  0  0  0  0
    6182. 

  6182.  12 13  1  0  0  0  0
    6183. 

  6183.  12 17  2  0  0  0  0
    6184. 

  6184.  13 14  2  0  0  0  0
    6185. 

  6185.  13 40  1  0  0  0  0
    6186. 

  6186.  14 15  1  0  0  0  0
    6187. 

  6187.  14 18  1  0  0  0  0
    6188. 

  6188.  15 16  2  0  0  0  0
    6189. 

  6189.  15 41  1  0  0  0  0
    6190. 

  6190.  16 42  1  0  0  0  0
    6191. 

  6191.  16 17  1  0  0  0  0
    6192. 

  6192.  17 43  1  0  0  0  0
    6193. 

  6193.  18 22  2  0  0  0  0
    6194. 

  6194.  18 23  1  0  0  0  0
    6195. 

  6195.  19 20  1  0  0  0  0
    6196. 

  6196.  19 44  1  0  0  0  0
    6197. 

  6197.  19 23  2  0  0  0  0
    6198. 

  6198.  20 21  2  0  0  0  0
    6199. 

  6199.  20 24  1  0  0  0  0
    6200. 

  6200.  21 22  1  0  0  0  0
    6201. 

  6201.  21 45  1  0  0  0  0
    6202. 

  6202.  22 46  1  0  0  0  0
    6203. 

  6203.  23 47  1  0  0  0  0
    6204. 

  6204.  24 25  2  0  0  0  0
    6205. 

  6205.  24 26  1  0  0  0  0
    6206. 

  6206.  26 48  1  0  0  0  0
    6207. 

  6207.  26 49  1  0  0  0  0
    6208. 

  6208. M  END
    6209. 

  6209. >  <ID>
    6210. 

  6210. Rob_30
    6211. 

  6211. 

  6212. >  <Cathepsin L nM>
    6213. 

  6213. 10000
    6214. 

  6214. 

  6215. >  <Cathepsin B nM>
    6216. 

  6216. 10000
    6217. 

  6217. 

  6218. > <FP:MACCS>
    6219. 

  6219. 41 62 74 79 82 84 90 92 100 110 111 115 117 125 128 131 136 142 145 149 151 153 154 155 156 158 159 160 161 162 163 164 165
    6220. 

  6220. 

  6221. $$$$
    6222. 

  6222. Rob_31
    6223. 

  6223.   MOE2005           2D
    6224. 

  6224. 

  6225.  51 52  0  0  1  0  0  0  0  0999 V2000
    6226. 

  6226.     0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6227. 

  6227.     0.0080   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6228. 

  6228.    -1.2780   -3.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6229. 

  6229.    -1.2870   -2.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6230. 

  6230.    -2.5900   -1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6231. 

  6231.    -1.3030    0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6232. 

  6232.    -1.3110    2.2430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6233. 

  6233.    -2.5980   -0.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6234. 

  6234.    -2.6140    2.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6235. 

  6235.    -2.6230    4.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6236. 

  6236.    -2.6310    5.9860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6237. 

  6237.     1.2950    0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6238. 

  6238.     2.5980    0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6239. 

  6239.     3.8930    0.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6240. 

  6240.     3.8850    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6241. 

  6241.     2.5820    3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6242. 

  6242.     1.2870    2.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6243. 

  6243.     5.1960    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6244. 

  6244.     7.7940    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6245. 

  6245.     7.8020   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6246. 

  6246.     6.5070   -2.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6247. 

  6247.     5.2040   -1.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6248. 

  6248.     6.4910    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6249. 

  6249.    10.4080   -2.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6250. 

  6250.     9.1050   -2.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6251. 

  6251.     9.8480   -0.8970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6252. 

  6252.     8.3620   -3.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6253. 

  6253.     1.0390   -0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6254. 

  6254.     1.1890   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6255. 

  6255.     0.4250   -2.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6256. 

  6256.    -2.4780   -3.7640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6257. 

  6257.    -1.2720   -4.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6258. 

  6258.    -0.0790   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6259. 

  6259.    -2.3260   -2.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6260. 

  6260.    -1.9960   -0.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6261. 

  6261.    -3.6320   -0.9200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6262. 

  6262.    -3.1840   -2.5570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6263. 

  6263.    -0.2750    2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6264. 

  6264.    -3.0190    1.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6265. 

  6265.    -3.7970    3.1880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6266. 

  6266.     2.6050   -1.1860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6267. 

  6267.     4.9210    2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6268. 

  6268.     2.5750    4.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6269. 

  6269.     0.2440    2.8510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6270. 

  6270.     8.8300    0.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6271. 

  6271.     6.5140   -3.4140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6272. 

  6272.     4.1680   -2.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6273. 

  6273.     6.4840    1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6274. 

  6274.     9.8140   -3.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6275. 

  6275.    11.4510   -3.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6276. 

  6276.    11.0030   -1.9010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6277. 

  6277.   1 28  1  0  0  0  0
    6278. 

  6278.   1 12  1  0  0  0  0
    6279. 

  6279.   1  6  1  0  0  0  0
    6280. 

  6280.   1  2  1  0  0  0  0
    6281. 

  6281.   2 29  1  0  0  0  0
    6282. 

  6282.   2  4  1  0  0  0  0
    6283. 

  6283.   2 30  1  0  0  0  0
    6284. 

  6284.   3  4  1  0  0  0  0
    6285. 

  6285.   3 32  1  0  0  0  0
    6286. 

  6286.   3 31  1  0  0  0  0
    6287. 

  6287.   3 33  1  0  0  0  0
    6288. 

  6288.   4  5  1  0  0  0  0
    6289. 

  6289.   4 34  1  0  0  0  0
    6290. 

  6290.   5 36  1  0  0  0  0
    6291. 

  6291.   5 35  1  0  0  0  0
    6292. 

  6292.   5 37  1  0  0  0  0
    6293. 

  6293.   6  7  1  0  0  0  0
    6294. 

  6294.   6  8  2  0  0  0  0
    6295. 

  6295.   7  9  1  0  0  0  0
    6296. 

  6296.   7 38  1  0  0  0  0
    6297. 

  6297.   9 39  1  0  0  0  0
    6298. 

  6298.   9 10  1  0  0  0  0
    6299. 

  6299.   9 40  1  0  0  0  0
    6300. 

  6300.  10 11  3  0  0  0  0
    6301. 

  6301.  12 13  1  0  0  0  0
    6302. 

  6302.  12 17  2  0  0  0  0
    6303. 

  6303.  13 14  2  0  0  0  0
    6304. 

  6304.  13 41  1  0  0  0  0
    6305. 

  6305.  14 15  1  0  0  0  0
    6306. 

  6306.  14 18  1  0  0  0  0
    6307. 

  6307.  15 16  2  0  0  0  0
    6308. 

  6308.  15 42  1  0  0  0  0
    6309. 

  6309.  16 43  1  0  0  0  0
    6310. 

  6310.  16 17  1  0  0  0  0
    6311. 

  6311.  17 44  1  0  0  0  0
    6312. 

  6312.  18 22  2  0  0  0  0
    6313. 

  6313.  18 23  1  0  0  0  0
    6314. 

  6314.  19 20  1  0  0  0  0
    6315. 

  6315.  19 45  1  0  0  0  0
    6316. 

  6316.  19 23  2  0  0  0  0
    6317. 

  6317.  20 21  2  0  0  0  0
    6318. 

  6318.  20 25  1  0  0  0  0
    6319. 

  6319.  21 22  1  0  0  0  0
    6320. 

  6320.  21 46  1  0  0  0  0
    6321. 

  6321.  22 47  1  0  0  0  0
    6322. 

  6322.  23 48  1  0  0  0  0
    6323. 

  6323.  24 25  1  0  0  0  0
    6324. 

  6324.  24 50  1  0  0  0  0
    6325. 

  6325.  24 49  1  0  0  0  0
    6326. 

  6326.  24 51  1  0  0  0  0
    6327. 

  6327.  25 26  2  0  0  0  0
    6328. 

  6328.  25 27  2  0  0  0  0
    6329. 

  6329. M  END
    6330. 

  6330. >  <ID>
    6331. 

  6331. Rob_31
    6332. 

  6332. 

  6333. >  <Cathepsin L nM>
    6334. 

  6334. 10000
    6335. 

  6335. 

  6336. >  <Cathepsin B nM>
    6337. 

  6337. 10000
    6338. 

  6338. 

  6339. > <FP:MACCS>
    6340. 

  6340. 41 51 55 58 59 60 61 62 64 67 73 74 79 81 82 88 90 92 93 100 102 110 111 112 115 117 124 125 128 130 136 141 142 145 146 148 149 151 153 154 155 156 158 159 160 161 162 163 164 165
    6341. 

  6341. 

  6342. $$$$
    6343. 

  6343. Rob_50
    6344. 

  6344.   MOE2005           2D
    6345. 

  6345. 

  6346.  74 76  0  0  1  0  0  0  0  0999 V2000
    6347. 

  6347.     0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6348. 

  6348.    -0.0100    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6349. 

  6349.    -1.3240    3.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6350. 

  6350.    -1.3140    2.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6351. 

  6351.    -2.6080    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6352. 

  6352.    -1.2940   -0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6353. 

  6353.    -1.2840   -2.2590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6354. 

  6354.    -2.5980   -0.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6355. 

  6355.    -2.5780   -3.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6356. 

  6356.    -2.5680   -4.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6357. 

  6357.    -2.5580   -6.0170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6358. 

  6358.     1.3040   -0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6359. 

  6359.     2.5980    0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6360. 

  6360.     3.9020   -0.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6361. 

  6361.     3.9120   -2.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6362. 

  6362.     2.6180   -2.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6363. 

  6363.     1.3140   -2.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6364. 

  6364.     5.1960    0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6365. 

  6365.     6.4800    2.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6366. 

  6366.     5.1860    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6367. 

  6367.     6.5000   -0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6368. 

  6368.     7.7840    1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6369. 

  6369.     7.7940    0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6370. 

  6370.    11.6760    2.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6371. 

  6371.    10.3620    4.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6372. 

  6372.     9.0680    3.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6373. 

  6373.    10.3820    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6374. 

  6374.     9.0780    2.3110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6375. 

  6375.    11.6660    3.8290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6376. 

  6376.    12.9600    4.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6377. 

  6377.    12.9500    6.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6378. 

  6378.    14.2640    3.8460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6379. 

  6379.    15.5580    4.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6380. 

  6380.    16.8520    5.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6381. 

  6381.    14.7990    5.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6382. 

  6382.    16.3170    3.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6383. 

  6383.     1.0390    0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6384. 

  6384.     1.1730    1.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6385. 

  6385.     0.3930    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6386. 

  6386.    -0.1240    3.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6387. 

  6387.    -1.3320    4.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6388. 

  6388.    -2.5240    3.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6389. 

  6389.    -2.3530    2.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6390. 

  6390.    -3.2150    2.5180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6391. 

  6391.    -3.6430    0.8760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6392. 

  6392.    -2.0010    0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6393. 

  6393.    -0.2410   -2.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6394. 

  6394.    -2.9960   -1.8930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6395. 

  6395.    -3.7580   -3.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6396. 

  6396.     2.5900    1.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6397. 

  6397.     4.9550   -2.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6398. 

  6398.     2.6260   -4.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6399. 

  6399.     0.2790   -2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6400. 

  6400.     6.4720    3.4940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6401. 

  6401.     4.1430    2.1280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6402. 

  6402.     6.5080   -1.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6403. 

  6403.     8.8370   -0.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6404. 

  6404.    12.0940    1.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6405. 

  6405.    12.8560    2.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6406. 

  6406.     9.5840    5.4840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6407. 

  6407.    11.1270    5.4940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6408. 

  6408.     8.6500    4.9360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6409. 

  6409.     7.8880    3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6410. 

  6410.    11.1600    0.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6411. 

  6411.     9.6170    0.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6412. 

  6412.    17.1550    4.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6413. 

  6413.    17.8870    5.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6414. 

  6414.    16.5480    5.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6415. 

  6415.    15.3170    6.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6416. 

  6416.    14.1920    6.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6417. 

  6417.    13.7640    5.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6418. 

  6418.    15.2810    2.7040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6419. 

  6419.    16.9240    2.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6420. 

  6420.    16.8340    3.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6421. 

  6421.   1 37  1  1  0  0  0
    6422. 

  6422.   1 12  1  0  0  0  0
    6423. 

  6423.   1  6  1  0  0  0  0
    6424. 

  6424.   1  2  1  6  0  0  0
    6425. 

  6425.   2 38  1  0  0  0  0
    6426. 

  6426.   2  4  1  0  0  0  0
    6427. 

  6427.   2 39  1  0  0  0  0
    6428. 

  6428.   3  4  1  0  0  0  0
    6429. 

  6429.   3 41  1  0  0  0  0
    6430. 

  6430.   3 40  1  0  0  0  0
    6431. 

  6431.   3 42  1  0  0  0  0
    6432. 

  6432.   4  5  1  0  0  0  0
    6433. 

  6433.   4 43  1  0  0  0  0
    6434. 

  6434.   5 45  1  0  0  0  0
    6435. 

  6435.   5 44  1  0  0  0  0
    6436. 

  6436.   5 46  1  0  0  0  0
    6437. 

  6437.   6  7  1  0  0  0  0
    6438. 

  6438.   6  8  2  0  0  0  0
    6439. 

  6439.   7  9  1  0  0  0  0
    6440. 

  6440.   7 47  1  0  0  0  0
    6441. 

  6441.   9 48  1  0  0  0  0
    6442. 

  6442.   9 10  1  0  0  0  0
    6443. 

  6443.   9 49  1  0  0  0  0
    6444. 

  6444.  10 11  3  0  0  0  0
    6445. 

  6445.  12 13  1  0  0  0  0
    6446. 

  6446.  12 17  2  0  0  0  0
    6447. 

  6447.  13 14  2  0  0  0  0
    6448. 

  6448.  13 50  1  0  0  0  0
    6449. 

  6449.  14 15  1  0  0  0  0
    6450. 

  6450.  14 18  1  0  0  0  0
    6451. 

  6451.  15 16  2  0  0  0  0
    6452. 

  6452.  15 51  1  0  0  0  0
    6453. 

  6453.  16 52  1  0  0  0  0
    6454. 

  6454.  16 17  1  0  0  0  0
    6455. 

  6455.  17 53  1  0  0  0  0
    6456. 

  6456.  18 20  2  0  0  0  0
    6457. 

  6457.  18 21  1  0  0  0  0
    6458. 

  6458.  19 20  1  0  0  0  0
    6459. 

  6459.  19 22  2  0  0  0  0
    6460. 

  6460.  19 54  1  0  0  0  0
    6461. 

  6461.  20 55  1  0  0  0  0
    6462. 

  6462.  21 56  1  0  0  0  0
    6463. 

  6463.  21 23  2  0  0  0  0
    6464. 

  6464.  22 23  1  0  0  0  0
    6465. 

  6465.  22 28  1  0  0  0  0
    6466. 

  6466.  23 57  1  0  0  0  0
    6467. 

  6467.  24 29  1  0  0  0  0
    6468. 

  6468.  24 58  1  0  0  0  0
    6469. 

  6469.  24 59  1  0  0  0  0
    6470. 

  6470.  24 27  1  0  0  0  0
    6471. 

  6471.  25 26  1  0  0  0  0
    6472. 

  6472.  25 60  1  0  0  0  0
    6473. 

  6473.  25 29  1  0  0  0  0
    6474. 

  6474.  25 61  1  0  0  0  0
    6475. 

  6475.  26 28  1  0  0  0  0
    6476. 

  6476.  26 62  1  0  0  0  0
    6477. 

  6477.  26 63  1  0  0  0  0
    6478. 

  6478.  27 28  1  0  0  0  0
    6479. 

  6479.  27 64  1  0  0  0  0
    6480. 

  6480.  27 65  1  0  0  0  0
    6481. 

  6481.  29 30  1  0  0  0  0
    6482. 

  6482.  30 31  2  0  0  0  0
    6483. 

  6483.  30 32  1  0  0  0  0
    6484. 

  6484.  32 33  1  0  0  0  0
    6485. 

  6485.  33 35  1  0  0  0  0
    6486. 

  6486.  33 34  1  0  0  0  0
    6487. 

  6487.  33 36  1  0  0  0  0
    6488. 

  6488.  34 67  1  0  0  0  0
    6489. 

  6489.  34 66  1  0  0  0  0
    6490. 

  6490.  34 68  1  0  0  0  0
    6491. 

  6491.  35 70  1  0  0  0  0
    6492. 

  6492.  35 69  1  0  0  0  0
    6493. 

  6493.  35 71  1  0  0  0  0
    6494. 

  6494.  36 73  1  0  0  0  0
    6495. 

  6495.  36 72  1  0  0  0  0
    6496. 

  6496.  36 74  1  0  0  0  0
    6497. 

  6497. M  END
    6498. 

  6498. >  <ID>
    6499. 

  6499. Rob_50
    6500. 

  6500. 

  6501. >  <Cathepsin L nM>
    6502. 

  6502. 10000
    6503. 

  6503. 

  6504. >  <Cathepsin B nM>
    6505. 

  6505. 10000
    6506. 

  6506. 

  6507. > <FP:MACCS>
    6508. 

  6508. 23 41 62 66 74 75 79 82 85 86 90 92 98 100 106 110 111 112 115 117 118 120 121 122 123 125 126 128 129 133 135 136 137 138 141 142 145 146 147 148 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    6509. 

  6509. 

  6510. $$$$
    6511. 

  6511. Oue13b
    6512. 

  6512.   MOE2005           2D
    6513. 

  6513. 

  6514.  46 47  0  0  1  0  0  0  0  0999 V2000
    6515. 

  6515.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6516. 

  6516.    -1.5000   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6517. 

  6517.    -3.0000   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6518. 

  6518.    -2.7920    1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6519. 

  6519.    -4.1280    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6520. 

  6520.    -3.7490   -1.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6521. 

  6521.    -3.1490   -2.3400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6522. 

  6522.    -5.2490   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6523. 

  6523.    -5.9980   -2.6020    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6524. 

  6524.    -4.7980   -2.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6525. 

  6525.    -6.0000   -0.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6526. 

  6526.    -7.4980   -2.6020    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6527. 

  6527.    -8.2490   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6528. 

  6528.    -7.1220   -0.8930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6529. 

  6529.    -8.4580   -0.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6530. 

  6530.    -6.8980   -1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6531. 

  6531.    -8.2480   -3.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6532. 

  6532.    -9.1670   -3.1310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6533. 

  6533.    -9.1660   -4.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6534. 

  6534.    -7.4970   -5.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6535. 

  6535.    -8.6240   -5.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6536. 

  6536.    -7.2880   -6.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6537. 

  6537.    -5.9970   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6538. 

  6538.    -6.2050   -6.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6539. 

  6539.    -4.8690   -5.6100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6540. 

  6540.    -5.2480   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6541. 

  6541.    -4.3290   -3.1280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6542. 

  6542.    -4.3280   -4.6710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6543. 

  6543.   -11.2490   -1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6544. 

  6544.   -11.9980   -2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6545. 

  6545.   -11.3980   -3.6440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6546. 

  6546.   -13.4980   -2.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6547. 

  6547.   -14.0980   -3.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6548. 

  6548.   -14.2490   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6549. 

  6549.   -15.4490   -1.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6550. 

  6550.   -13.5000   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6551. 

  6551.   -14.2510    1.2910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6552. 

  6552.   -15.7510    1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6553. 

  6553.   -15.7520    2.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6554. 

  6554.   -16.9510    1.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6555. 

  6555.   -15.7500    0.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6556. 

  6556.   -12.0000   -0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6557. 

  6557.   -11.4010    1.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6558. 

  6558.    -9.7490   -1.3050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6559. 

  6559.    -9.7480   -2.8050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6560. 

  6560.    -9.7500    0.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6561. 

  6561.   1  2  3  0  0  0  0
    6562. 

  6562.   2  3  1  0  0  0  0
    6563. 

  6563.   3  5  1  0  0  0  0
    6564. 

  6564.   3  4  1  0  0  0  0
    6565. 

  6565.   3  6  1  0  0  0  0
    6566. 

  6566.   6  7  1  0  0  0  0
    6567. 

  6567.   6  8  1  0  0  0  0
    6568. 

  6568.   8  9  1  0  0  0  0
    6569. 

  6569.   8 11  2  0  0  0  0
    6570. 

  6570.   9 12  1  0  0  0  0
    6571. 

  6571.   9 10  1  0  0  0  0
    6572. 

  6572.   9 26  1  0  0  0  0
    6573. 

  6573.  12 16  1  0  0  0  0
    6574. 

  6574.  12 13  1  0  0  0  0
    6575. 

  6575.  12 17  1  0  0  0  0
    6576. 

  6576.  13 15  1  0  0  0  0
    6577. 

  6577.  13 14  1  0  0  0  0
    6578. 

  6578.  13 44  1  0  0  0  0
    6579. 

  6579.  17 19  1  0  0  0  0
    6580. 

  6580.  17 18  1  0  0  0  0
    6581. 

  6581.  17 20  1  0  0  0  0
    6582. 

  6582.  20 22  1  0  0  0  0
    6583. 

  6583.  20 21  1  0  0  0  0
    6584. 

  6584.  20 23  1  0  0  0  0
    6585. 

  6585.  23 25  1  0  0  0  0
    6586. 

  6586.  23 24  1  0  0  0  0
    6587. 

  6587.  23 26  1  0  0  0  0
    6588. 

  6588.  26 27  1  0  0  0  0
    6589. 

  6589.  26 28  1  0  0  0  0
    6590. 

  6590.  29 44  1  0  0  0  0
    6591. 

  6591.  29 42  2  0  0  0  0
    6592. 

  6592.  29 30  1  0  0  0  0
    6593. 

  6593.  30 31  1  0  0  0  0
    6594. 

  6594.  30 32  2  0  0  0  0
    6595. 

  6595.  32 34  1  0  0  0  0
    6596. 

  6596.  32 33  1  0  0  0  0
    6597. 

  6597.  34 36  2  0  0  0  0
    6598. 

  6598.  34 35  1  0  0  0  0
    6599. 

  6599.  36 42  1  0  0  0  0
    6600. 

  6600.  36 37  1  0  0  0  0
    6601. 

  6601.  37 38  1  0  0  0  0
    6602. 

  6602.  38 40  1  0  0  0  0
    6603. 

  6603.  38 39  1  0  0  0  0
    6604. 

  6604.  38 41  1  0  0  0  0
    6605. 

  6605.  42 43  1  0  0  0  0
    6606. 

  6606.  44 45  2  0  0  0  0
    6607. 

  6607.  44 46  2  0  0  0  0
    6608. 

  6608. M  END
    6609. 

  6609. >  <ID>
    6610. 

  6610. Oue13b
    6611. 

  6611. 

  6612. >  <Cathepsin L nM>
    6613. 

  6613. 3700
    6614. 

  6614. 

  6615. >  <Cathepsin B nM>
    6616. 

  6616. 10000
    6617. 

  6617. 

  6618. > <FP:MACCS>
    6619. 

  6619. 41 51 55 58 59 60 61 64 67 73 79 81 82 88 90 91 92 93 100 102 110 111 112 117 118 124 128 129 130 132 136 138 142 145 146 147 148 150 151 153 154 155 156 158 159 160 161 162 163 164 165
    6620. 

  6620. 

  6621. $$$$
    6622. 

  6622. Bla_17
    6623. 

  6623.   MOE2005           2D
    6624. 

  6624. 

  6625.  53 54  0  0  1  0  0  0  0  0999 V2000
    6626. 

  6626.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6627. 

  6627.    -0.7600   -1.2930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6628. 

  6628.    -0.7400    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6629. 

  6629.    -1.4800    2.6090    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6630. 

  6630.    -2.0450    0.5640    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6631. 

  6631.     0.5640    2.0450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6632. 

  6632.    -2.2600   -1.2820    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6633. 

  6633.    -3.0190   -2.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6634. 

  6634.    -4.5190   -2.5640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6635. 

  6635.    -2.2790   -3.8800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6636. 

  6636.    -3.0390   -5.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6637. 

  6637.    -2.2990   -6.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6638. 

  6638.    -1.5580   -7.7830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6639. 

  6639.    -3.0000    0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6640. 

  6640.    -4.5000    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6641. 

  6641.    -5.2400    1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6642. 

  6642.    -5.2600   -1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6643. 

  6643.     1.5000   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6644. 

  6644.     2.2400   -1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6645. 

  6645.     3.7400   -1.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6646. 

  6646.     4.5000   -0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6647. 

  6647.     3.7600    1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6648. 

  6648.     2.2600    1.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6649. 

  6649.     6.0000   -0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6650. 

  6650.     6.7600    1.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6651. 

  6651.     8.2600    1.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6652. 

  6652.     9.0000   -0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6653. 

  6653.     8.2400   -1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6654. 

  6654.     6.7400   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6655. 

  6655.     9.0190    2.5300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6656. 

  6656.     8.9800   -2.6660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6657. 

  6657.     0.6000   -1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6658. 

  6658.    -0.1680   -2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6659. 

  6659.    -1.6600   -2.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6660. 

  6660.    -1.0790   -3.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6661. 

  6661.    -3.9520   -4.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6662. 

  6662.    -3.9640   -5.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6663. 

  6663.    -2.4350    0.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6664. 

  6664.    -3.1990    1.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6665. 

  6665.    -5.7000    0.0340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6666. 

  6666.    -4.1960    1.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6667. 

  6667.    -5.8320    2.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6668. 

  6668.    -6.2840    0.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6669. 

  6669.    -6.2940   -0.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6670. 

  6670.    -5.8670   -2.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6671. 

  6671.    -4.2250   -1.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6672. 

  6672.     1.6320   -2.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6673. 

  6673.     4.3320   -2.3710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6674. 

  6674.     4.3670    2.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6675. 

  6675.     1.6680    2.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6676. 

  6676.     6.1670    2.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6677. 

  6677.    10.2000   -0.0760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6678. 

  6678.     6.1320   -2.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6679. 

  6679.   1 32  1  1  0  0  0
    6680. 

  6680.   1 18  1  0  0  0  0
    6681. 

  6681.   1  3  1  0  0  0  0
    6682. 

  6682.   1  2  1  6  0  0  0
    6683. 

  6683.   2  7  1  0  0  0  0
    6684. 

  6684.   2 33  1  0  0  0  0
    6685. 

  6685.   3  5  1  0  0  0  0
    6686. 

  6686.   3  4  1  0  0  0  0
    6687. 

  6687.   3  6  1  0  0  0  0
    6688. 

  6688.   7 14  1  6  0  0  0
    6689. 

  6689.   7  8  1  0  0  0  0
    6690. 

  6690.   7 34  1  1  0  0  0
    6691. 

  6691.   8  9  2  0  0  0  0
    6692. 

  6692.   8 10  1  0  0  0  0
    6693. 

  6693.  10 11  1  0  0  0  0
    6694. 

  6694.  10 35  1  0  0  0  0
    6695. 

  6695.  11 36  1  0  0  0  0
    6696. 

  6696.  11 12  1  0  0  0  0
    6697. 

  6697.  11 37  1  0  0  0  0
    6698. 

  6698.  12 13  3  0  0  0  0
    6699. 

  6699.  14 38  1  0  0  0  0
    6700. 

  6700.  14 15  1  0  0  0  0
    6701. 

  6701.  14 39  1  0  0  0  0
    6702. 

  6702.  15 17  1  0  0  0  0
    6703. 

  6703.  15 16  1  0  0  0  0
    6704. 

  6704.  15 40  1  0  0  0  0
    6705. 

  6705.  16 42  1  0  0  0  0
    6706. 

  6706.  16 41  1  0  0  0  0
    6707. 

  6707.  16 43  1  0  0  0  0
    6708. 

  6708.  17 45  1  0  0  0  0
    6709. 

  6709.  17 44  1  0  0  0  0
    6710. 

  6710.  17 46  1  0  0  0  0
    6711. 

  6711.  18 19  1  0  0  0  0
    6712. 

  6712.  18 23  2  0  0  0  0
    6713. 

  6713.  19 20  2  0  0  0  0
    6714. 

  6714.  19 47  1  0  0  0  0
    6715. 

  6715.  20 21  1  0  0  0  0
    6716. 

  6716.  20 48  1  0  0  0  0
    6717. 

  6717.  21 22  2  0  0  0  0
    6718. 

  6718.  21 24  1  0  0  0  0
    6719. 

  6719.  22 49  1  0  0  0  0
    6720. 

  6720.  22 23  1  0  0  0  0
    6721. 

  6721.  23 50  1  0  0  0  0
    6722. 

  6722.  24 25  1  0  0  0  0
    6723. 

  6723.  24 29  2  0  0  0  0
    6724. 

  6724.  25 26  2  0  0  0  0
    6725. 

  6725.  25 51  1  0  0  0  0
    6726. 

  6726.  26 27  1  0  0  0  0
    6727. 

  6727.  26 30  1  0  0  0  0
    6728. 

  6728.  27 28  2  0  0  0  0
    6729. 

  6729.  27 52  1  0  0  0  0
    6730. 

  6730.  28 31  1  0  0  0  0
    6731. 

  6731.  28 29  1  0  0  0  0
    6732. 

  6732.  29 53  1  0  0  0  0
    6733. 

  6733. M  END
    6734. 

  6734. >  <ID>
    6735. 

  6735. Bla_17
    6736. 

  6736. 

  6737. >  <Cathepsin L nM>
    6738. 

  6738. 3002
    6739. 

  6739. 

  6740. >  <Cathepsin B nM>
    6741. 

  6741. 10000
    6742. 

  6742. 

  6743. > <FP:MACCS>
    6744. 

  6744. 41 42 54 62 74 79 82 87 90 91 92 95 100 104 106 107 110 111 112 115 117 125 128 131 134 142 145 149 151 153 154 155 156 158 160 161 162 163 164 165
    6745. 

  6745. 

  6746. $$$$
    6747. 

  6747. Rob_04
    6748. 

  6748.   MOE2005           2D
    6749. 

  6749. 

  6750.  45 46  0  0  1  0  0  0  0  0999 V2000
    6751. 

  6751.     0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6752. 

  6752.    -0.0090   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6753. 

  6753.    -1.3220   -3.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6754. 

  6754.    -1.3130   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6755. 

  6755.    -2.6070   -1.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6756. 

  6756.    -1.2940    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6757. 

  6757.    -1.2850    2.2580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6758. 

  6758.    -2.5980    0.0160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6759. 

  6759.    -2.5790    3.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6760. 

  6760.    -2.5700    4.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6761. 

  6761.    -2.5610    6.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6762. 

  6762.     1.3040    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6763. 

  6763.     2.5980   -0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6764. 

  6764.     3.9110    2.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6765. 

  6765.     2.6170    2.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6766. 

  6766.     1.3130    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6767. 

  6767.     3.9020    0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6768. 

  6768.     5.1960   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6769. 

  6769.     7.7940   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6770. 

  6770.     7.7850   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6771. 

  6771.     6.4810   -2.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6772. 

  6772.     5.1870   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6773. 

  6773.     6.5000    0.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6774. 

  6774.     1.0390   -0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6775. 

  6775.     1.1740   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6776. 

  6776.     0.3940   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6777. 

  6777.    -2.5220   -3.7340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6778. 

  6778.    -1.3300   -4.9420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6779. 

  6779.    -0.1220   -3.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6780. 

  6780.    -2.3520   -2.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6781. 

  6781.    -2.0010   -0.4480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6782. 

  6782.    -3.6430   -0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6783. 

  6783.    -3.2140   -2.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6784. 

  6784.    -0.2420    2.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6785. 

  6785.    -2.9970    1.8910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6786. 

  6786.    -3.7600    3.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6787. 

  6787.     2.5900   -1.2160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6788. 

  6788.     4.9540    2.8190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6789. 

  6789.     2.6240    4.1840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6790. 

  6790.     0.2780    2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6791. 

  6791.     8.8370    0.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6792. 

  6792.     8.8200   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6793. 

  6793.     6.4740   -3.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6794. 

  6794.     4.1440   -2.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6795. 

  6795.     6.5070    1.9090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6796. 

  6796.   1 24  1  0  0  0  0
    6797. 

  6797.   1 12  1  0  0  0  0
    6798. 

  6798.   1  6  1  0  0  0  0
    6799. 

  6799.   1  2  1  0  0  0  0
    6800. 

  6800.   2 25  1  0  0  0  0
    6801. 

  6801.   2  4  1  0  0  0  0
    6802. 

  6802.   2 26  1  0  0  0  0
    6803. 

  6803.   3  4  1  0  0  0  0
    6804. 

  6804.   3 28  1  0  0  0  0
    6805. 

  6805.   3 27  1  0  0  0  0
    6806. 

  6806.   3 29  1  0  0  0  0
    6807. 

  6807.   4  5  1  0  0  0  0
    6808. 

  6808.   4 30  1  0  0  0  0
    6809. 

  6809.   5 32  1  0  0  0  0
    6810. 

  6810.   5 31  1  0  0  0  0
    6811. 

  6811.   5 33  1  0  0  0  0
    6812. 

  6812.   6  7  1  0  0  0  0
    6813. 

  6813.   6  8  2  0  0  0  0
    6814. 

  6814.   7  9  1  0  0  0  0
    6815. 

  6815.   7 34  1  0  0  0  0
    6816. 

  6816.   9 35  1  0  0  0  0
    6817. 

  6817.   9 10  1  0  0  0  0
    6818. 

  6818.   9 36  1  0  0  0  0
    6819. 

  6819.  10 11  3  0  0  0  0
    6820. 

  6820.  12 13  1  0  0  0  0
    6821. 

  6821.  12 16  2  0  0  0  0
    6822. 

  6822.  13 17  2  0  0  0  0
    6823. 

  6823.  13 37  1  0  0  0  0
    6824. 

  6824.  14 17  1  0  0  0  0
    6825. 

  6825.  14 38  1  0  0  0  0
    6826. 

  6826.  14 15  2  0  0  0  0
    6827. 

  6827.  15 39  1  0  0  0  0
    6828. 

  6828.  15 16  1  0  0  0  0
    6829. 

  6829.  16 40  1  0  0  0  0
    6830. 

  6830.  17 18  1  0  0  0  0
    6831. 

  6831.  18 22  2  0  0  0  0
    6832. 

  6832.  18 23  1  0  0  0  0
    6833. 

  6833.  19 20  1  0  0  0  0
    6834. 

  6834.  19 41  1  0  0  0  0
    6835. 

  6835.  19 23  2  0  0  0  0
    6836. 

  6836.  20 21  2  0  0  0  0
    6837. 

  6837.  20 42  1  0  0  0  0
    6838. 

  6838.  21 22  1  0  0  0  0
    6839. 

  6839.  21 43  1  0  0  0  0
    6840. 

  6840.  22 44  1  0  0  0  0
    6841. 

  6841.  23 45  1  0  0  0  0
    6842. 

  6842. M  END
    6843. 

  6843. >  <ID>
    6844. 

  6844. Rob_04
    6845. 

  6845. 

  6846. >  <Cathepsin L nM>
    6847. 

  6847. 498
    6848. 

  6848. 

  6849. >  <Cathepsin B nM>
    6850. 

  6850. 10000
    6851. 

  6851. 

  6852. > <FP:MACCS>
    6853. 

  6853. 41 62 74 79 82 90 92 100 110 111 115 117 125 128 142 145 149 151 153 154 155 156 158 160 161 162 163 164 165
    6854. 

  6854. 

  6855. $$$$
    6856. 

  6856. Gau_16
    6857. 

  6857.   MOE2005           2D
    6858. 

  6858. 

  6859.  54 56  0  0  1  0  0  0  0  0999 V2000
    6860. 

  6860.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6861. 

  6861.    -2.2580   -1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6862. 

  6862.    -0.7580   -1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6863. 

  6863.    -0.7420    1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6864. 

  6864.    -2.2420    1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6865. 

  6865.    -3.0000    0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6866. 

  6866.    -4.5000    0.0260    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6867. 

  6867.    -5.2580   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6868. 

  6868.    -3.9630   -2.0260    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6869. 

  6869.    -6.5520   -0.5100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6870. 

  6870.    -6.0150   -2.5630    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6871. 

  6871.    -5.2420    1.3300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6872. 

  6872.    -6.7420    1.3390    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6873. 

  6873.    -7.5000    0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6874. 

  6874.    -7.4850    2.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6875. 

  6875.    -8.9840    2.6510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6876. 

  6876.    -6.7270    3.9370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6877. 

  6877.    -8.9580    5.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6878. 

  6878.    -8.3750    6.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6879. 

  6879.    -9.0000    0.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6880. 

  6880.    -8.9910    1.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6881. 

  6881.    -9.0090   -1.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6882. 

  6882.   -10.5000    0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6883. 

  6883.   -11.2580   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6884. 

  6884.   -11.2730   -3.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6885. 

  6885.   -10.5150   -2.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6886. 

  6886.   -12.7570   -1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6887. 

  6887.   -13.5150   -2.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6888. 

  6888.   -12.7730   -3.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6889. 

  6889.     1.5000   -0.0090    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6890. 

  6890.    -9.0150   -2.5450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6891. 

  6891.    -7.4690    5.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6892. 

  6892.    -6.0180    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6893. 

  6893.    -4.5670    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6894. 

  6894.   -13.5000    0.0800    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6895. 

  6895.    -2.8640   -2.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6896. 

  6896.    -0.1640   -2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6897. 

  6897.    -0.1360    2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6898. 

  6898.    -2.8360    2.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6899. 

  6899.    -3.9000    1.0660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6900. 

  6900.    -4.6360    2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6901. 

  6901.    -6.1420    2.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6902. 

  6902.    -6.9370   -0.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6903. 

  6903.    -7.7150   -1.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6904. 

  6904.    -5.5270    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6905. 

  6905.   -10.1280    5.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6906. 

  6906.    -9.0170    3.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6907. 

  6907.    -9.3840    7.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6908. 

  6908.    -7.5600    7.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6909. 

  6909.   -10.2840    1.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6910. 

  6910.   -11.6250    0.4790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6911. 

  6911.   -10.6790   -4.8740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6912. 

  6912.   -14.7150   -2.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6913. 

  6913.   -13.3790   -4.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6914. 

  6914.   1 30  1  0  0  0  0
    6915. 

  6915.   1  4  2  0  0  0  0
    6916. 

  6916.   1  3  1  0  0  0  0
    6917. 

  6917.   2  6  1  0  0  0  0
    6918. 

  6918.   2 36  1  0  0  0  0
    6919. 

  6919.   2  3  2  0  0  0  0
    6920. 

  6920.   3 37  1  0  0  0  0
    6921. 

  6921.   4  5  1  0  0  0  0
    6922. 

  6922.   4 38  1  0  0  0  0
    6923. 

  6923.   5  6  2  0  0  0  0
    6924. 

  6924.   5 39  1  0  0  0  0
    6925. 

  6925.   6  7  1  0  0  0  0
    6926. 

  6926.   7 12  1  0  0  0  0
    6927. 

  6927.   7  8  1  1  0  0  0
    6928. 

  6928.   7 40  1  6  0  0  0
    6929. 

  6929.   8 10  1  0  0  0  0
    6930. 

  6930.   8  9  1  0  0  0  0
    6931. 

  6931.   8 11  1  0  0  0  0
    6932. 

  6932.  12 13  1  0  0  0  0
    6933. 

  6933.  12 41  1  0  0  0  0
    6934. 

  6934.  13 15  1  0  0  0  0
    6935. 

  6935.  13 14  1  1  0  0  0
    6936. 

  6936.  13 42  1  6  0  0  0
    6937. 

  6937.  14 43  1  0  0  0  0
    6938. 

  6938.  14 20  1  0  0  0  0
    6939. 

  6939.  14 44  1  0  0  0  0
    6940. 

  6940.  15 16  2  0  0  0  0
    6941. 

  6941.  15 17  1  0  0  0  0
    6942. 

  6942.  17 32  1  0  0  0  0
    6943. 

  6943.  17 45  1  0  0  0  0
    6944. 

  6944.  18 32  1  0  0  0  0
    6945. 

  6945.  18 46  1  0  0  0  0
    6946. 

  6946.  18 47  1  0  0  0  0
    6947. 

  6947.  18 19  1  0  0  0  0
    6948. 

  6948.  19 32  1  0  0  0  0
    6949. 

  6949.  19 48  1  0  0  0  0
    6950. 

  6950.  19 49  1  0  0  0  0
    6951. 

  6951.  20 22  2  0  0  0  0
    6952. 

  6952.  20 21  2  0  0  0  0
    6953. 

  6953.  20 23  1  0  0  0  0
    6954. 

  6954.  23 50  1  0  0  0  0
    6955. 

  6955.  23 24  1  0  0  0  0
    6956. 

  6956.  23 51  1  0  0  0  0
    6957. 

  6957.  24 26  1  0  0  0  0
    6958. 

  6958.  24 27  2  0  0  0  0
    6959. 

  6959.  25 26  2  0  0  0  0
    6960. 

  6960.  25 29  1  0  0  0  0
    6961. 

  6961.  25 52  1  0  0  0  0
    6962. 

  6962.  26 31  1  0  0  0  0
    6963. 

  6963.  27 35  1  0  0  0  0
    6964. 

  6964.  27 28  1  0  0  0  0
    6965. 

  6965.  28 29  2  0  0  0  0
    6966. 

  6966.  28 53  1  0  0  0  0
    6967. 

  6967.  29 54  1  0  0  0  0
    6968. 

  6968.  32 33  1  0  0  0  0
    6969. 

  6969.  33 34  3  0  0  0  0
    6970. 

  6970. M  END
    6971. 

  6971. >  <ID>
    6972. 

  6972. Gau_16
    6973. 

  6973. 

  6974. >  <Cathepsin L nM>
    6975. 

  6975. 249
    6976. 

  6976. 

  6977. >  <Cathepsin B nM>
    6978. 

  6978. 10000
    6979. 

  6979. 

  6980. > <FP:MACCS>
    6981. 

  6981. 22 41 42 51 54 55 58 60 61 66 67 73 79 86 87 88 90 91 92 95 97 102 103 104 106 107 110 111 112 117 124 125 130 131 132 133 134 136 138 142 144 145 146 147 148 150 151 153 154 155 156 158 159 161 162 163 164 165
    6982. 

  6982. 

  6983. $$$$
    6984. 

  6984. Bla_10
    6985. 

  6985.   MOE2005           2D
    6986. 

  6986. 

  6987.  43 43  0  0  1  0  0  0  0  0999 V2000
    6988. 

  6988.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6989. 

  6989.    -1.5000    0.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6990. 

  6990.     0.7420   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6991. 

  6991.     1.4830   -2.6080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6992. 

  6992.     2.0450   -0.5620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6993. 

  6993.    -0.5620   -2.0450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6994. 

  6994.    -2.2580   -1.2840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6995. 

  6995.    -3.7580   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6996. 

  6996.    -4.5170   -2.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6997. 

  6997.    -4.5000    0.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6998. 

  6998.    -6.0000    0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6999. 

  6999.    -6.7410    1.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7000. 

  7000.    -7.4830    2.6470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7001. 

  7001.    -1.5170   -2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7002. 

  7002.    -2.2750   -3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7003. 

  7003.    -1.5340   -5.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7004. 

  7004.    -3.7750   -3.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7005. 

  7005.     0.7580    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7006. 

  7006.     2.2580    1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7007. 

  7007.     3.0170    2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7008. 

  7008.     2.2750    3.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7009. 

  7009.     0.7750    3.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7010. 

  7010.     0.0170    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7011. 

  7011.    -0.6000    1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7012. 

  7012.    -2.0930    1.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7013. 

  7013.    -2.8580   -0.2450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7014. 

  7014.    -3.8930    1.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7015. 

  7015.    -5.7990   -1.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7016. 

  7016.    -7.1300   -0.3640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7017. 

  7017.    -1.0550   -2.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7018. 

  7018.    -0.6030   -3.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7019. 

  7019.    -2.8750   -4.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7020. 

  7020.    -2.5770   -5.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7021. 

  7021.    -0.9400   -6.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7022. 

  7022.    -0.4910   -4.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7023. 

  7023.    -3.7670   -2.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7024. 

  7024.    -4.9750   -3.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7025. 

  7025.    -3.7830   -5.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7026. 

  7026.     2.8520    0.2410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7027. 

  7027.     4.2170    2.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7028. 

  7028.     2.8820    4.9180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7029. 

  7029.     0.1820    4.9350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7030. 

  7030.    -1.1830    2.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7031. 

  7031.   1 24  1  6  0  0  0
    7032. 

  7032.   1 18  1  0  0  0  0
    7033. 

  7033.   1  3  1  0  0  0  0
    7034. 

  7034.   1  2  1  1  0  0  0
    7035. 

  7035.   2  7  1  0  0  0  0
    7036. 

  7036.   2 25  1  0  0  0  0
    7037. 

  7037.   3  5  1  0  0  0  0
    7038. 

  7038.   3  4  1  0  0  0  0
    7039. 

  7039.   3  6  1  0  0  0  0
    7040. 

  7040.   7 14  1  1  0  0  0
    7041. 

  7041.   7  8  1  0  0  0  0
    7042. 

  7042.   7 26  1  6  0  0  0
    7043. 

  7043.   8  9  2  0  0  0  0
    7044. 

  7044.   8 10  1  0  0  0  0
    7045. 

  7045.  10 11  1  0  0  0  0
    7046. 

  7046.  10 27  1  0  0  0  0
    7047. 

  7047.  11 28  1  0  0  0  0
    7048. 

  7048.  11 12  1  0  0  0  0
    7049. 

  7049.  11 29  1  0  0  0  0
    7050. 

  7050.  12 13  3  0  0  0  0
    7051. 

  7051.  14 30  1  0  0  0  0
    7052. 

  7052.  14 15  1  0  0  0  0
    7053. 

  7053.  14 31  1  0  0  0  0
    7054. 

  7054.  15 17  1  0  0  0  0
    7055. 

  7055.  15 16  1  0  0  0  0
    7056. 

  7056.  15 32  1  0  0  0  0
    7057. 

  7057.  16 34  1  0  0  0  0
    7058. 

  7058.  16 33  1  0  0  0  0
    7059. 

  7059.  16 35  1  0  0  0  0
    7060. 

  7060.  17 37  1  0  0  0  0
    7061. 

  7061.  17 36  1  0  0  0  0
    7062. 

  7062.  17 38  1  0  0  0  0
    7063. 

  7063.  18 19  1  0  0  0  0
    7064. 

  7064.  18 23  2  0  0  0  0
    7065. 

  7065.  19 20  2  0  0  0  0
    7066. 

  7066.  19 39  1  0  0  0  0
    7067. 

  7067.  20 21  1  0  0  0  0
    7068. 

  7068.  20 40  1  0  0  0  0
    7069. 

  7069.  21 22  2  0  0  0  0
    7070. 

  7070.  21 41  1  0  0  0  0
    7071. 

  7071.  22 42  1  0  0  0  0
    7072. 

  7072.  22 23  1  0  0  0  0
    7073. 

  7073.  23 43  1  0  0  0  0
    7074. 

  7074. M  END
    7075. 

  7075. >  <ID>
    7076. 

  7076. Bla_10
    7077. 

  7077. 

  7078. >  <Cathepsin L nM>
    7079. 

  7079. 34
    7080. 

  7080. 

  7081. >  <Cathepsin B nM>
    7082. 

  7082. 10000
    7083. 

  7083. 

  7084. > <FP:MACCS>
    7085. 

  7085. 41 42 54 74 79 82 90 91 92 95 100 104 106 107 110 111 112 115 117 128 131 134 142 149 151 153 154 155 156 158 160 161 162 163 164 165
    7086. 

  7086. 

  7087. $$$$
    7088. 

  7088. Oue24a
    7089. 

  7089.   MOE2005           2D
    7090. 

  7090. 

  7091.  50 52  0  0  0  0  0  0  0  0999 V2000
    7092. 

  7092.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7093. 

  7093.    -1.5000   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7094. 

  7094.    -3.0000   -0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7095. 

  7095.    -2.7980    1.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7096. 

  7096.    -4.1300    0.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7097. 

  7097.    -3.7430   -1.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7098. 

  7098.    -3.1370   -2.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7099. 

  7099.    -5.2430   -1.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7100. 

  7100.    -5.9860   -2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7101. 

  7101.    -4.7860   -2.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7102. 

  7102.    -6.0000   -0.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7103. 

  7103.    -7.4860   -2.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7104. 

  7104.    -7.2840   -1.4560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7105. 

  7105.    -8.6160   -2.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7106. 

  7106.    -8.2280   -3.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7107. 

  7107.    -9.1520   -3.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7108. 

  7108.    -9.1440   -4.7190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7109. 

  7109.    -7.4710   -5.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7110. 

  7110.    -6.8710   -6.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7111. 

  7111.    -5.9710   -5.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7112. 

  7112.    -6.1730   -6.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7113. 

  7113.    -4.8420   -5.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7114. 

  7114.    -5.2280   -3.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7115. 

  7115.    -4.3140   -3.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7116. 

  7116.    -4.3050   -4.6920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7117. 

  7117.   -10.4710   -5.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7118. 

  7118.    -9.7140   -6.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7119. 

  7119.    -9.7280   -3.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7120. 

  7120.    -9.1280   -3.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7121. 

  7121.   -10.4860   -2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7122. 

  7122.    -9.8910   -1.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7123. 

  7123.   -11.9860   -2.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7124. 

  7124.   -12.5910   -1.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7125. 

  7125.   -12.7280   -3.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7126. 

  7126.   -14.2280   -3.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7127. 

  7127.   -14.9860   -2.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7128. 

  7128.   -13.9500   -2.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7129. 

  7129.   -15.5910   -1.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7130. 

  7130.   -16.0210   -3.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7131. 

  7131.   -11.9710   -5.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7132. 

  7132.   -12.5660   -6.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7133. 

  7133.    -8.2140   -6.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7134. 

  7134.    -7.4570   -7.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7135. 

  7135.    -6.2570   -7.8290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7136. 

  7136.    -8.2000   -9.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7137. 

  7137.    -7.5940  -10.1740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7138. 

  7138.    -9.7000   -9.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7139. 

  7139.   -10.2940  -10.1890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7140. 

  7140.   -10.4570   -7.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7141. 

  7141.   -11.6570   -7.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7142. 

  7142.   1  2  3  0  0  0  0
    7143. 

  7143.   2  3  1  0  0  0  0
    7144. 

  7144.   3  5  1  0  0  0  0
    7145. 

  7145.   3  4  1  0  0  0  0
    7146. 

  7146.   3  6  1  0  0  0  0
    7147. 

  7147.   6  7  1  0  0  0  0
    7148. 

  7148.   6  8  1  0  0  0  0
    7149. 

  7149.   8  9  1  0  0  0  0
    7150. 

  7150.   8 11  2  0  0  0  0
    7151. 

  7151.   9 12  1  0  0  0  0
    7152. 

  7152.   9 10  1  0  0  0  0
    7153. 

  7153.   9 23  1  0  0  0  0
    7154. 

  7154.  12 14  1  0  0  0  0
    7155. 

  7155.  12 13  1  0  0  0  0
    7156. 

  7156.  12 15  1  0  0  0  0
    7157. 

  7157.  15 17  1  0  0  0  0
    7158. 

  7158.  15 16  1  0  0  0  0
    7159. 

  7159.  15 18  1  0  0  0  0
    7160. 

  7160.  18 20  1  0  0  0  0
    7161. 

  7161.  18 19  1  0  0  0  0
    7162. 

  7162.  18 42  1  0  0  0  0
    7163. 

  7163.  20 22  1  0  0  0  0
    7164. 

  7164.  20 21  1  0  0  0  0
    7165. 

  7165.  20 23  1  0  0  0  0
    7166. 

  7166.  23 24  1  0  0  0  0
    7167. 

  7167.  23 25  1  0  0  0  0
    7168. 

  7168.  26 27  1  0  0  0  0
    7169. 

  7169.  26 28  1  0  0  0  0
    7170. 

  7170.  26 40  2  0  0  0  0
    7171. 

  7171.  27 42  1  0  0  0  0
    7172. 

  7172.  27 49  2  0  0  0  0
    7173. 

  7173.  28 29  1  0  0  0  0
    7174. 

  7174.  28 30  2  0  0  0  0
    7175. 

  7175.  30 31  1  0  0  0  0
    7176. 

  7176.  30 32  1  0  0  0  0
    7177. 

  7177.  32 33  1  0  0  0  0
    7178. 

  7178.  32 34  2  0  0  0  0
    7179. 

  7179.  34 35  1  0  0  0  0
    7180. 

  7180.  34 40  1  0  0  0  0
    7181. 

  7181.  35 36  1  0  0  0  0
    7182. 

  7182.  36 38  1  0  0  0  0
    7183. 

  7183.  36 37  1  0  0  0  0
    7184. 

  7184.  36 39  1  0  0  0  0
    7185. 

  7185.  40 41  1  0  0  0  0
    7186. 

  7186.  42 43  2  0  0  0  0
    7187. 

  7187.  43 44  1  0  0  0  0
    7188. 

  7188.  43 45  1  0  0  0  0
    7189. 

  7189.  45 47  2  0  0  0  0
    7190. 

  7190.  45 46  1  0  0  0  0
    7191. 

  7191.  47 49  1  0  0  0  0
    7192. 

  7192.  47 48  1  0  0  0  0
    7193. 

  7193.  49 50  1  0  0  0  0
    7194. 

  7194. M  END
    7195. 

  7195. >  <ID>
    7196. 

  7196. Oue24a
    7197. 

  7197. 

  7198. >  <Cathepsin L nM>
    7199. 

  7199. 7280
    7200. 

  7200. 

  7201. >  <Cathepsin B nM>
    7202. 

  7202. 9880
    7203. 

  7203. 

  7204. > <FP:MACCS>
    7205. 

  7205. 41 59 62 64 79 81 82 88 90 91 92 93 100 110 111 117 118 125 128 129 142 144 145 147 150 151 153 154 155 156 158 160 161 162 163 164 165
    7206. 

  7206. 

  7207. $$$$
    7208. 

  7208. Gau_07
    7209. 

  7209.   MOE2005           2D
    7210. 

  7210. 

  7211.  43 44  0  0  1  0  0  0  0  0999 V2000
    7212. 

  7212.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7213. 

  7213.    -1.3100   -2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7214. 

  7214.    -0.0070   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7215. 

  7215.    -1.2950    0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7216. 

  7216.    -2.5980    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7217. 

  7217.    -2.6050   -1.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7218. 

  7218.    -3.9080   -2.2310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7219. 

  7219.    -3.9150   -3.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7220. 

  7220.    -3.9220   -5.2310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7221. 

  7221.    -2.4150   -3.7380    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7222. 

  7222.    -5.4150   -3.7240    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7223. 

  7223.    -5.2030   -1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7224. 

  7224.    -6.5060   -2.2190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7225. 

  7225.    -6.5130   -3.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7226. 

  7226.    -7.8010   -1.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7227. 

  7227.    -9.1040   -2.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7228. 

  7228.    -7.7940    0.0370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7229. 

  7229.    -8.0240    1.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7230. 

  7230.    -6.9580    2.9040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7231. 

  7231.    -9.0900    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7232. 

  7232.   -10.2840   -0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7233. 

  7233.   -10.4730    1.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7234. 

  7234.    -7.8230   -5.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7235. 

  7235.     1.3030    0.7440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7236. 

  7236.    -7.8160   -4.4630    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7237. 

  7237.    -9.1110   -3.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7238. 

  7238.    -1.3160   -3.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7239. 

  7239.     1.0290   -2.1050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7240. 

  7240.    -1.2900    1.9560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7241. 

  7241.    -3.6340    0.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7242. 

  7242.    -3.9080   -1.0310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7243. 

  7243.    -5.1980   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7244. 

  7244.    -6.5060   -1.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7245. 

  7245.    -5.9220   -3.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7246. 

  7246.    -6.1080   -4.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7247. 

  7247.    -6.7520    0.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7248. 

  7248.    -9.7350   -1.1810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7249. 

  7249.   -11.4300   -0.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7250. 

  7250.   -10.2070    2.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7251. 

  7251.   -11.6710    1.4320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7252. 

  7252.    -9.0230   -5.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7253. 

  7253.    -7.8280   -7.1630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7254. 

  7254.    -6.6230   -5.9680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7255. 

  7255.   1 24  1  0  0  0  0
    7256. 

  7256.   1  4  2  0  0  0  0
    7257. 

  7257.   1  3  1  0  0  0  0
    7258. 

  7258.   2  6  1  0  0  0  0
    7259. 

  7259.   2 27  1  0  0  0  0
    7260. 

  7260.   2  3  2  0  0  0  0
    7261. 

  7261.   3 28  1  0  0  0  0
    7262. 

  7262.   4  5  1  0  0  0  0
    7263. 

  7263.   4 29  1  0  0  0  0
    7264. 

  7264.   5  6  2  0  0  0  0
    7265. 

  7265.   5 30  1  0  0  0  0
    7266. 

  7266.   6  7  1  0  0  0  0
    7267. 

  7267.   7 12  1  0  0  0  0
    7268. 

  7268.   7  8  1  1  0  0  0
    7269. 

  7269.   7 31  1  6  0  0  0
    7270. 

  7270.   8 10  1  0  0  0  0
    7271. 

  7271.   8  9  1  0  0  0  0
    7272. 

  7272.   8 11  1  0  0  0  0
    7273. 

  7273.  12 13  1  0  0  0  0
    7274. 

  7274.  12 32  1  0  0  0  0
    7275. 

  7275.  13 15  1  0  0  0  0
    7276. 

  7276.  13 14  1  1  0  0  0
    7277. 

  7277.  13 33  1  6  0  0  0
    7278. 

  7278.  14 34  1  0  0  0  0
    7279. 

  7279.  14 25  1  0  0  0  0
    7280. 

  7280.  14 35  1  0  0  0  0
    7281. 

  7281.  15 16  2  0  0  0  0
    7282. 

  7282.  15 17  1  0  0  0  0
    7283. 

  7283.  17 20  1  0  0  0  0
    7284. 

  7284.  17 36  1  0  0  0  0
    7285. 

  7285.  18 20  1  0  0  0  0
    7286. 

  7286.  18 19  3  0  0  0  0
    7287. 

  7287.  20 21  1  0  0  0  0
    7288. 

  7288.  20 22  1  0  0  0  0
    7289. 

  7289.  21 37  1  0  0  0  0
    7290. 

  7290.  21 38  1  0  0  0  0
    7291. 

  7291.  21 22  1  0  0  0  0
    7292. 

  7292.  22 39  1  0  0  0  0
    7293. 

  7293.  22 40  1  0  0  0  0
    7294. 

  7294.  23 25  1  0  0  0  0
    7295. 

  7295.  23 42  1  0  0  0  0
    7296. 

  7296.  23 41  1  0  0  0  0
    7297. 

  7297.  23 43  1  0  0  0  0
    7298. 

  7298.  25 26  2  0  0  0  0
    7299. 

  7299. M  END
    7300. 

  7300. >  <ID>
    7301. 

  7301. Gau_07
    7302. 

  7302. 

  7303. >  <Cathepsin L nM>
    7304. 

  7304. 10000
    7305. 

  7305. 

  7306. >  <Cathepsin B nM>
    7307. 

  7307. 9724
    7308. 

  7308. 

  7309. > <FP:MACCS>
    7310. 

  7310. 22 41 42 51 54 60 61 66 67 73 79 86 87 88 90 92 93 95 97 102 104 106 107 110 111 112 115 117 124 131 132 133 134 136 142 147 148 151 153 154 155 156 158 159 160 161 162 163 164 165
    7311. 

  7311. 

  7312. $$$$
    7313. 

  7313. Bla_16
    7314. 

  7314.   MOE2005           2D
    7315. 

  7315. 

  7316.  53 54  0  0  1  0  0  0  0  0999 V2000
    7317. 

  7317.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7318. 

  7318.    -0.7470   -1.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7319. 

  7319.    -0.7530    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7320. 

  7320.    -1.5060    2.5940    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7321. 

  7321.    -2.0500    0.5440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7322. 

  7322.     0.5440    2.0500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7323. 

  7323.    -2.2470   -1.3050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7324. 

  7324.    -2.9940   -2.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7325. 

  7325.    -4.4940   -2.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7326. 

  7326.    -2.2400   -3.9030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7327. 

  7327.    -2.9870   -5.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7328. 

  7328.    -2.2340   -6.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7329. 

  7329.    -1.4800   -7.7980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7330. 

  7330.    -3.0000   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7331. 

  7331.    -4.5000   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7332. 

  7332.    -5.2530    1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7333. 

  7333.    -5.2470   -1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7334. 

  7334.     1.5000    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7335. 

  7335.     2.2530   -1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7336. 

  7336.     3.7530   -1.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7337. 

  7337.     4.5000    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7338. 

  7338.     3.7470    1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7339. 

  7339.     2.2470    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7340. 

  7340.     6.0000    0.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7341. 

  7341.     6.7470    1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7342. 

  7342.     8.2470    1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7343. 

  7343.     9.0000    0.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7344. 

  7344.     8.2530   -1.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7345. 

  7345.     6.7530   -1.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7346. 

  7346.    10.5000    0.0260    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7347. 

  7347.     8.9940    2.6210    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7348. 

  7348.     0.6000   -1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7349. 

  7349.    -0.1440   -2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7350. 

  7350.    -1.6470   -2.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7351. 

  7351.    -1.0400   -3.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7352. 

  7352.    -3.9080   -4.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7353. 

  7353.    -3.9040   -5.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7354. 

  7354.    -2.4370    0.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7355. 

  7355.    -3.2110    1.1740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7356. 

  7356.    -5.7000   -0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7357. 

  7357.    -4.2160    1.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7358. 

  7358.    -5.8560    2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7359. 

  7359.    -6.2910    0.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7360. 

  7360.    -6.2880   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7361. 

  7361.    -5.8440   -2.3530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7362. 

  7362.    -4.2060   -1.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7363. 

  7363.     1.6560   -2.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7364. 

  7364.     4.3560   -2.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7365. 

  7365.     4.3440    2.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7366. 

  7366.     1.6440    2.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7367. 

  7367.     6.1440    2.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7368. 

  7368.     8.8560   -2.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7369. 

  7369.     6.1560   -2.3230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7370. 

  7370.   1 32  1  1  0  0  0
    7371. 

  7371.   1 18  1  0  0  0  0
    7372. 

  7372.   1  3  1  0  0  0  0
    7373. 

  7373.   1  2  1  6  0  0  0
    7374. 

  7374.   2  7  1  0  0  0  0
    7375. 

  7375.   2 33  1  0  0  0  0
    7376. 

  7376.   3  5  1  0  0  0  0
    7377. 

  7377.   3  4  1  0  0  0  0
    7378. 

  7378.   3  6  1  0  0  0  0
    7379. 

  7379.   7 14  1  6  0  0  0
    7380. 

  7380.   7  8  1  0  0  0  0
    7381. 

  7381.   7 34  1  1  0  0  0
    7382. 

  7382.   8  9  2  0  0  0  0
    7383. 

  7383.   8 10  1  0  0  0  0
    7384. 

  7384.  10 11  1  0  0  0  0
    7385. 

  7385.  10 35  1  0  0  0  0
    7386. 

  7386.  11 36  1  0  0  0  0
    7387. 

  7387.  11 12  1  0  0  0  0
    7388. 

  7388.  11 37  1  0  0  0  0
    7389. 

  7389.  12 13  3  0  0  0  0
    7390. 

  7390.  14 38  1  0  0  0  0
    7391. 

  7391.  14 15  1  0  0  0  0
    7392. 

  7392.  14 39  1  0  0  0  0
    7393. 

  7393.  15 17  1  0  0  0  0
    7394. 

  7394.  15 16  1  0  0  0  0
    7395. 

  7395.  15 40  1  0  0  0  0
    7396. 

  7396.  16 42  1  0  0  0  0
    7397. 

  7397.  16 41  1  0  0  0  0
    7398. 

  7398.  16 43  1  0  0  0  0
    7399. 

  7399.  17 45  1  0  0  0  0
    7400. 

  7400.  17 44  1  0  0  0  0
    7401. 

  7401.  17 46  1  0  0  0  0
    7402. 

  7402.  18 19  1  0  0  0  0
    7403. 

  7403.  18 23  2  0  0  0  0
    7404. 

  7404.  19 20  2  0  0  0  0
    7405. 

  7405.  19 47  1  0  0  0  0
    7406. 

  7406.  20 21  1  0  0  0  0
    7407. 

  7407.  20 48  1  0  0  0  0
    7408. 

  7408.  21 22  2  0  0  0  0
    7409. 

  7409.  21 24  1  0  0  0  0
    7410. 

  7410.  22 49  1  0  0  0  0
    7411. 

  7411.  22 23  1  0  0  0  0
    7412. 

  7412.  23 50  1  0  0  0  0
    7413. 

  7413.  24 25  1  0  0  0  0
    7414. 

  7414.  24 29  2  0  0  0  0
    7415. 

  7415.  25 26  2  0  0  0  0
    7416. 

  7416.  25 51  1  0  0  0  0
    7417. 

  7417.  26 27  1  0  0  0  0
    7418. 

  7418.  26 31  1  0  0  0  0
    7419. 

  7419.  27 28  2  0  0  0  0
    7420. 

  7420.  27 30  1  0  0  0  0
    7421. 

  7421.  28 52  1  0  0  0  0
    7422. 

  7422.  28 29  1  0  0  0  0
    7423. 

  7423.  29 53  1  0  0  0  0
    7424. 

  7424. M  END
    7425. 

  7425. >  <ID>
    7426. 

  7426. Bla_16
    7427. 

  7427. 

  7428. >  <Cathepsin L nM>
    7429. 

  7429. 1001
    7430. 

  7430. 

  7431. >  <Cathepsin B nM>
    7432. 

  7432. 8869
    7433. 

  7433. 

  7434. > <FP:MACCS>
    7435. 

  7435. 41 42 54 62 74 79 82 87 90 91 92 95 100 104 106 107 110 111 112 115 117 125 128 131 134 142 144 145 149 150 151 153 154 155 156 158 160 161 162 163 164 165
    7436. 

  7436. 

  7437. $$$$
    7438. 

  7438. Gau_24
    7439. 

  7439.   MOE2005           2D
    7440. 

  7440. 

  7441.  51 53  0  0  1  0  0  0  0  0999 V2000
    7442. 

  7442.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7443. 

  7443.     2.2480   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7444. 

  7444.     0.7480   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7445. 

  7445.     0.7520    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7446. 

  7446.     2.2520    1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7447. 

  7447.     3.0000   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7448. 

  7448.     4.5000   -0.0070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7449. 

  7449.     5.2480   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7450. 

  7450.     5.9960   -2.6070    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7451. 

  7451.     6.5480   -0.5590    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7452. 

  7452.     3.9480   -2.0550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7453. 

  7453.     5.2520    1.2910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7454. 

  7454.     6.7520    1.2890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7455. 

  7455.     7.5040    2.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7456. 

  7456.     9.0040    2.5840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7457. 

  7457.     6.7560    3.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7458. 

  7458.     8.4230    6.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7459. 

  7459.     8.9950    4.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7460. 

  7460.     7.5080    5.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7461. 

  7461.     6.0600    5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7462. 

  7462.     4.6110    5.9660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7463. 

  7463.     7.5000   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7464. 

  7464.     9.0020    1.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7465. 

  7465.     8.9980   -1.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7466. 

  7466.     9.0000   -0.0140    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7467. 

  7467.    10.5000   -0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7468. 

  7468.    12.7480   -1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7469. 

  7469.    11.2480   -1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7470. 

  7470.    11.2520    1.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7471. 

  7471.    12.7520    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7472. 

  7472.    13.5000   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7473. 

  7473.    13.4960   -2.6190    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7474. 

  7474.    15.0000   -0.0230    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7475. 

  7475.    -1.2000    0.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7476. 

  7476.     2.8460   -2.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7477. 

  7477.     0.1460   -2.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7478. 

  7478.     0.1540    2.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7479. 

  7479.     2.8540    2.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7480. 

  7480.     3.9000    1.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7481. 

  7481.     4.6540    2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7482. 

  7482.     6.1520    2.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7483. 

  7483.     5.5560    3.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7484. 

  7484.     9.4360    7.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7485. 

  7485.     7.6140    7.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7486. 

  7486.    10.1670    5.2450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7487. 

  7487.     9.0450    3.7880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7488. 

  7488.     6.9360   -0.2160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7489. 

  7489.     7.7070   -1.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7490. 

  7490.    10.6460   -2.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7491. 

  7491.    10.6540    2.3220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7492. 

  7492.    13.3540    2.3180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7493. 

  7493.   1 34  1  0  0  0  0
    7494. 

  7494.   1  4  2  0  0  0  0
    7495. 

  7495.   1  3  1  0  0  0  0
    7496. 

  7496.   2  6  1  0  0  0  0
    7497. 

  7497.   2 35  1  0  0  0  0
    7498. 

  7498.   2  3  2  0  0  0  0
    7499. 

  7499.   3 36  1  0  0  0  0
    7500. 

  7500.   4  5  1  0  0  0  0
    7501. 

  7501.   4 37  1  0  0  0  0
    7502. 

  7502.   5  6  2  0  0  0  0
    7503. 

  7503.   5 38  1  0  0  0  0
    7504. 

  7504.   6  7  1  0  0  0  0
    7505. 

  7505.   7 12  1  6  0  0  0
    7506. 

  7506.   7  8  1  0  0  0  0
    7507. 

  7507.   7 39  1  1  0  0  0
    7508. 

  7508.   8 10  1  0  0  0  0
    7509. 

  7509.   8  9  1  0  0  0  0
    7510. 

  7510.   8 11  1  0  0  0  0
    7511. 

  7511.  12 13  1  0  0  0  0
    7512. 

  7512.  12 40  1  0  0  0  0
    7513. 

  7513.  13 22  1  6  0  0  0
    7514. 

  7514.  13 14  1  0  0  0  0
    7515. 

  7515.  13 41  1  1  0  0  0
    7516. 

  7516.  14 15  2  0  0  0  0
    7517. 

  7517.  14 16  1  0  0  0  0
    7518. 

  7518.  16 19  1  0  0  0  0
    7519. 

  7519.  16 42  1  0  0  0  0
    7520. 

  7520.  17 19  1  0  0  0  0
    7521. 

  7521.  17 43  1  0  0  0  0
    7522. 

  7522.  17 44  1  0  0  0  0
    7523. 

  7523.  17 18  1  0  0  0  0
    7524. 

  7524.  18 19  1  0  0  0  0
    7525. 

  7525.  18 45  1  0  0  0  0
    7526. 

  7526.  18 46  1  0  0  0  0
    7527. 

  7527.  19 20  1  0  0  0  0
    7528. 

  7528.  20 21  3  0  0  0  0
    7529. 

  7529.  22 47  1  0  0  0  0
    7530. 

  7530.  22 25  1  0  0  0  0
    7531. 

  7531.  22 48  1  0  0  0  0
    7532. 

  7532.  23 25  2  0  0  0  0
    7533. 

  7533.  24 25  2  0  0  0  0
    7534. 

  7534.  25 26  1  0  0  0  0
    7535. 

  7535.  26 28  1  0  0  0  0
    7536. 

  7536.  26 29  2  0  0  0  0
    7537. 

  7537.  27 28  2  0  0  0  0
    7538. 

  7538.  27 31  1  0  0  0  0
    7539. 

  7539.  27 32  1  0  0  0  0
    7540. 

  7540.  28 49  1  0  0  0  0
    7541. 

  7541.  29 50  1  0  0  0  0
    7542. 

  7542.  29 30  1  0  0  0  0
    7543. 

  7543.  30 31  2  0  0  0  0
    7544. 

  7544.  30 51  1  0  0  0  0
    7545. 

  7545.  31 33  1  0  0  0  0
    7546. 

  7546. M  END
    7547. 

  7547. >  <ID>
    7548. 

  7548. Gau_24
    7549. 

  7549. 

  7550. >  <Cathepsin L nM>
    7551. 

  7551. 24
    7552. 

  7552. 

  7553. >  <Cathepsin B nM>
    7554. 

  7554. 8507
    7555. 

  7555. 

  7556. > <FP:MACCS>
    7557. 

  7557. 22 41 42 51 54 55 58 59 60 61 64 66 67 73 79 81 87 88 90 92 95 97 102 103 104 106 107 110 111 112 117 124 125 130 131 132 133 134 136 142 144 145 146 147 148 150 151 153 154 155 156 158 159 161 162 163 164 165
    7558. 

  7558. 

  7559. $$$$
    7560. 

  7560. Gau_04
    7561. 

  7561.   MOE2005           2D
    7562. 

  7562. 

  7563.  43 44  0  0  1  0  0  0  0  0999 V2000
    7564. 

  7564.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7565. 

  7565.    -1.3100   -2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7566. 

  7566.    -0.0070   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7567. 

  7567.    -1.2950    0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7568. 

  7568.    -2.5980    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7569. 

  7569.    -2.6050   -1.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7570. 

  7570.    -3.9080   -2.2310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7571. 

  7571.    -3.9150   -3.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7572. 

  7572.    -3.9220   -5.2310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7573. 

  7573.    -2.4150   -3.7380    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7574. 

  7574.    -5.4150   -3.7240    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7575. 

  7575.    -5.2030   -1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7576. 

  7576.    -6.5060   -2.2190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7577. 

  7577.    -6.5130   -3.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7578. 

  7578.    -7.8010   -1.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7579. 

  7579.    -9.1040   -2.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7580. 

  7580.    -7.7940    0.0370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7581. 

  7581.    -8.0240    1.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7582. 

  7582.    -6.9580    2.9040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7583. 

  7583.    -9.0900    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7584. 

  7584.   -10.2840   -0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7585. 

  7585.   -10.4730    1.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7586. 

  7586.    -7.8230   -5.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7587. 

  7587.     1.3030    0.7440    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7588. 

  7588.    -7.8160   -4.4630    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7589. 

  7589.    -9.1110   -3.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7590. 

  7590.    -1.3160   -3.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7591. 

  7591.     1.0290   -2.1050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7592. 

  7592.    -1.2900    1.9560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7593. 

  7593.    -3.6340    0.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7594. 

  7594.    -3.9080   -1.0310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7595. 

  7595.    -5.1980   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7596. 

  7596.    -6.5060   -1.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7597. 

  7597.    -5.9220   -3.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7598. 

  7598.    -6.1080   -4.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7599. 

  7599.    -6.7520    0.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7600. 

  7600.    -9.7350   -1.1810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7601. 

  7601.   -11.4300   -0.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7602. 

  7602.   -10.2070    2.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7603. 

  7603.   -11.6710    1.4320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7604. 

  7604.    -9.0230   -5.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7605. 

  7605.    -7.8280   -7.1630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7606. 

  7606.    -6.6230   -5.9680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7607. 

  7607.   1 24  1  0  0  0  0
    7608. 

  7608.   1  4  2  0  0  0  0
    7609. 

  7609.   1  3  1  0  0  0  0
    7610. 

  7610.   2  6  1  0  0  0  0
    7611. 

  7611.   2 27  1  0  0  0  0
    7612. 

  7612.   2  3  2  0  0  0  0
    7613. 

  7613.   3 28  1  0  0  0  0
    7614. 

  7614.   4  5  1  0  0  0  0
    7615. 

  7615.   4 29  1  0  0  0  0
    7616. 

  7616.   5  6  2  0  0  0  0
    7617. 

  7617.   5 30  1  0  0  0  0
    7618. 

  7618.   6  7  1  0  0  0  0
    7619. 

  7619.   7 12  1  0  0  0  0
    7620. 

  7620.   7  8  1  1  0  0  0
    7621. 

  7621.   7 31  1  6  0  0  0
    7622. 

  7622.   8 10  1  0  0  0  0
    7623. 

  7623.   8  9  1  0  0  0  0
    7624. 

  7624.   8 11  1  0  0  0  0
    7625. 

  7625.  12 13  1  0  0  0  0
    7626. 

  7626.  12 32  1  0  0  0  0
    7627. 

  7627.  13 15  1  0  0  0  0
    7628. 

  7628.  13 14  1  1  0  0  0
    7629. 

  7629.  13 33  1  6  0  0  0
    7630. 

  7630.  14 34  1  0  0  0  0
    7631. 

  7631.  14 25  1  0  0  0  0
    7632. 

  7632.  14 35  1  0  0  0  0
    7633. 

  7633.  15 16  2  0  0  0  0
    7634. 

  7634.  15 17  1  0  0  0  0
    7635. 

  7635.  17 20  1  0  0  0  0
    7636. 

  7636.  17 36  1  0  0  0  0
    7637. 

  7637.  18 20  1  0  0  0  0
    7638. 

  7638.  18 19  3  0  0  0  0
    7639. 

  7639.  20 21  1  0  0  0  0
    7640. 

  7640.  20 22  1  0  0  0  0
    7641. 

  7641.  21 37  1  0  0  0  0
    7642. 

  7642.  21 38  1  0  0  0  0
    7643. 

  7643.  21 22  1  0  0  0  0
    7644. 

  7644.  22 39  1  0  0  0  0
    7645. 

  7645.  22 40  1  0  0  0  0
    7646. 

  7646.  23 25  1  0  0  0  0
    7647. 

  7647.  23 42  1  0  0  0  0
    7648. 

  7648.  23 41  1  0  0  0  0
    7649. 

  7649.  23 43  1  0  0  0  0
    7650. 

  7650.  25 26  2  0  0  0  0
    7651. 

  7651. M  END
    7652. 

  7652. >  <ID>
    7653. 

  7653. Gau_04
    7654. 

  7654. 

  7655. >  <Cathepsin L nM>
    7656. 

  7656. 10000
    7657. 

  7657. 

  7658. >  <Cathepsin B nM>
    7659. 

  7659. 8029
    7660. 

  7660. 

  7661. > <FP:MACCS>
    7662. 

  7662. 22 41 42 46 51 54 60 61 66 67 73 79 86 87 88 90 92 93 95 97 102 104 106 107 110 111 112 115 117 124 131 132 133 134 136 142 147 148 151 153 154 155 156 158 159 160 161 162 163 164 165
    7663. 

  7663. 

  7664. $$$$
    7665. 

  7665. Tri18b
    7666. 

  7666.   MOE2005           2D
    7667. 

  7667. 

  7668.  40 41  0  0  0  0  0  0  0  0999 V2000
    7669. 

  7669.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7670. 

  7670.     1.5000   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7671. 

  7671.     3.0000   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7672. 

  7672.     2.7880   -1.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7673. 

  7673.     4.1260   -0.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7674. 

  7674.     3.7540    1.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7675. 

  7675.     3.1580    2.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7676. 

  7676.     5.2540    1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7677. 

  7677.     6.0090    2.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7678. 

  7678.     6.7540    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7679. 

  7679.     6.4530    0.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7680. 

  7680.     6.0000   -0.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7681. 

  7681.     7.3110    3.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7682. 

  7682.     7.7170    2.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7683. 

  7683.     8.4930    3.5270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7684. 

  7684.     7.3160    4.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7685. 

  7685.     8.4970    4.6100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7686. 

  7686.     7.7300    5.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7687. 

  7687.     6.0200    5.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7688. 

  7688.     6.7940    6.4940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7689. 

  7689.     5.2520    6.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7690. 

  7690.     4.7180    4.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7691. 

  7691.     4.3120    5.9610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7692. 

  7692.     3.5350    4.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7693. 

  7693.     4.7130    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7694. 

  7694.     4.2980    2.2050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7695. 

  7695.     3.5320    3.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7696. 

  7696.     8.2540    1.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7697. 

  7697.     9.0000   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7698. 

  7698.     9.0090    2.5660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7699. 

  7699.    10.5000   -0.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7700. 

  7700.    11.1040    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7701. 

  7701.    11.2450   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7702. 

  7702.    12.7450   -1.3440    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7703. 

  7703.    10.4910   -2.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7704. 

  7704.    11.0870   -3.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7705. 

  7705.     8.9910   -2.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7706. 

  7706.     8.3870   -3.6670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7707. 

  7707.     8.2450   -1.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7708. 

  7708.     7.0450   -1.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7709. 

  7709.   1  2  3  0  0  0  0
    7710. 

  7710.   2  3  1  0  0  0  0
    7711. 

  7711.   3  5  1  0  0  0  0
    7712. 

  7712.   3  4  1  0  0  0  0
    7713. 

  7713.   3  6  1  0  0  0  0
    7714. 

  7714.   6  7  1  0  0  0  0
    7715. 

  7715.   6  8  1  0  0  0  0
    7716. 

  7716.   8  9  1  0  0  0  0
    7717. 

  7717.   8 12  2  0  0  0  0
    7718. 

  7718.   9 13  1  0  0  0  0
    7719. 

  7719.   9 10  1  0  0  0  0
    7720. 

  7720.   9 25  1  0  0  0  0
    7721. 

  7721.  10 11  1  0  0  0  0
    7722. 

  7722.  10 28  1  0  0  0  0
    7723. 

  7723.  13 15  1  0  0  0  0
    7724. 

  7724.  13 14  1  0  0  0  0
    7725. 

  7725.  13 16  1  0  0  0  0
    7726. 

  7726.  16 18  1  0  0  0  0
    7727. 

  7727.  16 17  1  0  0  0  0
    7728. 

  7728.  16 19  1  0  0  0  0
    7729. 

  7729.  19 21  1  0  0  0  0
    7730. 

  7730.  19 20  1  0  0  0  0
    7731. 

  7731.  19 22  1  0  0  0  0
    7732. 

  7732.  22 24  1  0  0  0  0
    7733. 

  7733.  22 23  1  0  0  0  0
    7734. 

  7734.  22 25  1  0  0  0  0
    7735. 

  7735.  25 26  1  0  0  0  0
    7736. 

  7736.  25 27  1  0  0  0  0
    7737. 

  7737.  28 29  1  0  0  0  0
    7738. 

  7738.  28 30  2  0  0  0  0
    7739. 

  7739.  29 31  1  0  0  0  0
    7740. 

  7740.  29 39  2  0  0  0  0
    7741. 

  7741.  31 32  1  0  0  0  0
    7742. 

  7742.  31 33  2  0  0  0  0
    7743. 

  7743.  33 34  1  0  0  0  0
    7744. 

  7744.  33 35  1  0  0  0  0
    7745. 

  7745.  35 36  1  0  0  0  0
    7746. 

  7746.  35 37  2  0  0  0  0
    7747. 

  7747.  37 38  1  0  0  0  0
    7748. 

  7748.  37 39  1  0  0  0  0
    7749. 

  7749.  39 40  1  0  0  0  0
    7750. 

  7750. M  END
    7751. 

  7751. >  <ID>
    7752. 

  7752. Tri18b
    7753. 

  7753. 

  7754. >  <Cathepsin L nM>
    7755. 

  7755. 7900
    7756. 

  7756. 

  7757. >  <Cathepsin B nM>
    7758. 

  7758. 7900
    7759. 

  7759. 

  7760. > <FP:MACCS>
    7761. 

  7761. 41 46 54 66 79 82 87 90 91 92 95 100 104 107 110 111 112 117 118 128 129 131 133 134 136 142 145 147 151 153 154 155 156 158 159 161 162 163 164 165
    7762. 

  7762. 

  7763. $$$$
    7764. 

  7764. Gau_01
    7765. 

  7765.   MOE2005           2D
    7766. 

  7766. 

  7767.  63 65  0  0  1  0  0  0  0  0999 V2000
    7768. 

  7768.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7769. 

  7769.     1.5000   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7770. 

  7770.     2.2520    1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7771. 

  7771.     1.5040    2.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7772. 

  7772.     0.0040    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7773. 

  7773.    -0.7480    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7774. 

  7774.    -2.2480    1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7775. 

  7775.    -4.5000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7776. 

  7776.    -3.0000    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7777. 

  7777.    -2.9960    2.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7778. 

  7778.    -4.4960    2.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7779. 

  7779.    -5.2480    1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7780. 

  7780.    -6.7480    1.3080    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7781. 

  7781.    -7.4960    2.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7782. 

  7782.    -8.7960    1.8600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7783. 

  7783.    -6.1960    3.3570    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7784. 

  7784.    -8.2450    3.9080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7785. 

  7785.    -7.5000    0.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7786. 

  7786.    -9.0000    0.0120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7787. 

  7787.    -9.7480    1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7788. 

  7788.   -11.2480    1.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7789. 

  7789.   -12.0000    0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7790. 

  7790.   -11.9960    2.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7791. 

  7791.    -9.7520   -1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7792. 

  7792.   -11.2520   -1.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7793. 

  7793.    -9.0040   -2.5860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7794. 

  7794.    -8.3070   -4.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7795. 

  7795.    -6.8590   -4.6640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7796. 

  7796.     5.2520    1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7797. 

  7797.     3.7520    1.2940    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7798. 

  7798.     3.7500   -0.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7799. 

  7799.     3.7540    2.7940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7800. 

  7800.    -9.7550   -3.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7801. 

  7801.   -10.6700   -5.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7802. 

  7802.   -11.2420   -3.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7803. 

  7803.    -0.6010   -1.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7804. 

  7804.     2.0990   -1.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7805. 

  7805.     2.1050    3.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7806. 

  7806.    -0.5950    3.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7807. 

  7807.    -5.1010   -1.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7808. 

  7808.    -2.4010   -1.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7809. 

  7809.    -2.3950    3.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7810. 

  7810.    -5.0950    3.6440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7811. 

  7811.    -6.1480    0.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7812. 

  7812.    -6.9010   -1.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7813. 

  7813.    -8.4000   -1.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7814. 

  7814.    -9.1840    1.5170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7815. 

  7815.    -9.9550    2.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7816. 

  7816.   -12.4480    1.3150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7817. 

  7817.   -13.0380    0.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7818. 

  7818.   -12.6010   -1.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7819. 

  7819.   -10.9620   -0.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7820. 

  7820.   -10.9560    3.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7821. 

  7821.   -12.5950    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7822. 

  7822.   -13.0360    2.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7823. 

  7823.    -7.8040   -2.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7824. 

  7824.     5.2500    0.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7825. 

  7825.     6.4520    1.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7826. 

  7826.     5.2540    2.4920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7827. 

  7827.    -9.8610   -5.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7828. 

  7828.   -11.6830   -5.7160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7829. 

  7829.   -11.2930   -2.4870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7830. 

  7830.   -12.4140   -3.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7831. 

  7831.   1 36  1  0  0  0  0
    7832. 

  7832.   1  6  2  0  0  0  0
    7833. 

  7833.   1  2  1  0  0  0  0
    7834. 

  7834.   2 37  1  0  0  0  0
    7835. 

  7835.   2  3  2  0  0  0  0
    7836. 

  7836.   3  4  1  0  0  0  0
    7837. 

  7837.   3 30  1  0  0  0  0
    7838. 

  7838.   4  5  2  0  0  0  0
    7839. 

  7839.   4 38  1  0  0  0  0
    7840. 

  7840.   5  6  1  0  0  0  0
    7841. 

  7841.   5 39  1  0  0  0  0
    7842. 

  7842.   6  7  1  0  0  0  0
    7843. 

  7843.   7  9  1  0  0  0  0
    7844. 

  7844.   7 10  2  0  0  0  0
    7845. 

  7845.   8  9  2  0  0  0  0
    7846. 

  7846.   8 12  1  0  0  0  0
    7847. 

  7847.   8 40  1  0  0  0  0
    7848. 

  7848.   9 41  1  0  0  0  0
    7849. 

  7849.  10 42  1  0  0  0  0
    7850. 

  7850.  10 11  1  0  0  0  0
    7851. 

  7851.  11 12  2  0  0  0  0
    7852. 

  7852.  11 43  1  0  0  0  0
    7853. 

  7853.  12 13  1  0  0  0  0
    7854. 

  7854.  13 18  1  6  0  0  0
    7855. 

  7855.  13 14  1  0  0  0  0
    7856. 

  7856.  13 44  1  1  0  0  0
    7857. 

  7857.  14 16  1  0  0  0  0
    7858. 

  7858.  14 15  1  0  0  0  0
    7859. 

  7859.  14 17  1  0  0  0  0
    7860. 

  7860.  18 19  1  0  0  0  0
    7861. 

  7861.  18 45  1  0  0  0  0
    7862. 

  7862.  19 24  1  0  0  0  0
    7863. 

  7863.  19 20  1  6  0  0  0
    7864. 

  7864.  19 46  1  1  0  0  0
    7865. 

  7865.  20 47  1  0  0  0  0
    7866. 

  7866.  20 21  1  0  0  0  0
    7867. 

  7867.  20 48  1  0  0  0  0
    7868. 

  7868.  21 23  1  0  0  0  0
    7869. 

  7869.  21 22  1  0  0  0  0
    7870. 

  7870.  21 49  1  0  0  0  0
    7871. 

  7871.  22 51  1  0  0  0  0
    7872. 

  7872.  22 50  1  0  0  0  0
    7873. 

  7873.  22 52  1  0  0  0  0
    7874. 

  7874.  23 54  1  0  0  0  0
    7875. 

  7875.  23 53  1  0  0  0  0
    7876. 

  7876.  23 55  1  0  0  0  0
    7877. 

  7877.  24 25  2  0  0  0  0
    7878. 

  7878.  24 26  1  0  0  0  0
    7879. 

  7879.  26 33  1  0  0  0  0
    7880. 

  7880.  26 56  1  0  0  0  0
    7881. 

  7881.  27 33  1  0  0  0  0
    7882. 

  7882.  27 28  3  0  0  0  0
    7883. 

  7883.  29 30  1  0  0  0  0
    7884. 

  7884.  29 58  1  0  0  0  0
    7885. 

  7885.  29 57  1  0  0  0  0
    7886. 

  7886.  29 59  1  0  0  0  0
    7887. 

  7887.  30 31  2  0  0  0  0
    7888. 

  7888.  30 32  2  0  0  0  0
    7889. 

  7889.  33 34  1  0  0  0  0
    7890. 

  7890.  33 35  1  0  0  0  0
    7891. 

  7891.  34 60  1  0  0  0  0
    7892. 

  7892.  34 61  1  0  0  0  0
    7893. 

  7893.  34 35  1  0  0  0  0
    7894. 

  7894.  35 62  1  0  0  0  0
    7895. 

  7895.  35 63  1  0  0  0  0
    7896. 

  7896. M  END
    7897. 

  7897. >  <ID>
    7898. 

  7898. Gau_01
    7899. 

  7899. 

  7900. >  <Cathepsin L nM>
    7901. 

  7901. 456
    7902. 

  7902. 

  7903. >  <Cathepsin B nM>
    7904. 

  7904. 7740
    7905. 

  7905. 

  7906. > <FP:MACCS>
    7907. 

  7907. 22 41 42 51 54 55 58 59 60 61 62 64 66 67 73 74 79 81 88 90 92 93 95 102 104 106 107 110 111 112 115 117 124 125 130 131 133 134 136 141 142 145 146 147 148 149 151 154 155 156 158 159 160 161 162 163 164 165
    7908. 

  7908. 

  7909. $$$$
    7910. 

  7910. Bla_20
    7911. 

  7911.   MOE2005           2D
    7912. 

  7912. 

  7913.  54 55  0  0  1  0  0  0  0  0999 V2000
    7914. 

  7914.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7915. 

  7915.    -0.7510   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7916. 

  7916.    -0.7490    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7917. 

  7917.    -2.0490    0.5500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7918. 

  7918.     0.5500    2.0490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7919. 

  7919.    -1.4990    2.5990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7920. 

  7920.    -2.2510   -1.2980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7921. 

  7921.    -3.0010   -2.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7922. 

  7922.    -4.5010   -2.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7923. 

  7923.    -2.2520   -3.8960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7924. 

  7924.    -3.0030   -5.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7925. 

  7925.    -2.2530   -6.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7926. 

  7926.    -1.5040   -7.7940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7927. 

  7927.    -3.0000    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7928. 

  7928.    -4.5000    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7929. 

  7929.    -5.2490    1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7930. 

  7930.    -5.2510   -1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7931. 

  7931.     1.5000   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7932. 

  7932.     2.2490   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7933. 

  7933.     3.7490   -1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7934. 

  7934.     4.5000   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7935. 

  7935.     3.7510    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7936. 

  7936.     2.2510    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7937. 

  7937.     6.0000   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7938. 

  7938.     6.7510    1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7939. 

  7939.     8.2510    1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7940. 

  7940.     9.0000   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7941. 

  7941.     8.2490   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7942. 

  7942.     6.7490   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7943. 

  7943.    10.5000   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7944. 

  7944.    12.0000   -0.0060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7945. 

  7945.     0.6000   -1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7946. 

  7946.    -0.1510   -2.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7947. 

  7947.    -1.6510   -2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7948. 

  7948.    -1.0520   -3.8970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7949. 

  7949.    -3.9220   -4.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7950. 

  7950.    -3.9220   -5.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7951. 

  7951.    -2.4360    0.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7952. 

  7952.    -3.2080    1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7953. 

  7953.    -5.7000    0.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7954. 

  7954.    -4.2100    1.9010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7955. 

  7955.    -5.8490    2.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7956. 

  7956.    -6.2890    0.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7957. 

  7957.    -6.2900   -0.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7958. 

  7958.    -5.8510   -2.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7959. 

  7959.    -4.2120   -1.8970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7960. 

  7960.     1.6490   -2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7961. 

  7961.     4.3490   -2.3400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7962. 

  7962.     4.3510    2.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7963. 

  7963.     1.6510    2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7964. 

  7964.     6.1510    2.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7965. 

  7965.     8.8510    2.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7966. 

  7966.     8.8490   -2.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7967. 

  7967.     6.1490   -2.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7968. 

  7968.   1 32  1  1  0  0  0
    7969. 

  7969.   1 18  1  0  0  0  0
    7970. 

  7970.   1  3  1  6  0  0  0
    7971. 

  7971.   1  2  1  0  0  0  0
    7972. 

  7972.   2  7  1  0  0  0  0
    7973. 

  7973.   2 33  1  0  0  0  0
    7974. 

  7974.   3  5  1  0  0  0  0
    7975. 

  7975.   3  4  1  0  0  0  0
    7976. 

  7976.   3  6  1  0  0  0  0
    7977. 

  7977.   7 14  1  6  0  0  0
    7978. 

  7978.   7  8  1  0  0  0  0
    7979. 

  7979.   7 34  1  1  0  0  0
    7980. 

  7980.   8  9  2  0  0  0  0
    7981. 

  7981.   8 10  1  0  0  0  0
    7982. 

  7982.  10 11  1  0  0  0  0
    7983. 

  7983.  10 35  1  0  0  0  0
    7984. 

  7984.  11 36  1  0  0  0  0
    7985. 

  7985.  11 12  1  0  0  0  0
    7986. 

  7986.  11 37  1  0  0  0  0
    7987. 

  7987.  12 13  3  0  0  0  0
    7988. 

  7988.  14 38  1  0  0  0  0
    7989. 

  7989.  14 15  1  0  0  0  0
    7990. 

  7990.  14 39  1  0  0  0  0
    7991. 

  7991.  15 17  1  0  0  0  0
    7992. 

  7992.  15 16  1  0  0  0  0
    7993. 

  7993.  15 40  1  0  0  0  0
    7994. 

  7994.  16 42  1  0  0  0  0
    7995. 

  7995.  16 41  1  0  0  0  0
    7996. 

  7996.  16 43  1  0  0  0  0
    7997. 

  7997.  17 45  1  0  0  0  0
    7998. 

  7998.  17 44  1  0  0  0  0
    7999. 

  7999.  17 46  1  0  0  0  0
    8000. 

  8000.  18 19  1  0  0  0  0
    8001. 

  8001.  18 23  2  0  0  0  0
    8002. 

  8002.  19 20  2  0  0  0  0
    8003. 

  8003.  19 47  1  0  0  0  0
    8004. 

  8004.  20 21  1  0  0  0  0
    8005. 

  8005.  20 48  1  0  0  0  0
    8006. 

  8006.  21 22  2  0  0  0  0
    8007. 

  8007.  21 24  1  0  0  0  0
    8008. 

  8008.  22 49  1  0  0  0  0
    8009. 

  8009.  22 23  1  0  0  0  0
    8010. 

  8010.  23 50  1  0  0  0  0
    8011. 

  8011.  24 25  1  0  0  0  0
    8012. 

  8012.  24 29  2  0  0  0  0
    8013. 

  8013.  25 26  2  0  0  0  0
    8014. 

  8014.  25 51  1  0  0  0  0
    8015. 

  8015.  26 27  1  0  0  0  0
    8016. 

  8016.  26 52  1  0  0  0  0
    8017. 

  8017.  27 28  2  0  0  0  0
    8018. 

  8018.  27 30  1  0  0  0  0
    8019. 

  8019.  28 53  1  0  0  0  0
    8020. 

  8020.  28 29  1  0  0  0  0
    8021. 

  8021.  29 54  1  0  0  0  0
    8022. 

  8022.  30 31  3  0  0  0  0
    8023. 

  8023. M  END
    8024. 

  8024. >  <ID>
    8025. 

  8025. Bla_20
    8026. 

  8026. 

  8027. >  <Cathepsin L nM>
    8028. 

  8028. 344
    8029. 

  8029. 

  8030. >  <Cathepsin B nM>
    8031. 

  8031. 7392
    8032. 

  8032. 

  8033. > <FP:MACCS>
    8034. 

  8034. 41 42 54 62 74 79 82 90 91 92 95 100 104 106 107 110 111 112 115 117 125 128 131 134 142 145 149 151 153 154 155 156 158 160 161 162 163 164 165
    8035. 

  8035. 

  8036. $$$$
    8037. 

  8037. Gau_19
    8038. 

  8038.   MOE2005           2D
    8039. 

  8039. 

  8040.  51 53  0  0  1  0  0  0  0  0999 V2000
    8041. 

  8041.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8042. 

  8042.     2.2390    1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8043. 

  8043.     0.7390    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8044. 

  8044.     0.7610   -1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8045. 

  8045.     2.2610   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8046. 

  8046.     3.0000    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8047. 

  8047.     4.5000    0.0380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8048. 

  8048.     5.2610   -1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8049. 

  8049.     6.5530   -0.4940    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8050. 

  8050.     6.0220   -2.5480    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8051. 

  8051.     3.9680   -2.0160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8052. 

  8052.     5.2390    1.3430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8053. 

  8053.     6.7390    1.3560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8054. 

  8054.     7.4780    2.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8055. 

  8055.     8.9780    2.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8056. 

  8056.     6.7170    3.9540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8057. 

  8057.     8.3590    6.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8058. 

  8058.     8.9450    5.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8059. 

  8059.    -1.5000   -0.0130    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8060. 

  8060.     7.4560    5.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8061. 

  8061.     6.0040    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8062. 

  8062.     4.5520    6.0110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8063. 

  8063.     7.5000    0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8064. 

  8064.     8.9870    1.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8065. 

  8065.     9.0120   -1.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8066. 

  8066.     9.0000    0.0760    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8067. 

  8067.    10.5000    0.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8068. 

  8068.    12.7390    1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8069. 

  8069.    11.2390    1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8070. 

  8070.    11.2600   -1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8071. 

  8071.    12.7600   -1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8072. 

  8072.    13.5000    0.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8073. 

  8073.    15.0000    0.1260    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8074. 

  8074.     2.8300    2.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8075. 

  8075.     0.1300    2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8076. 

  8076.     0.1700   -2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8077. 

  8077.     2.8700   -2.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8078. 

  8078.     3.9000    1.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8079. 

  8079.     4.6300    2.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8080. 

  8080.     6.1390    2.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8081. 

  8081.     5.5170    3.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8082. 

  8082.     9.3660    7.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8083. 

  8083.     7.5410    7.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8084. 

  8084.    10.1140    5.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8085. 

  8085.     9.0070    3.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8086. 

  8086.     6.9380   -0.1470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8087. 

  8087.     7.7180   -1.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8088. 

  8088.    13.3300    2.4500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8089. 

  8089.    10.6300    2.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8090. 

  8090.    10.6690   -2.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8091. 

  8091.    13.3690   -2.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8092. 

  8092.   1 19  1  0  0  0  0
    8093. 

  8093.   1  4  2  0  0  0  0
    8094. 

  8094.   1  3  1  0  0  0  0
    8095. 

  8095.   2  6  1  0  0  0  0
    8096. 

  8096.   2 34  1  0  0  0  0
    8097. 

  8097.   2  3  2  0  0  0  0
    8098. 

  8098.   3 35  1  0  0  0  0
    8099. 

  8099.   4  5  1  0  0  0  0
    8100. 

  8100.   4 36  1  0  0  0  0
    8101. 

  8101.   5  6  2  0  0  0  0
    8102. 

  8102.   5 37  1  0  0  0  0
    8103. 

  8103.   6  7  1  0  0  0  0
    8104. 

  8104.   7 12  1  6  0  0  0
    8105. 

  8105.   7  8  1  0  0  0  0
    8106. 

  8106.   7 38  1  1  0  0  0
    8107. 

  8107.   8 10  1  0  0  0  0
    8108. 

  8108.   8  9  1  0  0  0  0
    8109. 

  8109.   8 11  1  0  0  0  0
    8110. 

  8110.  12 13  1  0  0  0  0
    8111. 

  8111.  12 39  1  0  0  0  0
    8112. 

  8112.  13 23  1  6  0  0  0
    8113. 

  8113.  13 14  1  0  0  0  0
    8114. 

  8114.  13 40  1  1  0  0  0
    8115. 

  8115.  14 15  2  0  0  0  0
    8116. 

  8116.  14 16  1  0  0  0  0
    8117. 

  8117.  16 20  1  0  0  0  0
    8118. 

  8118.  16 41  1  0  0  0  0
    8119. 

  8119.  17 20  1  0  0  0  0
    8120. 

  8120.  17 42  1  0  0  0  0
    8121. 

  8121.  17 43  1  0  0  0  0
    8122. 

  8122.  17 18  1  0  0  0  0
    8123. 

  8123.  18 20  1  0  0  0  0
    8124. 

  8124.  18 44  1  0  0  0  0
    8125. 

  8125.  18 45  1  0  0  0  0
    8126. 

  8126.  20 21  1  0  0  0  0
    8127. 

  8127.  21 22  3  0  0  0  0
    8128. 

  8128.  23 46  1  0  0  0  0
    8129. 

  8129.  23 26  1  0  0  0  0
    8130. 

  8130.  23 47  1  0  0  0  0
    8131. 

  8131.  24 26  2  0  0  0  0
    8132. 

  8132.  25 26  2  0  0  0  0
    8133. 

  8133.  26 27  1  0  0  0  0
    8134. 

  8134.  27 29  1  0  0  0  0
    8135. 

  8135.  27 30  2  0  0  0  0
    8136. 

  8136.  28 29  2  0  0  0  0
    8137. 

  8137.  28 32  1  0  0  0  0
    8138. 

  8138.  28 48  1  0  0  0  0
    8139. 

  8139.  29 49  1  0  0  0  0
    8140. 

  8140.  30 50  1  0  0  0  0
    8141. 

  8141.  30 31  1  0  0  0  0
    8142. 

  8142.  31 32  2  0  0  0  0
    8143. 

  8143.  31 51  1  0  0  0  0
    8144. 

  8144.  32 33  1  0  0  0  0
    8145. 

  8145. M  END
    8146. 

  8146. >  <ID>
    8147. 

  8147. Gau_19
    8148. 

  8148. 

  8149. >  <Cathepsin L nM>
    8150. 

  8150. 22
    8151. 

  8151. 

  8152. >  <Cathepsin B nM>
    8153. 

  8153. 7280
    8154. 

  8154. 

  8155. > <FP:MACCS>
    8156. 

  8156. 22 41 42 51 54 55 58 59 60 61 64 66 67 73 79 81 87 88 90 92 95 97 102 104 106 107 110 111 112 117 124 125 130 131 132 133 134 136 142 145 146 147 148 151 153 154 155 156 158 159 161 162 163 164 165
    8157. 

  8157. 

  8158. $$$$
    8159. 

  8159. Bla_24
    8160. 

  8160.   MOE2005           2D
    8161. 

  8161. 

  8162.  59 60  0  0  1  0  0  0  0  0999 V2000
    8163. 

  8163.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8164. 

  8164.    -0.7610    1.2930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8165. 

  8165.    -0.7390   -1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8166. 

  8166.    -1.4780   -2.6110    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8167. 

  8167.    -2.0440   -0.5660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8168. 

  8168.     0.5660   -2.0440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8169. 

  8169.    -2.2610    1.2800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8170. 

  8170.    -3.0220    2.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8171. 

  8171.    -4.5220    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8172. 

  8172.    -2.2830    3.8780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8173. 

  8173.    -3.0440    5.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8174. 

  8174.    -2.3050    6.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8175. 

  8175.    -1.5660    7.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8176. 

  8176.    -3.0000   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8177. 

  8177.    -4.5000   -0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8178. 

  8178.    -5.2390   -1.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8179. 

  8179.    -5.2610    1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8180. 

  8180.     1.5000    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8181. 

  8181.     2.2390    1.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8182. 

  8182.     3.7390    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8183. 

  8183.     4.5000    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8184. 

  8184.     3.7610   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8185. 

  8185.     2.2610   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8186. 

  8186.     6.0000    0.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8187. 

  8187.     6.7610   -1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8188. 

  8188.     8.2610   -1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8189. 

  8189.     9.0000    0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8190. 

  8190.     8.2390    1.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8191. 

  8191.     6.7390    1.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8192. 

  8192.     9.7820   -3.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8193. 

  8193.     9.0220   -2.5220    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8194. 

  8194.    10.3140   -1.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8195. 

  8195.     7.7290   -3.2830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8196. 

  8196.     0.6000    1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8197. 

  8197.    -0.1700    2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8198. 

  8198.    -1.6610    2.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8199. 

  8199.    -1.0830    3.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8200. 

  8200.    -3.9560    4.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8201. 

  8201.    -3.9690    5.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8202. 

  8202.    -2.4340   -0.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8203. 

  8203.    -3.1980   -1.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8204. 

  8204.    -5.7000   -0.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8205. 

  8205.    -6.2830   -0.7520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8206. 

  8206.    -5.8300   -2.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8207. 

  8207.    -4.1950   -1.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8208. 

  8208.    -4.2270    1.8640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8209. 

  8209.    -5.8700    2.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8210. 

  8210.    -6.2950    0.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8211. 

  8211.     1.6300    2.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8212. 

  8212.     4.3300    2.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8213. 

  8213.     4.3700   -2.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8214. 

  8214.     1.6700   -2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8215. 

  8215.     6.1700   -2.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8216. 

  8216.    10.2000    0.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8217. 

  8217.     8.8300    2.4130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8218. 

  8218.     6.1300    2.3900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8219. 

  8219.     8.7480   -4.4240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8220. 

  8220.    10.3910   -4.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8221. 

  8221.    10.8170   -3.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8222. 

  8222.   1 34  1  6  0  0  0
    8223. 

  8223.   1 18  1  0  0  0  0
    8224. 

  8224.   1  3  1  1  0  0  0
    8225. 

  8225.   1  2  1  0  0  0  0
    8226. 

  8226.   2  7  1  0  0  0  0
    8227. 

  8227.   2 35  1  0  0  0  0
    8228. 

  8228.   3  5  1  0  0  0  0
    8229. 

  8229.   3  4  1  0  0  0  0
    8230. 

  8230.   3  6  1  0  0  0  0
    8231. 

  8231.   7 14  1  1  0  0  0
    8232. 

  8232.   7  8  1  0  0  0  0
    8233. 

  8233.   7 36  1  6  0  0  0
    8234. 

  8234.   8  9  2  0  0  0  0
    8235. 

  8235.   8 10  1  0  0  0  0
    8236. 

  8236.  10 11  1  0  0  0  0
    8237. 

  8237.  10 37  1  0  0  0  0
    8238. 

  8238.  11 38  1  0  0  0  0
    8239. 

  8239.  11 12  1  0  0  0  0
    8240. 

  8240.  11 39  1  0  0  0  0
    8241. 

  8241.  12 13  3  0  0  0  0
    8242. 

  8242.  14 40  1  0  0  0  0
    8243. 

  8243.  14 15  1  0  0  0  0
    8244. 

  8244.  14 41  1  0  0  0  0
    8245. 

  8245.  15 17  1  0  0  0  0
    8246. 

  8246.  15 16  1  0  0  0  0
    8247. 

  8247.  15 42  1  0  0  0  0
    8248. 

  8248.  16 44  1  0  0  0  0
    8249. 

  8249.  16 43  1  0  0  0  0
    8250. 

  8250.  16 45  1  0  0  0  0
    8251. 

  8251.  17 47  1  0  0  0  0
    8252. 

  8252.  17 46  1  0  0  0  0
    8253. 

  8253.  17 48  1  0  0  0  0
    8254. 

  8254.  18 19  1  0  0  0  0
    8255. 

  8255.  18 23  2  0  0  0  0
    8256. 

  8256.  19 20  2  0  0  0  0
    8257. 

  8257.  19 49  1  0  0  0  0
    8258. 

  8258.  20 21  1  0  0  0  0
    8259. 

  8259.  20 50  1  0  0  0  0
    8260. 

  8260.  21 22  2  0  0  0  0
    8261. 

  8261.  21 24  1  0  0  0  0
    8262. 

  8262.  22 51  1  0  0  0  0
    8263. 

  8263.  22 23  1  0  0  0  0
    8264. 

  8264.  23 52  1  0  0  0  0
    8265. 

  8265.  24 25  1  0  0  0  0
    8266. 

  8266.  24 29  2  0  0  0  0
    8267. 

  8267.  25 26  2  0  0  0  0
    8268. 

  8268.  25 53  1  0  0  0  0
    8269. 

  8269.  26 27  1  0  0  0  0
    8270. 

  8270.  26 31  1  0  0  0  0
    8271. 

  8271.  27 28  2  0  0  0  0
    8272. 

  8272.  27 54  1  0  0  0  0
    8273. 

  8273.  28 55  1  0  0  0  0
    8274. 

  8274.  28 29  1  0  0  0  0
    8275. 

  8275.  29 56  1  0  0  0  0
    8276. 

  8276.  30 31  1  0  0  0  0
    8277. 

  8277.  30 58  1  0  0  0  0
    8278. 

  8278.  30 57  1  0  0  0  0
    8279. 

  8279.  30 59  1  0  0  0  0
    8280. 

  8280.  31 32  2  0  0  0  0
    8281. 

  8281.  31 33  2  0  0  0  0
    8282. 

  8282. M  END
    8283. 

  8283. >  <ID>
    8284. 

  8284. Bla_24
    8285. 

  8285. 

  8286. >  <Cathepsin L nM>
    8287. 

  8287. 1480
    8288. 

  8288. 

  8289. >  <Cathepsin B nM>
    8290. 

  8290. 6984
    8291. 

  8291. 

  8292. > <FP:MACCS>
    8293. 

  8293. 41 42 51 54 55 58 59 60 61 62 64 67 73 74 79 81 82 88 90 91 92 93 95 100 102 104 106 107 110 111 112 115 117 124 125 128 130 131 134 136 141 142 145 146 148 149 151 153 154 155 156 158 159 160 161 162 163 164 165
    8294. 

  8294. 

  8295. $$$$
    8296. 

  8296. Gau_21
    8297. 

  8297.   MOE2005           2D
    8298. 

  8298. 

  8299.  51 53  0  0  1  0  0  0  0  0999 V2000
    8300. 

  8300.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8301. 

  8301.     2.2420   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8302. 

  8302.     0.7420   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8303. 

  8303.     0.7580    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8304. 

  8304.     2.2580    1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8305. 

  8305.     3.0000   -0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8306. 

  8306.     4.5000   -0.0290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8307. 

  8307.     5.2420   -1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8308. 

  8308.     5.9830   -2.6370    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8309. 

  8309.     3.9380   -2.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8310. 

  8310.     6.5450   -0.5910    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8311. 

  8311.     5.2580    1.2650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8312. 

  8312.     6.7580    1.2550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8313. 

  8313.     7.5170    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8314. 

  8314.     9.0170    2.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8315. 

  8315.     6.7750    3.8530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8316. 

  8316.     8.4540    6.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8317. 

  8317.     9.0190    4.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8318. 

  8318.     7.5340    5.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8319. 

  8319.     6.0870    5.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8320. 

  8320.     4.6410    5.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8321. 

  8321.     7.5000   -0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8322. 

  8322.     8.9900   -1.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8323. 

  8323.     9.0100    1.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8324. 

  8324.     9.0000   -0.0580    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8325. 

  8325.    10.5000   -0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8326. 

  8326.    12.7410   -1.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8327. 

  8327.    11.2410   -1.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8328. 

  8328.    11.2580    1.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8329. 

  8329.    12.7580    1.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8330. 

  8330.    13.5000   -0.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8331. 

  8331.    13.4830   -2.6850    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8332. 

  8332.    -1.2000    0.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8333. 

  8333.     2.8350   -2.3570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8334. 

  8334.     0.1350   -2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8335. 

  8335.     0.1650    2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8336. 

  8336.     2.8650    2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8337. 

  8337.     3.9000    1.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8338. 

  8338.     4.6650    2.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8339. 

  8339.     6.1580    2.2950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8340. 

  8340.     5.5750    3.8610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8341. 

  8341.     9.4700    6.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8342. 

  8342.     7.6490    7.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8343. 

  8343.    10.1930    5.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8344. 

  8344.     9.0640    3.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8345. 

  8345.     6.9350   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8346. 

  8346.     7.7010   -1.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8347. 

  8347.    10.6350   -2.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8348. 

  8348.    10.6650    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8349. 

  8349.    13.3650    2.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8350. 

  8350.    14.7000   -0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8351. 

  8351.   1 33  1  0  0  0  0
    8352. 

  8352.   1  4  2  0  0  0  0
    8353. 

  8353.   1  3  1  0  0  0  0
    8354. 

  8354.   2  6  1  0  0  0  0
    8355. 

  8355.   2 34  1  0  0  0  0
    8356. 

  8356.   2  3  2  0  0  0  0
    8357. 

  8357.   3 35  1  0  0  0  0
    8358. 

  8358.   4  5  1  0  0  0  0
    8359. 

  8359.   4 36  1  0  0  0  0
    8360. 

  8360.   5  6  2  0  0  0  0
    8361. 

  8361.   5 37  1  0  0  0  0
    8362. 

  8362.   6  7  1  0  0  0  0
    8363. 

  8363.   7 12  1  0  0  0  0
    8364. 

  8364.   7  8  1  6  0  0  0
    8365. 

  8365.   7 38  1  1  0  0  0
    8366. 

  8366.   8 10  1  0  0  0  0
    8367. 

  8367.   8  9  1  0  0  0  0
    8368. 

  8368.   8 11  1  0  0  0  0
    8369. 

  8369.  12 13  1  0  0  0  0
    8370. 

  8370.  12 39  1  0  0  0  0
    8371. 

  8371.  13 22  1  6  0  0  0
    8372. 

  8372.  13 14  1  0  0  0  0
    8373. 

  8373.  13 40  1  1  0  0  0
    8374. 

  8374.  14 15  2  0  0  0  0
    8375. 

  8375.  14 16  1  0  0  0  0
    8376. 

  8376.  16 19  1  0  0  0  0
    8377. 

  8377.  16 41  1  0  0  0  0
    8378. 

  8378.  17 19  1  0  0  0  0
    8379. 

  8379.  17 42  1  0  0  0  0
    8380. 

  8380.  17 43  1  0  0  0  0
    8381. 

  8381.  17 18  1  0  0  0  0
    8382. 

  8382.  18 19  1  0  0  0  0
    8383. 

  8383.  18 44  1  0  0  0  0
    8384. 

  8384.  18 45  1  0  0  0  0
    8385. 

  8385.  19 20  1  0  0  0  0
    8386. 

  8386.  20 21  3  0  0  0  0
    8387. 

  8387.  22 46  1  0  0  0  0
    8388. 

  8388.  22 25  1  0  0  0  0
    8389. 

  8389.  22 47  1  0  0  0  0
    8390. 

  8390.  23 25  2  0  0  0  0
    8391. 

  8391.  24 25  2  0  0  0  0
    8392. 

  8392.  25 26  1  0  0  0  0
    8393. 

  8393.  26 28  1  0  0  0  0
    8394. 

  8394.  26 29  2  0  0  0  0
    8395. 

  8395.  27 28  2  0  0  0  0
    8396. 

  8396.  27 31  1  0  0  0  0
    8397. 

  8397.  27 32  1  0  0  0  0
    8398. 

  8398.  28 48  1  0  0  0  0
    8399. 

  8399.  29 49  1  0  0  0  0
    8400. 

  8400.  29 30  1  0  0  0  0
    8401. 

  8401.  30 31  2  0  0  0  0
    8402. 

  8402.  30 50  1  0  0  0  0
    8403. 

  8403.  31 51  1  0  0  0  0
    8404. 

  8404. M  END
    8405. 

  8405. >  <ID>
    8406. 

  8406. Gau_21
    8407. 

  8407. 

  8408. >  <Cathepsin L nM>
    8409. 

  8409. 23
    8410. 

  8410. 

  8411. >  <Cathepsin B nM>
    8412. 

  8412. 6629
    8413. 

  8413. 

  8414. > <FP:MACCS>
    8415. 

  8415. 22 41 42 46 51 54 55 58 59 60 61 64 66 67 73 79 81 87 88 90 92 95 97 102 104 106 107 110 111 112 117 124 125 130 131 132 133 134 136 142 145 146 147 148 151 153 154 155 156 158 159 161 162 163 164 165
    8416. 

  8416. 

  8417. $$$$
    8418. 

  8418. Rob_13
    8419. 

  8419.   MOE2005           2D
    8420. 

  8420. 

  8421.  72 74  0  0  1  0  0  0  0  0999 V2000
    8422. 

  8422.     0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8423. 

  8423.     0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8424. 

  8424.    -2.5990   -1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8425. 

  8425.    -1.3000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8426. 

  8426.    -1.3000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8427. 

  8427.    -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8428. 

  8428.    -1.2980    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8429. 

  8429.    -2.5980    0.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8430. 

  8430.    -2.5970    3.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8431. 

  8431.    -2.5970    4.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8432. 

  8432.    -2.5960    6.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8433. 

  8433.     1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8434. 

  8434.     2.5980   -0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8435. 

  8435.     3.8970    0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8436. 

  8436.     3.8980    2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8437. 

  8437.     2.5990    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8438. 

  8438.     1.3000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8439. 

  8439.     5.1960   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8440. 

  8440.     6.4940   -2.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8441. 

  8441.     5.1960   -1.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8442. 

  8442.     6.4950    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8443. 

  8443.     7.7940   -1.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8444. 

  8444.     7.7940   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8445. 

  8445.    11.6910   -2.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8446. 

  8446.    10.3910   -4.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8447. 

  8447.     9.0920   -3.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8448. 

  8448.    10.3920   -1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8449. 

  8449.     9.0920   -2.2530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8450. 

  8450.    11.6900   -3.7540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8451. 

  8451.    12.9890   -4.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8452. 

  8452.    15.0380   -5.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8453. 

  8453.    14.2880   -3.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8454. 

  8454.    15.5880   -3.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8455. 

  8455.    13.5390   -2.4550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8456. 

  8456.     1.0390   -0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8457. 

  8457.     1.1810   -1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8458. 

  8458.     0.4100   -2.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8459. 

  8459.    -1.9980   -0.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8460. 

  8460.    -3.6380   -0.8990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8461. 

  8461.    -3.1990   -2.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8462. 

  8462.    -2.3390   -2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8463. 

  8463.    -2.5000   -3.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8464. 

  8464.    -1.3010   -4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8465. 

  8465.    -0.1000   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8466. 

  8466.    -0.2590    2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8467. 

  8467.    -3.0080    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8468. 

  8468.    -3.7790    3.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8469. 

  8469.     2.5980   -1.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8470. 

  8470.     4.9370    2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8471. 

  8471.     2.5990    4.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8472. 

  8472.     0.2610    2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8473. 

  8473.     6.4940   -3.4520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8474. 

  8474.     4.1560   -2.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8475. 

  8475.     6.4960    1.9480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8476. 

  8476.     8.8340    0.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8477. 

  8477.    12.1010   -1.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8478. 

  8478.    12.8720   -2.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8479. 

  8479.     9.6190   -5.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8480. 

  8480.    11.1620   -5.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8481. 

  8481.     8.6810   -4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8482. 

  8482.     7.9100   -3.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8483. 

  8483.    11.1640   -0.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8484. 

  8484.     9.6210   -0.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8485. 

  8485.    12.2170   -5.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8486. 

  8486.    13.3740   -4.9640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8487. 

  8487.    14.5180   -5.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8488. 

  8488.    15.6370   -6.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8489. 

  8489.    15.5580   -4.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8490. 

  8490.    15.8870   -3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8491. 

  8491.    16.6270   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8492. 

  8492.    14.9880   -1.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8493. 

  8493.    14.1390   -1.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8494. 

  8494.   1 35  1  6  0  0  0
    8495. 

  8495.   1 12  1  0  0  0  0
    8496. 

  8496.   1  6  1  0  0  0  0
    8497. 

  8497.   1  2  1  1  0  0  0
    8498. 

  8498.   2 36  1  0  0  0  0
    8499. 

  8499.   2  4  1  0  0  0  0
    8500. 

  8500.   2 37  1  0  0  0  0
    8501. 

  8501.   3  4  1  0  0  0  0
    8502. 

  8502.   3 39  1  0  0  0  0
    8503. 

  8503.   3 38  1  0  0  0  0
    8504. 

  8504.   3 40  1  0  0  0  0
    8505. 

  8505.   4  5  1  0  0  0  0
    8506. 

  8506.   4 41  1  0  0  0  0
    8507. 

  8507.   5 43  1  0  0  0  0
    8508. 

  8508.   5 42  1  0  0  0  0
    8509. 

  8509.   5 44  1  0  0  0  0
    8510. 

  8510.   6  7  1  0  0  0  0
    8511. 

  8511.   6  8  2  0  0  0  0
    8512. 

  8512.   7  9  1  0  0  0  0
    8513. 

  8513.   7 45  1  0  0  0  0
    8514. 

  8514.   9 46  1  0  0  0  0
    8515. 

  8515.   9 10  1  0  0  0  0
    8516. 

  8516.   9 47  1  0  0  0  0
    8517. 

  8517.  10 11  3  0  0  0  0
    8518. 

  8518.  12 13  1  0  0  0  0
    8519. 

  8519.  12 17  2  0  0  0  0
    8520. 

  8520.  13 14  2  0  0  0  0
    8521. 

  8521.  13 48  1  0  0  0  0
    8522. 

  8522.  14 15  1  0  0  0  0
    8523. 

  8523.  14 18  1  0  0  0  0
    8524. 

  8524.  15 16  2  0  0  0  0
    8525. 

  8525.  15 49  1  0  0  0  0
    8526. 

  8526.  16 50  1  0  0  0  0
    8527. 

  8527.  16 17  1  0  0  0  0
    8528. 

  8528.  17 51  1  0  0  0  0
    8529. 

  8529.  18 20  2  0  0  0  0
    8530. 

  8530.  18 21  1  0  0  0  0
    8531. 

  8531.  19 20  1  0  0  0  0
    8532. 

  8532.  19 22  2  0  0  0  0
    8533. 

  8533.  19 52  1  0  0  0  0
    8534. 

  8534.  20 53  1  0  0  0  0
    8535. 

  8535.  21 54  1  0  0  0  0
    8536. 

  8536.  21 23  2  0  0  0  0
    8537. 

  8537.  22 23  1  0  0  0  0
    8538. 

  8538.  22 28  1  0  0  0  0
    8539. 

  8539.  23 55  1  0  0  0  0
    8540. 

  8540.  24 29  1  0  0  0  0
    8541. 

  8541.  24 56  1  0  0  0  0
    8542. 

  8542.  24 57  1  0  0  0  0
    8543. 

  8543.  24 27  1  0  0  0  0
    8544. 

  8544.  25 26  1  0  0  0  0
    8545. 

  8545.  25 58  1  0  0  0  0
    8546. 

  8546.  25 29  1  0  0  0  0
    8547. 

  8547.  25 59  1  0  0  0  0
    8548. 

  8548.  26 28  1  0  0  0  0
    8549. 

  8549.  26 60  1  0  0  0  0
    8550. 

  8550.  26 61  1  0  0  0  0
    8551. 

  8551.  27 28  1  0  0  0  0
    8552. 

  8552.  27 62  1  0  0  0  0
    8553. 

  8553.  27 63  1  0  0  0  0
    8554. 

  8554.  29 30  1  0  0  0  0
    8555. 

  8555.  30 64  1  0  0  0  0
    8556. 

  8556.  30 32  1  0  0  0  0
    8557. 

  8557.  30 65  1  0  0  0  0
    8558. 

  8558.  31 32  1  0  0  0  0
    8559. 

  8559.  31 67  1  0  0  0  0
    8560. 

  8560.  31 66  1  0  0  0  0
    8561. 

  8561.  31 68  1  0  0  0  0
    8562. 

  8562.  32 33  1  0  0  0  0
    8563. 

  8563.  32 34  1  0  0  0  0
    8564. 

  8564.  33 70  1  0  0  0  0
    8565. 

  8565.  33 69  1  0  0  0  0
    8566. 

  8566.  33 71  1  0  0  0  0
    8567. 

  8567.  34 72  1  0  0  0  0
    8568. 

  8568. M  END
    8569. 

  8569. >  <ID>
    8570. 

  8570. Rob_13
    8571. 

  8571. 

  8572. >  <Cathepsin L nM>
    8573. 

  8573. 9546
    8574. 

  8574. 

  8575. >  <Cathepsin B nM>
    8576. 

  8576. 6369
    8577. 

  8577. 

  8578. > <FP:MACCS>
    8579. 

  8579. 41 62 66 74 75 79 82 85 86 90 91 92 95 98 100 104 108 110 111 112 115 117 118 120 121 122 125 128 129 131 132 133 135 137 138 139 141 142 145 147 148 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    8580. 

  8580. 

  8581. $$$$
    8582. 

  8582. Bla_13
    8583. 

  8583.   MOE2005           2D
    8584. 

  8584. 

  8585.  53 54  0  0  1  0  0  0  0  0999 V2000
    8586. 

  8586.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8587. 

  8587.    -0.7600   -1.2930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8588. 

  8588.    -0.7400    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8589. 

  8589.    -1.4790    2.6100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8590. 

  8590.    -2.0450    0.5650    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8591. 

  8591.     0.5650    2.0450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8592. 

  8592.    -2.2600   -1.2810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8593. 

  8593.    -3.0200   -2.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8594. 

  8594.    -4.5200   -2.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8595. 

  8595.    -2.2810   -3.8790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8596. 

  8596.    -3.0410   -5.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8597. 

  8597.    -2.3010   -6.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8598. 

  8598.    -1.5620   -7.7820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8599. 

  8599.    -3.0000    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8600. 

  8600.    -4.5000    0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8601. 

  8601.    -5.2400    1.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8602. 

  8602.    -5.2600   -1.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8603. 

  8603.     1.5000   -0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8604. 

  8604.     2.2400   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8605. 

  8605.     3.7400   -1.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8606. 

  8606.     4.5000   -0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8607. 

  8607.     3.7600    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8608. 

  8608.     2.2600    1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8609. 

  8609.     6.0000   -0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8610. 

  8610.     6.7600    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8611. 

  8611.     8.2600    1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8612. 

  8612.     9.0000   -0.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8613. 

  8613.     8.2390   -1.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8614. 

  8614.     6.7400   -1.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8615. 

  8615.     6.0200    2.5500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8616. 

  8616.     0.6000   -1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8617. 

  8617.    -0.1680   -2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8618. 

  8618.    -1.6600   -2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8619. 

  8619.    -1.0810   -3.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8620. 

  8620.    -3.9540   -4.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8621. 

  8621.    -3.9660   -5.9360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8622. 

  8622.    -2.4340    0.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8623. 

  8623.    -3.1990    1.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8624. 

  8624.    -5.7000    0.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8625. 

  8625.    -4.1960    1.9320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8626. 

  8626.    -5.8310    2.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8627. 

  8627.    -6.2840    0.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8628. 

  8628.    -6.2950   -0.6490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8629. 

  8629.    -5.8680   -2.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8630. 

  8630.    -4.2260   -1.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8631. 

  8631.     1.6310   -2.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8632. 

  8632.     4.3310   -2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8633. 

  8633.     4.3680    2.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8634. 

  8634.     1.6680    2.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8635. 

  8635.     8.8680    2.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8636. 

  8636.    10.2000   -0.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8637. 

  8637.     8.8310   -2.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8638. 

  8638.     6.1310   -2.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8639. 

  8639.   1 31  1  1  0  0  0
    8640. 

  8640.   1 18  1  0  0  0  0
    8641. 

  8641.   1  3  1  6  0  0  0
    8642. 

  8642.   1  2  1  0  0  0  0
    8643. 

  8643.   2  7  1  0  0  0  0
    8644. 

  8644.   2 32  1  0  0  0  0
    8645. 

  8645.   3  5  1  0  0  0  0
    8646. 

  8646.   3  4  1  0  0  0  0
    8647. 

  8647.   3  6  1  0  0  0  0
    8648. 

  8648.   7 14  1  6  0  0  0
    8649. 

  8649.   7  8  1  0  0  0  0
    8650. 

  8650.   7 33  1  1  0  0  0
    8651. 

  8651.   8  9  2  0  0  0  0
    8652. 

  8652.   8 10  1  0  0  0  0
    8653. 

  8653.  10 11  1  0  0  0  0
    8654. 

  8654.  10 34  1  0  0  0  0
    8655. 

  8655.  11 35  1  0  0  0  0
    8656. 

  8656.  11 12  1  0  0  0  0
    8657. 

  8657.  11 36  1  0  0  0  0
    8658. 

  8658.  12 13  3  0  0  0  0
    8659. 

  8659.  14 37  1  0  0  0  0
    8660. 

  8660.  14 15  1  0  0  0  0
    8661. 

  8661.  14 38  1  0  0  0  0
    8662. 

  8662.  15 17  1  0  0  0  0
    8663. 

  8663.  15 16  1  0  0  0  0
    8664. 

  8664.  15 39  1  0  0  0  0
    8665. 

  8665.  16 41  1  0  0  0  0
    8666. 

  8666.  16 40  1  0  0  0  0
    8667. 

  8667.  16 42  1  0  0  0  0
    8668. 

  8668.  17 44  1  0  0  0  0
    8669. 

  8669.  17 43  1  0  0  0  0
    8670. 

  8670.  17 45  1  0  0  0  0
    8671. 

  8671.  18 19  1  0  0  0  0
    8672. 

  8672.  18 23  2  0  0  0  0
    8673. 

  8673.  19 20  2  0  0  0  0
    8674. 

  8674.  19 46  1  0  0  0  0
    8675. 

  8675.  20 21  1  0  0  0  0
    8676. 

  8676.  20 47  1  0  0  0  0
    8677. 

  8677.  21 22  2  0  0  0  0
    8678. 

  8678.  21 24  1  0  0  0  0
    8679. 

  8679.  22 48  1  0  0  0  0
    8680. 

  8680.  22 23  1  0  0  0  0
    8681. 

  8681.  23 49  1  0  0  0  0
    8682. 

  8682.  24 25  1  0  0  0  0
    8683. 

  8683.  24 29  2  0  0  0  0
    8684. 

  8684.  25 26  2  0  0  0  0
    8685. 

  8685.  25 30  1  0  0  0  0
    8686. 

  8686.  26 27  1  0  0  0  0
    8687. 

  8687.  26 50  1  0  0  0  0
    8688. 

  8688.  27 28  2  0  0  0  0
    8689. 

  8689.  27 51  1  0  0  0  0
    8690. 

  8690.  28 52  1  0  0  0  0
    8691. 

  8691.  28 29  1  0  0  0  0
    8692. 

  8692.  29 53  1  0  0  0  0
    8693. 

  8693. M  END
    8694. 

  8694. >  <ID>
    8695. 

  8695. Bla_13
    8696. 

  8696. 

  8697. >  <Cathepsin L nM>
    8698. 

  8698. 1670
    8699. 

  8699. 

  8700. >  <Cathepsin B nM>
    8701. 

  8701. 6086
    8702. 

  8702. 

  8703. > <FP:MACCS>
    8704. 

  8704. 41 42 54 62 74 79 82 87 90 91 92 95 100 104 106 107 110 111 112 115 117 125 128 131 134 142 144 145 149 150 151 153 154 155 156 158 160 161 162 163 164 165
    8705. 

  8705. 

  8706. $$$$
    8707. 

  8707. Bla_15
    8708. 

  8708.   MOE2005           2D
    8709. 

  8709. 

  8710.  53 54  0  0  1  0  0  0  0  0999 V2000
    8711. 

  8711.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8712. 

  8712.    -0.7580   -1.2940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8713. 

  8713.    -0.7420    1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8714. 

  8714.    -1.4840    2.6080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8715. 

  8715.    -2.0460    0.5620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8716. 

  8716.     0.5620    2.0460    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8717. 

  8717.    -2.2580   -1.2850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8718. 

  8718.    -3.0160   -2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8719. 

  8719.    -4.5160   -2.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8720. 

  8720.    -2.2750   -3.8830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8721. 

  8721.    -3.0330   -5.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8722. 

  8722.    -2.2910   -6.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8723. 

  8723.    -1.5490   -7.7850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8724. 

  8724.    -3.0000    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8725. 

  8725.    -4.5000    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8726. 

  8726.    -5.2420    1.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8727. 

  8727.    -5.2580   -1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8728. 

  8728.     1.5000   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8729. 

  8729.     2.2420   -1.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8730. 

  8730.     3.7420   -1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8731. 

  8731.     4.5000   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8732. 

  8732.     3.7580    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8733. 

  8733.     2.2580    1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8734. 

  8734.     6.0000   -0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8735. 

  8735.     6.7580    1.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8736. 

  8736.     8.2580    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8737. 

  8737.     9.0000   -0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8738. 

  8738.     8.2420   -1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8739. 

  8739.     6.7420   -1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8740. 

  8740.    10.5000   -0.0660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8741. 

  8741.     0.6000   -1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8742. 

  8742.    -0.1650   -2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8743. 

  8743.    -1.6580   -2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8744. 

  8744.    -1.0750   -3.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8745. 

  8745.    -3.9470   -4.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8746. 

  8746.    -3.9570   -5.9430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8747. 

  8747.    -2.4350    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8748. 

  8748.    -3.2010    1.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8749. 

  8749.    -5.7000    0.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8750. 

  8750.    -4.1990    1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8751. 

  8751.    -5.8350    2.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8752. 

  8752.    -6.2850    0.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8753. 

  8753.    -6.2940   -0.6590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8754. 

  8754.    -5.8650   -2.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8755. 

  8755.    -4.2230   -1.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8756. 

  8756.     1.6350   -2.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8757. 

  8757.     4.3350   -2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8758. 

  8758.     4.3650    2.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8759. 

  8759.     1.6650    2.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8760. 

  8760.     6.1650    2.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8761. 

  8761.     8.8650    2.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8762. 

  8762.     8.8350   -2.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8763. 

  8763.     6.1350   -2.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8764. 

  8764.   1 31  1  1  0  0  0
    8765. 

  8765.   1 18  1  0  0  0  0
    8766. 

  8766.   1  3  1  6  0  0  0
    8767. 

  8767.   1  2  1  0  0  0  0
    8768. 

  8768.   2  7  1  0  0  0  0
    8769. 

  8769.   2 32  1  0  0  0  0
    8770. 

  8770.   3  5  1  0  0  0  0
    8771. 

  8771.   3  4  1  0  0  0  0
    8772. 

  8772.   3  6  1  0  0  0  0
    8773. 

  8773.   7 14  1  6  0  0  0
    8774. 

  8774.   7  8  1  0  0  0  0
    8775. 

  8775.   7 33  1  1  0  0  0
    8776. 

  8776.   8  9  2  0  0  0  0
    8777. 

  8777.   8 10  1  0  0  0  0
    8778. 

  8778.  10 11  1  0  0  0  0
    8779. 

  8779.  10 34  1  0  0  0  0
    8780. 

  8780.  11 35  1  0  0  0  0
    8781. 

  8781.  11 12  1  0  0  0  0
    8782. 

  8782.  11 36  1  0  0  0  0
    8783. 

  8783.  12 13  3  0  0  0  0
    8784. 

  8784.  14 37  1  0  0  0  0
    8785. 

  8785.  14 15  1  0  0  0  0
    8786. 

  8786.  14 38  1  0  0  0  0
    8787. 

  8787.  15 17  1  0  0  0  0
    8788. 

  8788.  15 16  1  0  0  0  0
    8789. 

  8789.  15 39  1  0  0  0  0
    8790. 

  8790.  16 41  1  0  0  0  0
    8791. 

  8791.  16 40  1  0  0  0  0
    8792. 

  8792.  16 42  1  0  0  0  0
    8793. 

  8793.  17 44  1  0  0  0  0
    8794. 

  8794.  17 43  1  0  0  0  0
    8795. 

  8795.  17 45  1  0  0  0  0
    8796. 

  8796.  18 19  1  0  0  0  0
    8797. 

  8797.  18 23  2  0  0  0  0
    8798. 

  8798.  19 20  2  0  0  0  0
    8799. 

  8799.  19 46  1  0  0  0  0
    8800. 

  8800.  20 21  1  0  0  0  0
    8801. 

  8801.  20 47  1  0  0  0  0
    8802. 

  8802.  21 22  2  0  0  0  0
    8803. 

  8803.  21 24  1  0  0  0  0
    8804. 

  8804.  22 48  1  0  0  0  0
    8805. 

  8805.  22 23  1  0  0  0  0
    8806. 

  8806.  23 49  1  0  0  0  0
    8807. 

  8807.  24 25  1  0  0  0  0
    8808. 

  8808.  24 29  2  0  0  0  0
    8809. 

  8809.  25 26  2  0  0  0  0
    8810. 

  8810.  25 50  1  0  0  0  0
    8811. 

  8811.  26 27  1  0  0  0  0
    8812. 

  8812.  26 51  1  0  0  0  0
    8813. 

  8813.  27 28  2  0  0  0  0
    8814. 

  8814.  27 30  1  0  0  0  0
    8815. 

  8815.  28 52  1  0  0  0  0
    8816. 

  8816.  28 29  1  0  0  0  0
    8817. 

  8817.  29 53  1  0  0  0  0
    8818. 

  8818. M  END
    8819. 

  8819. >  <ID>
    8820. 

  8820. Bla_15
    8821. 

  8821. 

  8822. >  <Cathepsin L nM>
    8823. 

  8823. 887
    8824. 

  8824. 

  8825. >  <Cathepsin B nM>
    8826. 

  8826. 5939
    8827. 

  8827. 

  8828. > <FP:MACCS>
    8829. 

  8829. 41 42 54 62 74 79 82 87 90 91 92 95 100 104 106 107 110 111 112 115 117 125 128 131 134 142 145 149 151 153 154 155 156 158 160 161 162 163 164 165
    8830. 

  8830. 

  8831. $$$$
    8832. 

  8832. Rob28e
    8833. 

  8833.   MOE2005           2D
    8834. 

  8834. 

  8835.  65 67  0  0  1  0  0  0  0  0999 V2000
    8836. 

  8836.     0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8837. 

  8837.    -1.3040    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8838. 

  8838.    -1.3120    2.2420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8839. 

  8839.    -2.5980   -0.0160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8840. 

  8840.    -2.6160    2.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8841. 

  8841.    -2.6250    4.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8842. 

  8842.    -2.6340    5.9840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8843. 

  8843.     1.2940    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8844. 

  8844.     2.5980    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8845. 

  8845.     3.8930    0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8846. 

  8846.     3.8840    2.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8847. 

  8847.     2.5800    3.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8848. 

  8848.     1.2860    2.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8849. 

  8849.     5.1960    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8850. 

  8850.     6.5080   -2.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8851. 

  8851.     5.2050   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8852. 

  8852.     6.4910    0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8853. 

  8853.     7.8030   -1.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8854. 

  8854.     7.7940    0.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8855. 

  8855.    11.7050   -2.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8856. 

  8856.    10.4190   -4.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8857. 

  8857.     9.1160   -3.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8858. 

  8858.    10.4010   -1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8859. 

  8859.     9.1070   -2.1960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8860. 

  8860.    11.7140   -3.6800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8861. 

  8861.    13.0170   -4.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8862. 

  8862.     0.0090   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8863. 

  8863.    -2.5890   -1.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8864. 

  8864.    -1.2860   -2.2580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8865. 

  8865.    -1.2770   -3.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8866. 

  8866.    -2.5710   -4.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8867. 

  8867.     1.0390   -0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8868. 

  8868.    -0.2770    2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8869. 

  8869.    -3.0200    1.8540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8870. 

  8870.    -3.7990    3.1860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8871. 

  8871.     2.6050   -1.1840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8872. 

  8872.     4.9190    2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8873. 

  8873.     2.5730    4.2160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8874. 

  8874.     0.2430    2.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8875. 

  8875.     6.5160   -3.4110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8876. 

  8876.     4.1690   -2.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8877. 

  8877.     6.4830    1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8878. 

  8878.     8.8300    0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8879. 

  8879.    12.1080   -1.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8880. 

  8880.    12.8880   -2.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8881. 

  8881.     9.6530   -5.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8882. 

  8882.    11.1960   -5.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8883. 

  8883.     8.7120   -4.8260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8884. 

  8884.     7.9330   -3.4940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8885. 

  8885.    11.1670   -0.5140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8886. 

  8886.     9.6240   -0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8887. 

  8887.    12.4230   -5.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8888. 

  8888.    14.0600   -5.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8889. 

  8889.    13.6110   -3.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8890. 

  8890.     1.1900   -1.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8891. 

  8891.     0.4260   -2.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8892. 

  8892.    -1.9950   -0.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8893. 

  8893.    -3.6320   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8894. 

  8894.    -3.1830   -2.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8895. 

  8895.    -2.3250   -2.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8896. 

  8896.    -0.0960   -3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8897. 

  8897.    -0.8590   -4.8830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8898. 

  8898.    -3.1770   -3.4800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8899. 

  8899.    -3.6070   -5.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8900. 

  8900.    -1.9650   -5.5510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8901. 

  8901.   1 32  1  0  0  0  0
    8902. 

  8902.   1 27  1  0  0  0  0
    8903. 

  8903.   1  8  1  0  0  0  0
    8904. 

  8904.   1  2  1  0  0  0  0
    8905. 

  8905.   2  3  1  0  0  0  0
    8906. 

  8906.   2  4  2  0  0  0  0
    8907. 

  8907.   3  5  1  0  0  0  0
    8908. 

  8908.   3 33  1  0  0  0  0
    8909. 

  8909.   5 34  1  0  0  0  0
    8910. 

  8910.   5  6  1  0  0  0  0
    8911. 

  8911.   5 35  1  0  0  0  0
    8912. 

  8912.   6  7  3  0  0  0  0
    8913. 

  8913.   8  9  1  0  0  0  0
    8914. 

  8914.   8 13  2  0  0  0  0
    8915. 

  8915.   9 10  2  0  0  0  0
    8916. 

  8916.   9 36  1  0  0  0  0
    8917. 

  8917.  10 11  1  0  0  0  0
    8918. 

  8918.  10 14  1  0  0  0  0
    8919. 

  8919.  11 12  2  0  0  0  0
    8920. 

  8920.  11 37  1  0  0  0  0
    8921. 

  8921.  12 38  1  0  0  0  0
    8922. 

  8922.  12 13  1  0  0  0  0
    8923. 

  8923.  13 39  1  0  0  0  0
    8924. 

  8924.  14 16  2  0  0  0  0
    8925. 

  8925.  14 17  1  0  0  0  0
    8926. 

  8926.  15 16  1  0  0  0  0
    8927. 

  8927.  15 18  2  0  0  0  0
    8928. 

  8928.  15 40  1  0  0  0  0
    8929. 

  8929.  16 41  1  0  0  0  0
    8930. 

  8930.  17 42  1  0  0  0  0
    8931. 

  8931.  17 19  2  0  0  0  0
    8932. 

  8932.  18 19  1  0  0  0  0
    8933. 

  8933.  18 24  1  0  0  0  0
    8934. 

  8934.  19 43  1  0  0  0  0
    8935. 

  8935.  20 25  1  0  0  0  0
    8936. 

  8936.  20 44  1  0  0  0  0
    8937. 

  8937.  20 45  1  0  0  0  0
    8938. 

  8938.  20 23  1  0  0  0  0
    8939. 

  8939.  21 22  1  0  0  0  0
    8940. 

  8940.  21 46  1  0  0  0  0
    8941. 

  8941.  21 25  1  0  0  0  0
    8942. 

  8942.  21 47  1  0  0  0  0
    8943. 

  8943.  22 24  1  0  0  0  0
    8944. 

  8944.  22 48  1  0  0  0  0
    8945. 

  8945.  22 49  1  0  0  0  0
    8946. 

  8946.  23 24  1  0  0  0  0
    8947. 

  8947.  23 50  1  0  0  0  0
    8948. 

  8948.  23 51  1  0  0  0  0
    8949. 

  8949.  25 26  1  0  0  0  0
    8950. 

  8950.  26 53  1  0  0  0  0
    8951. 

  8951.  26 52  1  0  0  0  0
    8952. 

  8952.  26 54  1  0  0  0  0
    8953. 

  8953.  27 55  1  0  0  0  0
    8954. 

  8954.  27 29  1  0  0  0  0
    8955. 

  8955.  27 56  1  0  0  0  0
    8956. 

  8956.  29 28  1  6  0  0  0
    8957. 

  8957.  28 58  1  0  0  0  0
    8958. 

  8958.  28 57  1  0  0  0  0
    8959. 

  8959.  28 59  1  0  0  0  0
    8960. 

  8960.  29 30  1  0  0  0  0
    8961. 

  8961.  29 60  1  1  0  0  0
    8962. 

  8962.  30 61  1  0  0  0  0
    8963. 

  8963.  30 31  1  0  0  0  0
    8964. 

  8964.  30 62  1  0  0  0  0
    8965. 

  8965.  31 64  1  0  0  0  0
    8966. 

  8966.  31 63  1  0  0  0  0
    8967. 

  8967.  31 65  1  0  0  0  0
    8968. 

  8968. M  END
    8969. 

  8969. >  <ID>
    8970. 

  8970. Rob28e
    8971. 

  8971. 

  8972. >  <Cathepsin L nM>
    8973. 

  8973. 10000
    8974. 

  8974. 

  8975. >  <Cathepsin B nM>
    8976. 

  8976. 5788
    8977. 

  8977. 

  8978. > <FP:MACCS>
    8979. 

  8979. 41 62 75 79 82 85 86 90 92 93 98 100 110 111 114 115 116 117 118 120 121 122 125 128 129 133 135 137 138 141 142 145 147 148 149 151 153 154 155 156 158 160 161 162 163 164 165
    8980. 

  8980. 

  8981. $$$$
    8982. 

  8982. Oue12a
    8983. 

  8983.   MOE2005           2D
    8984. 

  8984. 

  8985.  40 41  0  0  1  0  0  0  0  0999 V2000
    8986. 

  8986.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8987. 

  8987.    -1.5000    0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8988. 

  8988.    -3.0000    0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8989. 

  8989.    -2.7850    1.1980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8990. 

  8990.    -4.1250    0.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8991. 

  8991.    -3.7580   -1.2770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8992. 

  8992.    -3.1640   -2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8993. 

  8993.    -5.2580   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8994. 

  8994.    -6.0150   -2.5630    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8995. 

  8995.    -4.8150   -2.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8996. 

  8996.    -6.0000    0.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8997. 

  8997.    -7.5150   -2.5540    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8998. 

  8998.    -8.2570   -1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8999. 

  8999.    -7.1270   -0.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9000. 

  9000.    -8.4590   -0.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9001. 

  9001.    -9.7570   -1.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9002. 

  9002.   -10.5000    0.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9003. 

  9003.    -8.7150   -2.5540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9004. 

  9004.    -8.2720   -3.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9005. 

  9005.    -9.1870   -3.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9006. 

  9006.    -9.1960   -4.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9007. 

  9007.    -7.5300   -5.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9008. 

  9008.    -8.6600   -5.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9009. 

  9009.    -7.3290   -6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9010. 

  9010.    -6.0300   -5.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9011. 

  9011.    -6.2450   -6.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9012. 

  9012.    -4.9050   -5.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9013. 

  9013.    -5.2730   -3.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9014. 

  9014.    -4.3490   -3.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9015. 

  9015.    -4.3580   -4.6430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9016. 

  9016.    -9.7420    1.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9017. 

  9017.    -8.5420    1.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9018. 

  9018.   -10.4850    2.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9019. 

  9019.    -9.8790    3.6950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9020. 

  9020.   -11.9850    2.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9021. 

  9021.   -12.5790    3.7110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9022. 

  9022.   -12.7420    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9023. 

  9023.   -13.9420    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9024. 

  9024.   -12.0000    0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9025. 

  9025.   -12.6060   -0.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9026. 

  9026.   1  2  3  0  0  0  0
    9027. 

  9027.   2  3  1  0  0  0  0
    9028. 

  9028.   3  5  1  0  0  0  0
    9029. 

  9029.   3  4  1  0  0  0  0
    9030. 

  9030.   3  6  1  0  0  0  0
    9031. 

  9031.   6  7  1  0  0  0  0
    9032. 

  9032.   6  8  1  0  0  0  0
    9033. 

  9033.   8  9  1  0  0  0  0
    9034. 

  9034.   8 11  2  0  0  0  0
    9035. 

  9035.   9 12  1  0  0  0  0
    9036. 

  9036.   9 10  1  0  0  0  0
    9037. 

  9037.   9 28  1  0  0  0  0
    9038. 

  9038.  12 18  1  0  0  0  0
    9039. 

  9039.  12 13  1  0  0  0  0
    9040. 

  9040.  12 19  1  0  0  0  0
    9041. 

  9041.  13 15  1  0  0  0  0
    9042. 

  9042.  13 14  1  0  0  0  0
    9043. 

  9043.  13 16  1  0  0  0  0
    9044. 

  9044.  16 17  1  0  0  0  0
    9045. 

  9045.  17 31  1  0  0  0  0
    9046. 

  9046.  17 39  2  0  0  0  0
    9047. 

  9047.  19 21  1  0  0  0  0
    9048. 

  9048.  19 20  1  0  0  0  0
    9049. 

  9049.  19 22  1  0  0  0  0
    9050. 

  9050.  22 24  1  0  0  0  0
    9051. 

  9051.  22 23  1  0  0  0  0
    9052. 

  9052.  22 25  1  0  0  0  0
    9053. 

  9053.  25 27  1  0  0  0  0
    9054. 

  9054.  25 26  1  0  0  0  0
    9055. 

  9055.  25 28  1  0  0  0  0
    9056. 

  9056.  28 29  1  0  0  0  0
    9057. 

  9057.  28 30  1  0  0  0  0
    9058. 

  9058.  31 32  1  0  0  0  0
    9059. 

  9059.  31 33  2  0  0  0  0
    9060. 

  9060.  33 34  1  0  0  0  0
    9061. 

  9061.  33 35  1  0  0  0  0
    9062. 

  9062.  35 36  1  0  0  0  0
    9063. 

  9063.  35 37  2  0  0  0  0
    9064. 

  9064.  37 38  1  0  0  0  0
    9065. 

  9065.  37 39  1  0  0  0  0
    9066. 

  9066.  39 40  1  0  0  0  0
    9067. 

  9067. M  END
    9068. 

  9068. >  <ID>
    9069. 

  9069. Oue12a
    9070. 

  9070. 

  9071. >  <Cathepsin L nM>
    9072. 

  9072. 25800
    9073. 

  9073. 

  9074. >  <Cathepsin B nM>
    9075. 

  9075. 5332
    9076. 

  9076. 

  9077. > <FP:MACCS>
    9078. 

  9078. 41 59 64 79 81 82 88 90 91 92 100 110 111 117 118 128 129 138 142 145 147 150 151 153 154 155 156 158 161 162 163 164 165
    9079. 

  9079. 

  9080. $$$$
    9081. 

  9081. Gau_0L
    9082. 

  9082.   MOE2005           2D
    9083. 

  9083. 

  9084.  59 60  0  0  1  0  0  0  0  0999 V2000
    9085. 

  9085.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9086. 

  9086.     1.5000    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9087. 

  9087.     2.2510   -1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9088. 

  9088.     1.5030   -2.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9089. 

  9089.     0.0030   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9090. 

  9090.    -0.7490   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9091. 

  9091.    -2.2490   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9092. 

  9092.    -4.4970   -2.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9093. 

  9093.    -2.9970   -2.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9094. 

  9094.    -3.0000   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9095. 

  9095.    -4.5000   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9096. 

  9096.    -5.2490   -1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9097. 

  9097.    -6.7490   -1.3060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9098. 

  9098.    -7.4970   -2.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9099. 

  9099.    -8.2460   -3.9060    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9100. 

  9100.    -8.7970   -1.8580    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9101. 

  9101.    -6.1970   -3.3550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9102. 

  9102.    -7.5000   -0.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9103. 

  9103.    -9.0000   -0.0100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9104. 

  9104.    -9.7490   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9105. 

  9105.   -11.2490   -1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9106. 

  9106.   -11.9970   -2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9107. 

  9107.   -12.0000   -0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9108. 

  9108.    -9.7510    1.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9109. 

  9109.   -11.2510    1.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9110. 

  9110.    -9.0030    2.5880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9111. 

  9111.    -9.7540    3.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9112. 

  9112.    -9.0060    5.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9113. 

  9113.    -8.2570    6.4860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9114. 

  9114.     5.2510   -1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9115. 

  9115.     3.7510   -1.2950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9116. 

  9116.     3.7530   -2.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9117. 

  9117.     3.7500    0.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9118. 

  9118.    -0.6010    1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9119. 

  9119.     2.0990    1.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9120. 

  9120.     2.1040   -3.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9121. 

  9121.    -0.5960   -3.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9122. 

  9122.    -5.0960   -3.6430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9123. 

  9123.    -2.3960   -3.6400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9124. 

  9124.    -2.4010    1.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9125. 

  9125.    -5.1010    1.0340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9126. 

  9126.    -6.1490   -0.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9127. 

  9127.    -6.9010    1.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9128. 

  9128.    -8.4000    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9129. 

  9129.    -9.1840   -1.5140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9130. 

  9130.    -9.9560   -2.4920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9131. 

  9131.   -12.4490   -1.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9132. 

  9132.   -13.0370   -2.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9133. 

  9133.   -12.5960   -3.6510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9134. 

  9134.   -10.9570   -3.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9135. 

  9135.   -10.9610    0.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9136. 

  9136.   -12.6010    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9137. 

  9137.   -13.0390   -0.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9138. 

  9138.    -7.8030    2.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9139. 

  9139.   -10.6730    3.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9140. 

  9140.   -10.6740    4.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9141. 

  9141.     5.2530   -2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9142. 

  9142.     6.4510   -1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9143. 

  9143.     5.2500   -0.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9144. 

  9144.   1 34  1  0  0  0  0
    9145. 

  9145.   1  6  2  0  0  0  0
    9146. 

  9146.   1  2  1  0  0  0  0
    9147. 

  9147.   2 35  1  0  0  0  0
    9148. 

  9148.   2  3  2  0  0  0  0
    9149. 

  9149.   3  4  1  0  0  0  0
    9150. 

  9150.   3 31  1  0  0  0  0
    9151. 

  9151.   4  5  2  0  0  0  0
    9152. 

  9152.   4 36  1  0  0  0  0
    9153. 

  9153.   5  6  1  0  0  0  0
    9154. 

  9154.   5 37  1  0  0  0  0
    9155. 

  9155.   6  7  1  0  0  0  0
    9156. 

  9156.   7  9  1  0  0  0  0
    9157. 

  9157.   7 10  2  0  0  0  0
    9158. 

  9158.   8  9  2  0  0  0  0
    9159. 

  9159.   8 12  1  0  0  0  0
    9160. 

  9160.   8 38  1  0  0  0  0
    9161. 

  9161.   9 39  1  0  0  0  0
    9162. 

  9162.  10 40  1  0  0  0  0
    9163. 

  9163.  10 11  1  0  0  0  0
    9164. 

  9164.  11 12  2  0  0  0  0
    9165. 

  9165.  11 41  1  0  0  0  0
    9166. 

  9166.  12 13  1  0  0  0  0
    9167. 

  9167.  13 18  1  0  0  0  0
    9168. 

  9168.  13 14  1  1  0  0  0
    9169. 

  9169.  13 42  1  6  0  0  0
    9170. 

  9170.  14 16  1  0  0  0  0
    9171. 

  9171.  14 15  1  0  0  0  0
    9172. 

  9172.  14 17  1  0  0  0  0
    9173. 

  9173.  18 19  1  0  0  0  0
    9174. 

  9174.  18 43  1  0  0  0  0
    9175. 

  9175.  19 24  1  0  0  0  0
    9176. 

  9176.  19 20  1  1  0  0  0
    9177. 

  9177.  19 44  1  6  0  0  0
    9178. 

  9178.  20 45  1  0  0  0  0
    9179. 

  9179.  20 21  1  0  0  0  0
    9180. 

  9180.  20 46  1  0  0  0  0
    9181. 

  9181.  21 23  1  0  0  0  0
    9182. 

  9182.  21 22  1  0  0  0  0
    9183. 

  9183.  21 47  1  0  0  0  0
    9184. 

  9184.  22 49  1  0  0  0  0
    9185. 

  9185.  22 48  1  0  0  0  0
    9186. 

  9186.  22 50  1  0  0  0  0
    9187. 

  9187.  23 52  1  0  0  0  0
    9188. 

  9188.  23 51  1  0  0  0  0
    9189. 

  9189.  23 53  1  0  0  0  0
    9190. 

  9190.  24 25  2  0  0  0  0
    9191. 

  9191.  24 26  1  0  0  0  0
    9192. 

  9192.  26 27  1  0  0  0  0
    9193. 

  9193.  26 54  1  0  0  0  0
    9194. 

  9194.  27 55  1  0  0  0  0
    9195. 

  9195.  27 28  1  0  0  0  0
    9196. 

  9196.  27 56  1  0  0  0  0
    9197. 

  9197.  28 29  3  0  0  0  0
    9198. 

  9198.  30 31  1  0  0  0  0
    9199. 

  9199.  30 58  1  0  0  0  0
    9200. 

  9200.  30 57  1  0  0  0  0
    9201. 

  9201.  30 59  1  0  0  0  0
    9202. 

  9202.  31 32  2  0  0  0  0
    9203. 

  9203.  31 33  2  0  0  0  0
    9204. 

  9204. M  END
    9205. 

  9205. >  <ID>
    9206. 

  9206. Gau_0L
    9207. 

  9207. 

  9208. >  <Cathepsin L nM>
    9209. 

  9209. 264
    9210. 

  9210. 

  9211. >  <Cathepsin B nM>
    9212. 

  9212. 5239
    9213. 

  9213. 

  9214. > <FP:MACCS>
    9215. 

  9215. 41 42 51 54 55 58 59 60 61 62 64 67 73 74 79 81 82 88 90 91 92 93 95 100 102 104 106 107 110 111 112 115 117 124 125 128 130 131 134 136 141 142 145 146 148 149 151 153 154 155 156 158 159 160 161 162 163 164 165
    9216. 

  9216. 

  9217. $$$$
    9218. 

  9218. Tri18m
    9219. 

  9219.   MOE2005           2D
    9220. 

  9220. 

  9221.  48 49  0  0  0  0  0  0  0  0999 V2000
    9222. 

  9222.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9223. 

  9223.     0.7520    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9224. 

  9224.     1.5040    2.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9225. 

  9225.     2.4220    1.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9226. 

  9226.     2.4250    3.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9227. 

  9227.     0.7560    3.8960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9228. 

  9228.    -0.4440    3.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9229. 

  9229.     1.5080    5.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9230. 

  9230.     0.7600    6.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9231. 

  9231.     2.2600    6.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9232. 

  9232.     2.5600    5.9720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9233. 

  9233.     3.0080    5.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9234. 

  9234.     0.7630    7.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9235. 

  9235.     1.9440    7.7840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9236. 

  9236.     1.1750    9.1210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9237. 

  9237.    -0.5350    8.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9238. 

  9238.     0.2380    9.6640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9239. 

  9239.    -1.3050    9.6660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9240. 

  9240.    -1.8350    7.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9241. 

  9241.    -2.2440    9.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9242. 

  9242.    -3.0180    7.7920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9243. 

  9243.    -1.8380    6.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9244. 

  9244.    -3.0190    6.7080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9245. 

  9245.    -2.2500    5.3710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9246. 

  9246.    -0.5400    5.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9247. 

  9247.     0.2300    4.8260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9248. 

  9248.    -1.3130    4.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9249. 

  9249.     3.0120    7.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9250. 

  9250.     4.5120    7.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9251. 

  9251.     2.2640    9.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9252. 

  9252.     5.2640    9.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9253. 

  9253.     4.6660   10.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9254. 

  9254.     6.7640    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9255. 

  9255.     7.3660   10.1210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9256. 

  9256.     7.5120    7.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9257. 

  9257.     9.0120    7.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9258. 

  9258.     9.7600    6.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9259. 

  9259.     8.7200    5.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9260. 

  9260.    10.3590    5.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9261. 

  9261.    10.8000    7.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9262. 

  9262.     9.7640    9.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9263. 

  9263.    10.8030    8.4760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9264. 

  9264.    10.3660   10.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9265. 

  9265.     8.7260    9.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9266. 

  9266.     6.7600    6.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9267. 

  9267.     7.3590    5.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9268. 

  9268.     5.2600    6.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9269. 

  9269.     4.6590    5.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9270. 

  9270.   1  2  3  0  0  0  0
    9271. 

  9271.   2  3  1  0  0  0  0
    9272. 

  9272.   3  5  1  0  0  0  0
    9273. 

  9273.   3  4  1  0  0  0  0
    9274. 

  9274.   3  6  1  0  0  0  0
    9275. 

  9275.   6  7  1  0  0  0  0
    9276. 

  9276.   6  8  1  0  0  0  0
    9277. 

  9277.   8  9  1  0  0  0  0
    9278. 

  9278.   8 12  2  0  0  0  0
    9279. 

  9279.   9 13  1  0  0  0  0
    9280. 

  9280.   9 10  1  0  0  0  0
    9281. 

  9281.   9 25  1  0  0  0  0
    9282. 

  9282.  10 11  1  0  0  0  0
    9283. 

  9283.  10 28  1  0  0  0  0
    9284. 

  9284.  13 15  1  0  0  0  0
    9285. 

  9285.  13 14  1  0  0  0  0
    9286. 

  9286.  13 16  1  0  0  0  0
    9287. 

  9287.  16 18  1  0  0  0  0
    9288. 

  9288.  16 17  1  0  0  0  0
    9289. 

  9289.  16 19  1  0  0  0  0
    9290. 

  9290.  19 21  1  0  0  0  0
    9291. 

  9291.  19 20  1  0  0  0  0
    9292. 

  9292.  19 22  1  0  0  0  0
    9293. 

  9293.  22 24  1  0  0  0  0
    9294. 

  9294.  22 23  1  0  0  0  0
    9295. 

  9295.  22 25  1  0  0  0  0
    9296. 

  9296.  25 26  1  0  0  0  0
    9297. 

  9297.  25 27  1  0  0  0  0
    9298. 

  9298.  28 29  1  0  0  0  0
    9299. 

  9299.  28 30  2  0  0  0  0
    9300. 

  9300.  29 31  1  0  0  0  0
    9301. 

  9301.  29 47  2  0  0  0  0
    9302. 

  9302.  31 32  1  0  0  0  0
    9303. 

  9303.  31 33  2  0  0  0  0
    9304. 

  9304.  33 34  1  0  0  0  0
    9305. 

  9305.  33 35  1  0  0  0  0
    9306. 

  9306.  35 36  1  0  0  0  0
    9307. 

  9307.  35 45  2  0  0  0  0
    9308. 

  9308.  36 37  1  0  0  0  0
    9309. 

  9309.  36 41  1  0  0  0  0
    9310. 

  9310.  37 39  1  0  0  0  0
    9311. 

  9311.  37 38  1  0  0  0  0
    9312. 

  9312.  37 40  1  0  0  0  0
    9313. 

  9313.  41 43  1  0  0  0  0
    9314. 

  9314.  41 42  1  0  0  0  0
    9315. 

  9315.  41 44  1  0  0  0  0
    9316. 

  9316.  45 46  1  0  0  0  0
    9317. 

  9317.  45 47  1  0  0  0  0
    9318. 

  9318.  47 48  1  0  0  0  0
    9319. 

  9319. M  END
    9320. 

  9320. >  <ID>
    9321. 

  9321. Tri18m
    9322. 

  9322. 

  9323. >  <Cathepsin L nM>
    9324. 

  9324. 48000
    9325. 

  9325. 

  9326. >  <Cathepsin B nM>
    9327. 

  9327. 5200
    9328. 

  9328. 

  9329. > <FP:MACCS>
    9330. 

  9330. 41 54 66 74 79 82 85 86 90 91 92 93 95 100 104 110 111 112 117 118 122 128 129 131 133 135 136 142 145 147 148 149 151 153 154 155 156 158 159 160 161 162 163 164 165
    9331. 

  9331. 

  9332. $$$$
    9333. 

  9333. Gau_25
    9334. 

  9334.   MOE2005           2D
    9335. 

  9335. 

  9336.  51 53  0  0  1  0  0  0  0  0999 V2000
    9337. 

  9337.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9338. 

  9338.     2.2430    1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9339. 

  9339.     0.7430    1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9340. 

  9340.     0.7570   -1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9341. 

  9341.     2.2570   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9342. 

  9342.     3.0000    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9343. 

  9343.     4.5000    0.0250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9344. 

  9344.     5.2570   -1.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9345. 

  9345.     6.5520   -0.5130    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9346. 

  9346.     6.0140   -2.5650    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9347. 

  9347.     3.9620   -2.0270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9348. 

  9348.     5.2430    1.3280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9349. 

  9349.     6.7430    1.3360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9350. 

  9350.     7.4860    2.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9351. 

  9351.     8.9860    2.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9352. 

  9352.     6.7280    3.9340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9353. 

  9353.     8.3780    6.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9354. 

  9354.     8.9600    5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9355. 

  9355.     7.4710    5.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9356. 

  9356.     6.0200    5.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9357. 

  9357.     4.5690    5.9980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9358. 

  9358.     7.5000    0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9359. 

  9359.     9.0080   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9360. 

  9360.     8.9920    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9361. 

  9361.     9.0000    0.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9362. 

  9362.    10.5000    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9363. 

  9363.    12.7570   -1.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9364. 

  9364.    11.2570   -1.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9365. 

  9365.    11.2430    1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9366. 

  9366.    12.7430    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9367. 

  9367.    13.5000    0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9368. 

  9368.    13.5140   -2.5240    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9369. 

  9369.    15.0000    0.0830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9370. 

  9370.    -1.5000   -0.0080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9371. 

  9371.     2.8370    2.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9372. 

  9372.     0.1370    2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9373. 

  9373.     0.1630   -2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9374. 

  9374.     2.8630   -2.3220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9375. 

  9375.     3.9000    1.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9376. 

  9376.     4.6370    2.3640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9377. 

  9377.     6.1430    2.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9378. 

  9378.     5.5280    3.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9379. 

  9379.     9.3860    7.0830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9380. 

  9380.     7.5620    7.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9381. 

  9381.    10.1300    5.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9382. 

  9382.     9.0180    3.8510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9383. 

  9383.     6.9370   -0.1670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9384. 

  9384.     7.7150   -1.1390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9385. 

  9385.    10.6630   -2.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9386. 

  9386.    10.6370    2.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9387. 

  9387.    13.3370    2.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9388. 

  9388.   1 34  1  0  0  0  0
    9389. 

  9389.   1  4  2  0  0  0  0
    9390. 

  9390.   1  3  1  0  0  0  0
    9391. 

  9391.   2  6  1  0  0  0  0
    9392. 

  9392.   2 35  1  0  0  0  0
    9393. 

  9393.   2  3  2  0  0  0  0
    9394. 

  9394.   3 36  1  0  0  0  0
    9395. 

  9395.   4  5  1  0  0  0  0
    9396. 

  9396.   4 37  1  0  0  0  0
    9397. 

  9397.   5  6  2  0  0  0  0
    9398. 

  9398.   5 38  1  0  0  0  0
    9399. 

  9399.   6  7  1  0  0  0  0
    9400. 

  9400.   7 12  1  6  0  0  0
    9401. 

  9401.   7  8  1  0  0  0  0
    9402. 

  9402.   7 39  1  1  0  0  0
    9403. 

  9403.   8 10  1  0  0  0  0
    9404. 

  9404.   8  9  1  0  0  0  0
    9405. 

  9405.   8 11  1  0  0  0  0
    9406. 

  9406.  12 13  1  0  0  0  0
    9407. 

  9407.  12 40  1  0  0  0  0
    9408. 

  9408.  13 22  1  6  0  0  0
    9409. 

  9409.  13 14  1  0  0  0  0
    9410. 

  9410.  13 41  1  1  0  0  0
    9411. 

  9411.  14 15  2  0  0  0  0
    9412. 

  9412.  14 16  1  0  0  0  0
    9413. 

  9413.  16 19  1  0  0  0  0
    9414. 

  9414.  16 42  1  0  0  0  0
    9415. 

  9415.  17 19  1  0  0  0  0
    9416. 

  9416.  17 43  1  0  0  0  0
    9417. 

  9417.  17 44  1  0  0  0  0
    9418. 

  9418.  17 18  1  0  0  0  0
    9419. 

  9419.  18 19  1  0  0  0  0
    9420. 

  9420.  18 45  1  0  0  0  0
    9421. 

  9421.  18 46  1  0  0  0  0
    9422. 

  9422.  19 20  1  0  0  0  0
    9423. 

  9423.  20 21  3  0  0  0  0
    9424. 

  9424.  22 47  1  0  0  0  0
    9425. 

  9425.  22 25  1  0  0  0  0
    9426. 

  9426.  22 48  1  0  0  0  0
    9427. 

  9427.  23 25  2  0  0  0  0
    9428. 

  9428.  24 25  2  0  0  0  0
    9429. 

  9429.  25 26  1  0  0  0  0
    9430. 

  9430.  26 28  1  0  0  0  0
    9431. 

  9431.  26 29  2  0  0  0  0
    9432. 

  9432.  27 28  2  0  0  0  0
    9433. 

  9433.  27 31  1  0  0  0  0
    9434. 

  9434.  27 32  1  0  0  0  0
    9435. 

  9435.  28 49  1  0  0  0  0
    9436. 

  9436.  29 50  1  0  0  0  0
    9437. 

  9437.  29 30  1  0  0  0  0
    9438. 

  9438.  30 31  2  0  0  0  0
    9439. 

  9439.  30 51  1  0  0  0  0
    9440. 

  9440.  31 33  1  0  0  0  0
    9441. 

  9441. M  END
    9442. 

  9442. >  <ID>
    9443. 

  9443. Gau_25
    9444. 

  9444. 

  9445. >  <Cathepsin L nM>
    9446. 

  9446. 41
    9447. 

  9447. 

  9448. >  <Cathepsin B nM>
    9449. 

  9449. 4813
    9450. 

  9450. 

  9451. > <FP:MACCS>
    9452. 

  9452. 22 41 42 51 54 55 58 59 60 61 64 66 67 73 79 81 87 88 90 92 95 97 102 103 104 106 107 110 111 112 117 124 125 130 131 132 133 134 136 142 144 145 146 147 148 150 151 153 154 155 156 158 159 161 162 163 164 165
    9453. 

  9453. 

  9454. $$$$
    9455. 

  9455. Oue12b
    9456. 

  9456.   MOE2005           2D
    9457. 

  9457. 

  9458.  40 41  0  0  1  0  0  0  0  0999 V2000
    9459. 

  9459.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9460. 

  9460.     1.5000    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9461. 

  9461.     3.0000    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9462. 

  9462.     2.7940   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9463. 

  9463.     4.1280   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9464. 

  9464.     3.7480    1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9465. 

  9465.     3.1460    2.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9466. 

  9466.     5.2480    1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9467. 

  9467.     5.9950    2.6090    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9468. 

  9468.     4.7950    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9469. 

  9469.     6.0000    0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9470. 

  9470.     7.4950    2.6120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9471. 

  9471.     8.2480    1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9472. 

  9472.     7.1210    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9473. 

  9473.     8.4580    0.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9474. 

  9474.     9.7480    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9475. 

  9475.    10.5000    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9476. 

  9476.     8.6950    2.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9477. 

  9477.     8.2430    3.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9478. 

  9478.     9.1640    3.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9479. 

  9479.     9.1610    4.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9480. 

  9480.     7.4900    5.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9481. 

  9481.     8.6170    5.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9482. 

  9482.     7.2800    6.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9483. 

  9483.     5.9900    5.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9484. 

  9484.     6.1970    6.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9485. 

  9485.     4.8620    5.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9486. 

  9486.     5.2430    3.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9487. 

  9487.     4.3250    3.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9488. 

  9488.     4.3220    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9489. 

  9489.     9.7520   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9490. 

  9490.     8.5520   -1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9491. 

  9491.    10.5050   -2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9492. 

  9492.     9.9070   -3.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9493. 

  9493.    12.0050   -2.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9494. 

  9494.    12.6070   -3.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9495. 

  9495.    12.7520   -1.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9496. 

  9496.    14.2520   -1.2730    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9497. 

  9497.    12.0000    0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9498. 

  9498.    12.5980    1.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9499. 

  9499.   1  2  3  0  0  0  0
    9500. 

  9500.   2  3  1  0  0  0  0
    9501. 

  9501.   3  5  1  0  0  0  0
    9502. 

  9502.   3  4  1  0  0  0  0
    9503. 

  9503.   3  6  1  0  0  0  0
    9504. 

  9504.   6  7  1  0  0  0  0
    9505. 

  9505.   6  8  1  0  0  0  0
    9506. 

  9506.   8  9  1  0  0  0  0
    9507. 

  9507.   8 11  2  0  0  0  0
    9508. 

  9508.   9 12  1  0  0  0  0
    9509. 

  9509.   9 10  1  0  0  0  0
    9510. 

  9510.   9 28  1  0  0  0  0
    9511. 

  9511.  12 18  1  0  0  0  0
    9512. 

  9512.  12 13  1  0  0  0  0
    9513. 

  9513.  12 19  1  0  0  0  0
    9514. 

  9514.  13 15  1  0  0  0  0
    9515. 

  9515.  13 14  1  0  0  0  0
    9516. 

  9516.  13 16  1  0  0  0  0
    9517. 

  9517.  16 17  1  0  0  0  0
    9518. 

  9518.  17 31  1  0  0  0  0
    9519. 

  9519.  17 39  2  0  0  0  0
    9520. 

  9520.  19 21  1  0  0  0  0
    9521. 

  9521.  19 20  1  0  0  0  0
    9522. 

  9522.  19 22  1  0  0  0  0
    9523. 

  9523.  22 24  1  0  0  0  0
    9524. 

  9524.  22 23  1  0  0  0  0
    9525. 

  9525.  22 25  1  0  0  0  0
    9526. 

  9526.  25 27  1  0  0  0  0
    9527. 

  9527.  25 26  1  0  0  0  0
    9528. 

  9528.  25 28  1  0  0  0  0
    9529. 

  9529.  28 29  1  0  0  0  0
    9530. 

  9530.  28 30  1  0  0  0  0
    9531. 

  9531.  31 32  1  0  0  0  0
    9532. 

  9532.  31 33  2  0  0  0  0
    9533. 

  9533.  33 34  1  0  0  0  0
    9534. 

  9534.  33 35  1  0  0  0  0
    9535. 

  9535.  35 36  1  0  0  0  0
    9536. 

  9536.  35 37  2  0  0  0  0
    9537. 

  9537.  37 38  1  0  0  0  0
    9538. 

  9538.  37 39  1  0  0  0  0
    9539. 

  9539.  39 40  1  0  0  0  0
    9540. 

  9540. M  END
    9541. 

  9541. >  <ID>
    9542. 

  9542. Oue12b
    9543. 

  9543. 

  9544. >  <Cathepsin L nM>
    9545. 

  9545. 3600
    9546. 

  9546. 

  9547. >  <Cathepsin B nM>
    9548. 

  9548. 4350
    9549. 

  9549. 

  9550. > <FP:MACCS>
    9551. 

  9551. 41 42 59 64 79 81 82 87 88 90 91 92 100 107 110 111 117 118 128 129 134 138 142 145 147 150 151 153 154 155 156 158 161 162 163 164 165
    9552. 

  9552. 

  9553. $$$$
    9554. 

  9554. Per_12
    9555. 

  9555.   MOE2005           2D
    9556. 

  9556. 

  9557.  59 62  0  0  0  0  0  0  0  0999 V2000
    9558. 

  9558.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9559. 

  9559.     1.5000    0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9560. 

  9560.     2.2590   -1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9561. 

  9561.     1.5180   -2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9562. 

  9562.     0.0180   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9563. 

  9563.    -0.7410   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9564. 

  9564.    -2.2410   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9565. 

  9565.    -2.9820   -2.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9566. 

  9566.    -3.0000   -0.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9567. 

  9567.    -4.5000   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9568. 

  9568.    -7.0880   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9569. 

  9569.    -7.0980   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9570. 

  9570.    -5.8040    0.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9571. 

  9571.    -4.4900   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9572. 

  9572.    -5.7840   -2.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9573. 

  9573.    -3.7590    1.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9574. 

  9574.    -2.2590    1.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9575. 

  9575.    -4.5180    2.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9576. 

  9576.    -3.7770    3.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9577. 

  9577.    -4.5360    5.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9578. 

  9578.    -5.2940    6.4590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9579. 

  9579.     3.7590   -1.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9580. 

  9580.     6.0720   -2.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9581. 

  9581.     4.6320   -0.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9582. 

  9582.     4.6490   -2.4810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9583. 

  9583.     6.0620   -0.5070    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9584. 

  9584.     8.3650   -5.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9585. 

  9585.     9.8770   -3.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9586. 

  9586.     8.6580   -2.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9587. 

  9587.     7.1450   -4.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9588. 

  9588.     7.2920   -2.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9589. 

  9589.     9.7310   -4.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9590. 

  9590.    -0.6070    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9591. 

  9591.     2.0930    1.0540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9592. 

  9592.     2.1250   -3.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9593. 

  9593.    -0.5750   -3.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9594. 

  9594.    -2.7040    0.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9595. 

  9595.    -8.2710   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9596. 

  9596.    -7.4900   -2.6790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9597. 

  9597.    -8.2780   -0.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9598. 

  9598.    -7.5160    1.0760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9599. 

  9599.    -5.0390    1.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9600. 

  9600.    -6.5820    1.6240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9601. 

  9601.    -3.3090   -1.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9602. 

  9602.    -4.0720   -2.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9603. 

  9603.    -6.5480   -3.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9604. 

  9604.    -5.0060   -3.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9605. 

  9605.    -5.7180    2.5590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9606. 

  9606.    -2.8520    3.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9607. 

  9607.    -2.8630    4.6490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9608. 

  9608.     4.2540    1.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9609. 

  9609.     7.5070   -6.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9610. 

  9610.     9.0420   -6.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9611. 

  9611.    10.3960   -2.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9612. 

  9612.    11.0330   -3.4580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9613. 

  9613.     9.5150   -1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9614. 

  9614.     7.9800   -1.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9615. 

  9615.     6.6260   -5.4560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9616. 

  9616.     5.9890   -4.0510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9617. 

  9617.   1 33  1  0  0  0  0
    9618. 

  9618.   1  6  2  0  0  0  0
    9619. 

  9619.   1  2  1  0  0  0  0
    9620. 

  9620.   2 34  1  0  0  0  0
    9621. 

  9621.   2  3  2  0  0  0  0
    9622. 

  9622.   3  4  1  0  0  0  0
    9623. 

  9623.   3 22  1  0  0  0  0
    9624. 

  9624.   4  5  2  0  0  0  0
    9625. 

  9625.   4 35  1  0  0  0  0
    9626. 

  9626.   5  6  1  0  0  0  0
    9627. 

  9627.   5 36  1  0  0  0  0
    9628. 

  9628.   6  7  1  0  0  0  0
    9629. 

  9629.   7  8  2  0  0  0  0
    9630. 

  9630.   7  9  1  0  0  0  0
    9631. 

  9631.   9 10  1  0  0  0  0
    9632. 

  9632.   9 37  1  0  0  0  0
    9633. 

  9633.  10 14  1  0  0  0  0
    9634. 

  9634.  10 13  1  0  0  0  0
    9635. 

  9635.  10 16  1  0  0  0  0
    9636. 

  9636.  11 15  1  0  0  0  0
    9637. 

  9637.  11 38  1  0  0  0  0
    9638. 

  9638.  11 39  1  0  0  0  0
    9639. 

  9639.  11 12  1  0  0  0  0
    9640. 

  9640.  12 40  1  0  0  0  0
    9641. 

  9641.  12 41  1  0  0  0  0
    9642. 

  9642.  12 13  1  0  0  0  0
    9643. 

  9643.  13 42  1  0  0  0  0
    9644. 

  9644.  13 43  1  0  0  0  0
    9645. 

  9645.  14 44  1  0  0  0  0
    9646. 

  9646.  14 15  1  0  0  0  0
    9647. 

  9647.  14 45  1  0  0  0  0
    9648. 

  9648.  15 46  1  0  0  0  0
    9649. 

  9649.  15 47  1  0  0  0  0
    9650. 

  9650.  16 17  2  0  0  0  0
    9651. 

  9651.  16 18  1  0  0  0  0
    9652. 

  9652.  18 19  1  0  0  0  0
    9653. 

  9653.  18 48  1  0  0  0  0
    9654. 

  9654.  19 49  1  0  0  0  0
    9655. 

  9655.  19 20  1  0  0  0  0
    9656. 

  9656.  19 50  1  0  0  0  0
    9657. 

  9657.  20 21  3  0  0  0  0
    9658. 

  9658.  22 24  2  0  0  0  0
    9659. 

  9659.  22 25  1  0  0  0  0
    9660. 

  9660.  23 26  1  0  0  0  0
    9661. 

  9661.  23 31  1  0  0  0  0
    9662. 

  9662.  23 25  2  0  0  0  0
    9663. 

  9663.  24 26  1  0  0  0  0
    9664. 

  9664.  24 51  1  0  0  0  0
    9665. 

  9665.  27 32  1  0  0  0  0
    9666. 

  9666.  27 52  1  0  0  0  0
    9667. 

  9667.  27 53  1  0  0  0  0
    9668. 

  9668.  27 30  1  0  0  0  0
    9669. 

  9669.  28 29  1  0  0  0  0
    9670. 

  9670.  28 54  1  0  0  0  0
    9671. 

  9671.  28 32  1  0  0  0  0
    9672. 

  9672.  28 55  1  0  0  0  0
    9673. 

  9673.  29 31  1  0  0  0  0
    9674. 

  9674.  29 56  1  0  0  0  0
    9675. 

  9675.  29 57  1  0  0  0  0
    9676. 

  9676.  30 31  1  0  0  0  0
    9677. 

  9677.  30 58  1  0  0  0  0
    9678. 

  9678.  30 59  1  0  0  0  0
    9679. 

  9679. M  END
    9680. 

  9680. >  <ID>
    9681. 

  9681. Per_12
    9682. 

  9682. 

  9683. >  <Cathepsin L nM>
    9684. 

  9684. 24000
    9685. 

  9685. 

  9686. >  <Cathepsin B nM>
    9687. 

  9687. 4200
    9688. 

  9688. 

  9689. > <FP:MACCS>
    9690. 

  9690. 36 41 47 54 57 62 65 66 75 77 79 81 82 83 85 86 88 90 91 92 95 96 98 100 104 106 109 110 111 112 117 118 120 121 122 125 128 129 131 132 133 135 136 137 138 142 145 146 147 148 151 153 154 155 156 157 158 159 161 162 163 164 165
    9691. 

  9691. 

  9692. $$$$
    9693. 

  9693. Gau_08
    9694. 

  9694.   MOE2005           2D
    9695. 

  9695. 

  9696.  44 45  0  0  1  0  0  0  0  0999 V2000
    9697. 

  9697.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9698. 

  9698.     0.0130   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9699. 

  9699.     0.7570   -1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9700. 

  9700.    -1.5000   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9701. 

  9701.    -2.2430   -1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9702. 

  9702.    -1.4870   -2.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9703. 

  9703.    -2.2300   -3.9090    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9704. 

  9704.    -1.4730   -5.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9705. 

  9705.    -0.7160   -6.4990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9706. 

  9706.    -2.7680   -5.9600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9707. 

  9707.    -0.1780   -4.4470    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9708. 

  9708.    -3.7300   -3.9160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9709. 

  9709.    -4.4730   -5.2190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9710. 

  9710.    -3.7160   -6.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9711. 

  9711.    -5.9730   -5.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9712. 

  9712.    -6.7160   -6.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9713. 

  9713.    -6.7300   -3.9320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9714. 

  9714.    -7.8490   -2.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9715. 

  9715.    -7.4680   -1.0380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9716. 

  9716.    -8.2300   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9717. 

  9717.    -8.7970   -5.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9718. 

  9718.    -9.7160   -4.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9719. 

  9719.    -5.2030   -9.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9720. 

  9720.     2.2570   -1.2870    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9721. 

  9721.    -4.4600   -7.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9722. 

  9722.    -5.7630   -7.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9723. 

  9723.    -3.1570   -8.5610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9724. 

  9724.     0.5950    1.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9725. 

  9725.     0.6190   -3.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9726. 

  9726.    -2.1050    1.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9727. 

  9727.    -3.4430   -1.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9728. 

  9728.    -2.8300   -2.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9729. 

  9729.    -4.3350   -2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9730. 

  9730.    -5.0730   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9731. 

  9731.    -3.2590   -6.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9732. 

  9732.    -2.7930   -7.2810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9733. 

  9733.    -6.1350   -2.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9734. 

  9734.    -7.7810   -5.9680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9735. 

  9735.    -9.6030   -6.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9736. 

  9736.   -10.0830   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9737. 

  9737.   -10.7780   -4.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9738. 

  9738.    -6.2450   -8.5260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9739. 

  9739.    -5.7980  -10.1620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9740. 

  9740.    -4.1610   -9.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9741. 

  9741.   1 28  1  0  0  0  0
    9742. 

  9742.   1  4  2  0  0  0  0
    9743. 

  9743.   1  3  1  0  0  0  0
    9744. 

  9744.   2  6  1  0  0  0  0
    9745. 

  9745.   2 29  1  0  0  0  0
    9746. 

  9746.   2  3  2  0  0  0  0
    9747. 

  9747.   3 24  1  0  0  0  0
    9748. 

  9748.   4  5  1  0  0  0  0
    9749. 

  9749.   4 30  1  0  0  0  0
    9750. 

  9750.   5  6  2  0  0  0  0
    9751. 

  9751.   5 31  1  0  0  0  0
    9752. 

  9752.   6  7  1  0  0  0  0
    9753. 

  9753.   7 12  1  1  0  0  0
    9754. 

  9754.   7  8  1  0  0  0  0
    9755. 

  9755.   7 32  1  6  0  0  0
    9756. 

  9756.   8 10  1  0  0  0  0
    9757. 

  9757.   8  9  1  0  0  0  0
    9758. 

  9758.   8 11  1  0  0  0  0
    9759. 

  9759.  12 13  1  0  0  0  0
    9760. 

  9760.  12 33  1  0  0  0  0
    9761. 

  9761.  13 15  1  0  0  0  0
    9762. 

  9762.  13 14  1  1  0  0  0
    9763. 

  9763.  13 34  1  6  0  0  0
    9764. 

  9764.  14 35  1  0  0  0  0
    9765. 

  9765.  14 25  1  0  0  0  0
    9766. 

  9766.  14 36  1  0  0  0  0
    9767. 

  9767.  15 16  2  0  0  0  0
    9768. 

  9768.  15 17  1  0  0  0  0
    9769. 

  9769.  17 20  1  0  0  0  0
    9770. 

  9770.  17 37  1  0  0  0  0
    9771. 

  9771.  18 20  1  0  0  0  0
    9772. 

  9772.  18 19  3  0  0  0  0
    9773. 

  9773.  20 21  1  0  0  0  0
    9774. 

  9774.  20 22  1  0  0  0  0
    9775. 

  9775.  21 38  1  0  0  0  0
    9776. 

  9776.  21 39  1  0  0  0  0
    9777. 

  9777.  21 22  1  0  0  0  0
    9778. 

  9778.  22 40  1  0  0  0  0
    9779. 

  9779.  22 41  1  0  0  0  0
    9780. 

  9780.  23 25  1  0  0  0  0
    9781. 

  9781.  23 43  1  0  0  0  0
    9782. 

  9782.  23 42  1  0  0  0  0
    9783. 

  9783.  23 44  1  0  0  0  0
    9784. 

  9784.  25 26  2  0  0  0  0
    9785. 

  9785.  25 27  2  0  0  0  0
    9786. 

  9786. M  END
    9787. 

  9787. >  <ID>
    9788. 

  9788. Gau_08
    9789. 

  9789. 

  9790. >  <Cathepsin L nM>
    9791. 

  9791. 911
    9792. 

  9792. 

  9793. >  <Cathepsin B nM>
    9794. 

  9794. 3854
    9795. 

  9795. 

  9796. > <FP:MACCS>
    9797. 

  9797. 22 41 42 51 54 55 58 60 61 66 67 73 79 86 87 88 90 92 93 95 97 102 104 106 107 110 111 112 115 117 124 130 131 132 133 134 136 142 146 147 148 151 153 154 155 156 158 159 160 161 162 163 164 165
    9798. 

  9798. 

  9799. $$$$
    9800. 

  9800. Gau_20
    9801. 

  9801.   MOE2005           2D
    9802. 

  9802. 

  9803.  51 53  0  0  1  0  0  0  0  0999 V2000
    9804. 

  9804.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9805. 

  9805.     2.2580   -1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9806. 

  9806.     0.7590   -1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9807. 

  9807.     0.7410    1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9808. 

  9808.     2.2410    1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9809. 

  9809.     3.0000    0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9810. 

  9810.     4.5000    0.0300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9811. 

  9811.     5.2580   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9812. 

  9812.     6.0170   -2.5580    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9813. 

  9813.     3.9640   -2.0230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9814. 

  9814.     6.5520   -0.5060    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9815. 

  9815.     5.2410    1.3340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9816. 

  9816.     6.7410    1.3440    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9817. 

  9817.     7.4830    2.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9818. 

  9818.     8.9830    2.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9819. 

  9819.     6.7240    3.9420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9820. 

  9820.     8.3710    6.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9821. 

  9821.     8.9540    5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9822. 

  9822.     7.4660    5.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9823. 

  9823.     6.0140    5.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9824. 

  9824.     4.5630    6.0030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9825. 

  9825.     7.5000    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9826. 

  9826.     8.9900    1.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9827. 

  9827.     9.0100   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9828. 

  9828.     9.0000    0.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9829. 

  9829.    10.5000    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9830. 

  9830.    12.7580   -1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9831. 

  9831.    11.2580   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9832. 

  9832.    11.2410    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9833. 

  9833.    12.7410    1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9834. 

  9834.    13.5000    0.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9835. 

  9835.    15.0000    0.0990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9836. 

  9836.    -1.2000   -0.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9837. 

  9837.     2.8650   -2.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9838. 

  9838.     0.1650   -2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9839. 

  9839.     0.1340    2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9840. 

  9840.     2.8340    2.3570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9841. 

  9841.     3.9000    1.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9842. 

  9842.     4.6340    2.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9843. 

  9843.     6.1410    2.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9844. 

  9844.     5.5240    3.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9845. 

  9845.     9.3780    7.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9846. 

  9846.     7.5540    7.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9847. 

  9847.    10.1240    5.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9848. 

  9848.     9.0140    3.8610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9849. 

  9849.     6.9370   -0.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9850. 

  9850.     7.7160   -1.1310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9851. 

  9851.    13.3650   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9852. 

  9852.    10.6650   -2.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9853. 

  9853.    10.6340    2.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9854. 

  9854.    13.3340    2.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9855. 

  9855.   1 33  1  0  0  0  0
    9856. 

  9856.   1  4  2  0  0  0  0
    9857. 

  9857.   1  3  1  0  0  0  0
    9858. 

  9858.   2  6  1  0  0  0  0
    9859. 

  9859.   2 34  1  0  0  0  0
    9860. 

  9860.   2  3  2  0  0  0  0
    9861. 

  9861.   3 35  1  0  0  0  0
    9862. 

  9862.   4  5  1  0  0  0  0
    9863. 

  9863.   4 36  1  0  0  0  0
    9864. 

  9864.   5  6  2  0  0  0  0
    9865. 

  9865.   5 37  1  0  0  0  0
    9866. 

  9866.   6  7  1  0  0  0  0
    9867. 

  9867.   7 12  1  0  0  0  0
    9868. 

  9868.   7  8  1  6  0  0  0
    9869. 

  9869.   7 38  1  1  0  0  0
    9870. 

  9870.   8 10  1  0  0  0  0
    9871. 

  9871.   8  9  1  0  0  0  0
    9872. 

  9872.   8 11  1  0  0  0  0
    9873. 

  9873.  12 13  1  0  0  0  0
    9874. 

  9874.  12 39  1  0  0  0  0
    9875. 

  9875.  13 22  1  6  0  0  0
    9876. 

  9876.  13 14  1  0  0  0  0
    9877. 

  9877.  13 40  1  1  0  0  0
    9878. 

  9878.  14 15  2  0  0  0  0
    9879. 

  9879.  14 16  1  0  0  0  0
    9880. 

  9880.  16 19  1  0  0  0  0
    9881. 

  9881.  16 41  1  0  0  0  0
    9882. 

  9882.  17 19  1  0  0  0  0
    9883. 

  9883.  17 42  1  0  0  0  0
    9884. 

  9884.  17 43  1  0  0  0  0
    9885. 

  9885.  17 18  1  0  0  0  0
    9886. 

  9886.  18 19  1  0  0  0  0
    9887. 

  9887.  18 44  1  0  0  0  0
    9888. 

  9888.  18 45  1  0  0  0  0
    9889. 

  9889.  19 20  1  0  0  0  0
    9890. 

  9890.  20 21  3  0  0  0  0
    9891. 

  9891.  22 46  1  0  0  0  0
    9892. 

  9892.  22 25  1  0  0  0  0
    9893. 

  9893.  22 47  1  0  0  0  0
    9894. 

  9894.  23 25  2  0  0  0  0
    9895. 

  9895.  24 25  2  0  0  0  0
    9896. 

  9896.  25 26  1  0  0  0  0
    9897. 

  9897.  26 28  1  0  0  0  0
    9898. 

  9898.  26 29  2  0  0  0  0
    9899. 

  9899.  27 28  2  0  0  0  0
    9900. 

  9900.  27 31  1  0  0  0  0
    9901. 

  9901.  27 48  1  0  0  0  0
    9902. 

  9902.  28 49  1  0  0  0  0
    9903. 

  9903.  29 50  1  0  0  0  0
    9904. 

  9904.  29 30  1  0  0  0  0
    9905. 

  9905.  30 31  2  0  0  0  0
    9906. 

  9906.  30 51  1  0  0  0  0
    9907. 

  9907.  31 32  1  0  0  0  0
    9908. 

  9908. M  END
    9909. 

  9909. >  <ID>
    9910. 

  9910. Gau_20
    9911. 

  9911. 

  9912. >  <Cathepsin L nM>
    9913. 

  9913. 15
    9914. 

  9914. 

  9915. >  <Cathepsin B nM>
    9916. 

  9916. 3453
    9917. 

  9917. 

  9918. > <FP:MACCS>
    9919. 

  9919. 22 41 42 46 51 54 55 58 59 60 61 64 66 67 73 79 81 87 88 90 92 95 97 102 104 106 107 110 111 112 117 124 125 130 131 132 133 134 136 142 145 146 147 148 151 153 154 155 156 158 159 161 162 163 164 165
    9920. 

  9920. 

  9921. $$$$
    9922. 

  9922. Rob_12
    9923. 

  9923.   MOE2005           2D
    9924. 

  9924. 

  9925.  66 68  0  0  1  0  0  0  0  0999 V2000
    9926. 

  9926.     0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9927. 

  9927.    -0.0010    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9928. 

  9928.    -2.5990    1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9929. 

  9929.    -1.3000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9930. 

  9930.    -1.3010    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9931. 

  9931.    -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9932. 

  9932.    -1.2980   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9933. 

  9933.    -2.5980   -0.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9934. 

  9934.    -2.5970   -3.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9935. 

  9935.    -2.5960   -4.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9936. 

  9936.    -2.5960   -6.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9937. 

  9937.     1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9938. 

  9938.     2.5980    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9939. 

  9939.     3.8970   -0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9940. 

  9940.     3.8980   -2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9941. 

  9941.     2.5990   -2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9942. 

  9942.     1.3000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9943. 

  9943.     5.1960    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9944. 

  9944.     7.7940    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9945. 

  9945.     6.4960   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9946. 

  9946.     5.1960    1.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9947. 

  9947.     7.7940    1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9948. 

  9948.     6.4940    2.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9949. 

  9949.    11.6900    2.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9950. 

  9950.    10.3900    4.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9951. 

  9951.     9.0920    3.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9952. 

  9952.    10.3920    1.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9953. 

  9953.     9.0920    2.2540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9954. 

  9954.    11.6900    3.7550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9955. 

  9955.    12.9890    4.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9956. 

  9956.    14.2880    3.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9957. 

  9957.    15.5870    4.5060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9958. 

  9958.     1.0390    0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9959. 

  9959.     1.1810    1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9960. 

  9960.     0.4090    2.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9961. 

  9961.    -3.1990    2.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9962. 

  9962.    -3.6380    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9963. 

  9963.    -1.9980    0.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9964. 

  9964.    -2.3390    2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9965. 

  9965.    -0.1010    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9966. 

  9966.    -1.3010    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9967. 

  9967.    -2.5010    3.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9968. 

  9968.    -0.2590   -2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9969. 

  9969.    -3.0080   -1.8740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9970. 

  9970.    -3.7780   -3.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9971. 

  9971.     2.5980    1.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9972. 

  9972.     4.9380   -2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9973. 

  9973.     2.6000   -4.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9974. 

  9974.     0.2610   -2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9975. 

  9975.     8.8340   -0.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9976. 

  9976.     6.4960   -1.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9977. 

  9977.     4.1560    2.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9978. 

  9978.     6.4940    3.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9979. 

  9979.    12.1010    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9980. 

  9980.    12.8720    2.4640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9981. 

  9981.     9.6190    5.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9982. 

  9982.    11.1620    5.4240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9983. 

  9983.     8.6810    4.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9984. 

  9984.     7.9100    3.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9985. 

  9985.    11.1630    0.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9986. 

  9986.     9.6210    0.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9987. 

  9987.    12.2170    5.4240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9988. 

  9988.    13.7600    5.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9989. 

  9989.    13.5170    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9990. 

  9990.    15.0600    2.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9991. 

  9991.    16.6260    3.9070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9992. 

  9992.   1 33  1  1  0  0  0
    9993. 

  9993.   1 12  1  0  0  0  0
    9994. 

  9994.   1  6  1  0  0  0  0
    9995. 

  9995.   1  2  1  6  0  0  0
    9996. 

  9996.   2 34  1  0  0  0  0
    9997. 

  9997.   2  4  1  0  0  0  0
    9998. 

  9998.   2 35  1  0  0  0  0
    9999. 

  9999.   3  4  1  0  0  0  0
    10000. 

  10000.   3 37  1  0  0  0  0
    10001. 

  10001.   3 36  1  0  0  0  0
    10002. 

  10002.   3 38  1  0  0  0  0
    10003. 

  10003.   4  5  1  0  0  0  0
    10004. 

  10004.   4 39  1  0  0  0  0
    10005. 

  10005.   5 41  1  0  0  0  0
    10006. 

  10006.   5 40  1  0  0  0  0
    10007. 

  10007.   5 42  1  0  0  0  0
    10008. 

  10008.   6  7  1  0  0  0  0
    10009. 

  10009.   6  8  2  0  0  0  0
    10010. 

  10010.   7  9  1  0  0  0  0
    10011. 

  10011.   7 43  1  0  0  0  0
    10012. 

  10012.   9 44  1  0  0  0  0
    10013. 

  10013.   9 10  1  0  0  0  0
    10014. 

  10014.   9 45  1  0  0  0  0
    10015. 

  10015.  10 11  3  0  0  0  0
    10016. 

  10016.  12 13  1  0  0  0  0
    10017. 

  10017.  12 17  2  0  0  0  0
    10018. 

  10018.  13 14  2  0  0  0  0
    10019. 

  10019.  13 46  1  0  0  0  0
    10020. 

  10020.  14 15  1  0  0  0  0
    10021. 

  10021.  14 18  1  0  0  0  0
    10022. 

  10022.  15 16  2  0  0  0  0
    10023. 

  10023.  15 47  1  0  0  0  0
    10024. 

  10024.  16 48  1  0  0  0  0
    10025. 

  10025.  16 17  1  0  0  0  0
    10026. 

  10026.  17 49  1  0  0  0  0
    10027. 

  10027.  18 20  2  0  0  0  0
    10028. 

  10028.  18 21  1  0  0  0  0
    10029. 

  10029.  19 20  1  0  0  0  0
    10030. 

  10030.  19 22  2  0  0  0  0
    10031. 

  10031.  19 50  1  0  0  0  0
    10032. 

  10032.  20 51  1  0  0  0  0
    10033. 

  10033.  21 52  1  0  0  0  0
    10034. 

  10034.  21 23  2  0  0  0  0
    10035. 

  10035.  22 23  1  0  0  0  0
    10036. 

  10036.  22 28  1  0  0  0  0
    10037. 

  10037.  23 53  1  0  0  0  0
    10038. 

  10038.  24 29  1  0  0  0  0
    10039. 

  10039.  24 54  1  0  0  0  0
    10040. 

  10040.  24 55  1  0  0  0  0
    10041. 

  10041.  24 27  1  0  0  0  0
    10042. 

  10042.  25 26  1  0  0  0  0
    10043. 

  10043.  25 56  1  0  0  0  0
    10044. 

  10044.  25 29  1  0  0  0  0
    10045. 

  10045.  25 57  1  0  0  0  0
    10046. 

  10046.  26 28  1  0  0  0  0
    10047. 

  10047.  26 58  1  0  0  0  0
    10048. 

  10048.  26 59  1  0  0  0  0
    10049. 

  10049.  27 28  1  0  0  0  0
    10050. 

  10050.  27 60  1  0  0  0  0
    10051. 

  10051.  27 61  1  0  0  0  0
    10052. 

  10052.  29 30  1  0  0  0  0
    10053. 

  10053.  30 62  1  0  0  0  0
    10054. 

  10054.  30 31  1  0  0  0  0
    10055. 

  10055.  30 63  1  0  0  0  0
    10056. 

  10056.  31 64  1  0  0  0  0
    10057. 

  10057.  31 32  1  0  0  0  0
    10058. 

  10058.  31 65  1  0  0  0  0
    10059. 

  10059.  32 66  1  0  0  0  0
    10060. 

  10060. M  END
    10061. 

  10061. >  <ID>
    10062. 

  10062. Rob_12
    10063. 

  10063. 

  10064. >  <Cathepsin L nM>
    10065. 

  10065. 140
    10066. 

  10066. 

  10067. >  <Cathepsin B nM>
    10068. 

  10068. 3343
    10069. 

  10069. 

  10070. > <FP:MACCS>
    10071. 

  10071. 41 62 74 75 79 82 85 86 90 91 92 95 98 100 104 109 110 111 115 117 118 120 121 122 125 128 129 131 132 133 135 137 138 139 142 145 147 148 149 151 153 154 155 156 157 158 159 160 161 162 163 164 165
    10072. 

  10072. 

  10073. $$$$
    10074. 

  10074. Ryd_04
    10075. 

  10075.   MOE2005           2D
    10076. 

  10076. 

  10077.  40 40  0  0  1  0  0  0  0  0999 V2000
    10078. 

  10078.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10079. 

  10079.    -0.7560    1.2960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10080. 

  10080.     2.2480   -1.4450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    10081. 

  10081.     2.5670   -2.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10082. 

  10082.     3.7070   -2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10083. 

  10083.     3.0600   -4.0050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10084. 

  10084.     3.4080   -1.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10085. 

  10085.     0.7560   -1.2960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10086. 

  10086.     0.1520   -2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10087. 

  10087.     1.2720   -3.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10088. 

  10088.     1.9820   -4.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10089. 

  10089.     0.3840   -4.4740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10090. 

  10090.    -0.8900   -2.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10091. 

  10091.    -0.5490   -3.6430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10092. 

  10092.     3.2470   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10093. 

  10093.     2.7770    1.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10094. 

  10094.     5.7140    0.4880    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    10095. 

  10095.     5.2440    1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10096. 

  10096.     4.1870    1.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10097. 

  10097.     4.5010    2.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10098. 

  10098.     6.2430    3.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10099. 

  10099.     7.0910    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10100. 

  10100.     5.7720    4.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10101. 

  10101.     6.9120    4.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10102. 

  10102.     5.3960    5.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10103. 

  10103.     4.6330    4.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10104. 

  10104.     7.7110    2.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10105. 

  10105.     7.4670    1.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10106. 

  10106.     8.8860    2.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10107. 

  10107.     7.9550    3.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10108. 

  10108.     6.0250   -0.6710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10109. 

  10109.     4.7160   -0.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10110. 

  10110.     5.0920   -1.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10111. 

  10111.     7.1830    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10112. 

  10112.     8.1810    1.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10113. 

  10113.     9.6500    0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10114. 

  10114.     9.4060   -0.1780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10115. 

  10115.    10.8250    0.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10116. 

  10116.     9.8940    2.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10117. 

  10117.     7.6530   -1.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10118. 

  10118.   1  8  1  0  0  0  0
    10119. 

  10119.   1  2  3  0  0  0  0
    10120. 

  10120.   3  8  1  0  0  0  0
    10121. 

  10121.   3 15  1  0  0  0  0
    10122. 

  10122.   3  7  1  0  0  0  0
    10123. 

  10123.   3  4  1  0  0  0  0
    10124. 

  10124.   4  6  1  0  0  0  0
    10125. 

  10125.   4  5  1  0  0  0  0
    10126. 

  10126.   4 10  1  0  0  0  0
    10127. 

  10127.   8  9  1  0  0  0  0
    10128. 

  10128.   9 13  1  0  0  0  0
    10129. 

  10129.   9 14  1  0  0  0  0
    10130. 

  10130.   9 10  1  0  0  0  0
    10131. 

  10131.  10 11  1  0  0  0  0
    10132. 

  10132.  10 12  1  0  0  0  0
    10133. 

  10133.  15 16  2  0  0  0  0
    10134. 

  10134.  15 32  1  0  0  0  0
    10135. 

  10135.  17 32  1  0  0  0  0
    10136. 

  10136.  17 34  1  0  0  0  0
    10137. 

  10137.  17 31  1  0  0  0  0
    10138. 

  10138.  17 18  1  0  0  0  0
    10139. 

  10139.  18 20  1  0  0  0  0
    10140. 

  10140.  18 19  1  0  0  0  0
    10141. 

  10141.  18 21  1  0  0  0  0
    10142. 

  10142.  21 23  1  0  0  0  0
    10143. 

  10143.  21 22  1  0  0  0  0
    10144. 

  10144.  21 27  1  0  0  0  0
    10145. 

  10145.  23 25  1  0  0  0  0
    10146. 

  10146.  23 24  1  0  0  0  0
    10147. 

  10147.  23 26  1  0  0  0  0
    10148. 

  10148.  27 29  1  0  0  0  0
    10149. 

  10149.  27 28  1  0  0  0  0
    10150. 

  10150.  27 30  1  0  0  0  0
    10151. 

  10151.  32 33  1  0  0  0  0
    10152. 

  10152.  34 35  1  0  0  0  0
    10153. 

  10153.  34 40  2  0  0  0  0
    10154. 

  10154.  35 36  1  0  0  0  0
    10155. 

  10155.  36 38  1  0  0  0  0
    10156. 

  10156.  36 37  1  0  0  0  0
    10157. 

  10157.  36 39  1  0  0  0  0
    10158. 

  10158. M  END
    10159. 

  10159. >  <ID>
    10160. 

  10160. Ryd_04
    10161. 

  10161. 

  10162. >  <Cathepsin L nM>
    10163. 

  10163. 1200
    10164. 

  10164. 

  10165. >  <Cathepsin B nM>
    10166. 

  10166. 3300
    10167. 

  10167. 

  10168. > <FP:MACCS>
    10169. 

  10169. 41 74 75 77 79 83 85 90 91 92 93 95 96 100 104 108 110 111 115 117 121 122 123 126 128 129 136 137 141 142 146 147 148 149 150 151 153 154 155 156 157 158 159 160 161 164 165
    10170. 

  10170. 

  10171. $$$$
    10172. 

  10172. Tri39h
    10173. 

  10173.   MOE2005           2D
    10174. 

  10174. 

  10175.  55 58  0  0  0  0  0  0  0  0999 V2000
    10176. 

  10176.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10177. 

  10177.     0.7580   -1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10178. 

  10178.     1.5160   -2.5890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10179. 

  10179.     2.1160   -2.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10180. 

  10180.     0.7740   -3.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10181. 

  10181.     2.2740   -3.8840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10182. 

  10182.     2.5700   -3.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10183. 

  10183.     0.7830   -5.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10184. 

  10184.     1.9630   -5.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10185. 

  10185.     1.2000   -6.5180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10186. 

  10186.    -0.5120   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10187. 

  10187.     0.2650   -7.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10188. 

  10188.    -1.2780   -7.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10189. 

  10189.    -1.8160   -5.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10190. 

  10190.    -2.2190   -6.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10191. 

  10191.    -2.9980   -5.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10192. 

  10192.    -1.8240   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10193. 

  10193.    -3.0050   -4.1240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10194. 

  10194.    -2.2420   -2.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10195. 

  10195.    -0.5300   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10196. 

  10196.     0.2360   -2.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10197. 

  10197.    -1.3070   -2.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10198. 

  10198.     3.0310   -5.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10199. 

  10199.     4.5310   -5.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10200. 

  10200.     2.2890   -6.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10201. 

  10201.     5.2890   -6.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10202. 

  10202.     4.6950   -7.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10203. 

  10203.     6.7890   -6.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10204. 

  10204.     7.3950   -7.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10205. 

  10205.     7.5310   -5.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10206. 

  10206.     9.0310   -5.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10207. 

  10207.     6.7730   -3.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10208. 

  10208.     7.3670   -2.8140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10209. 

  10209.     5.2730   -3.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10210. 

  10210.     4.6670   -2.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10211. 

  10211.     9.9060   -3.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10212. 

  10212.     9.5280   -2.7840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10213. 

  10213.    11.3350   -4.3780    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    10214. 

  10214.    12.3010   -3.6670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10215. 

  10215.    11.3440   -5.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10216. 

  10216.     9.9200   -6.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10217. 

  10217.    12.5630   -6.7520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10218. 

  10218.    13.9290   -6.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10219. 

  10219.    13.2520   -5.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10220. 

  10220.    14.7880   -5.2950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10221. 

  10221.    15.1480   -7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10222. 

  10222.    15.6680   -5.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10223. 

  10223.    16.3040   -7.3320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10224. 

  10224.    15.0000   -8.5010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10225. 

  10225.    13.6340   -9.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10226. 

  10226.    14.3110  -10.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10227. 

  10227.    12.7760   -9.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10228. 

  10228.    12.4150   -8.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10229. 

  10229.    11.2600   -7.9210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10230. 

  10230.    11.8960   -9.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10231. 

  10231.   1  2  3  0  0  0  0
    10232. 

  10232.   2  3  1  0  0  0  0
    10233. 

  10233.   3  4  1  0  0  0  0
    10234. 

  10234.   3  5  1  0  0  0  0
    10235. 

  10235.   5  8  1  0  0  0  0
    10236. 

  10236.   5  6  1  0  0  0  0
    10237. 

  10237.   5 20  1  0  0  0  0
    10238. 

  10238.   6  7  1  0  0  0  0
    10239. 

  10239.   6 23  1  0  0  0  0
    10240. 

  10240.   8 10  1  0  0  0  0
    10241. 

  10241.   8  9  1  0  0  0  0
    10242. 

  10242.   8 11  1  0  0  0  0
    10243. 

  10243.  11 13  1  0  0  0  0
    10244. 

  10244.  11 12  1  0  0  0  0
    10245. 

  10245.  11 14  1  0  0  0  0
    10246. 

  10246.  14 16  1  0  0  0  0
    10247. 

  10247.  14 15  1  0  0  0  0
    10248. 

  10248.  14 17  1  0  0  0  0
    10249. 

  10249.  17 19  1  0  0  0  0
    10250. 

  10250.  17 18  1  0  0  0  0
    10251. 

  10251.  17 20  1  0  0  0  0
    10252. 

  10252.  20 21  1  0  0  0  0
    10253. 

  10253.  20 22  1  0  0  0  0
    10254. 

  10254.  23 24  1  0  0  0  0
    10255. 

  10255.  23 25  2  0  0  0  0
    10256. 

  10256.  24 26  1  0  0  0  0
    10257. 

  10257.  24 34  2  0  0  0  0
    10258. 

  10258.  26 27  1  0  0  0  0
    10259. 

  10259.  26 28  2  0  0  0  0
    10260. 

  10260.  28 29  1  0  0  0  0
    10261. 

  10261.  28 30  1  0  0  0  0
    10262. 

  10262.  30 31  1  0  0  0  0
    10263. 

  10263.  30 32  2  0  0  0  0
    10264. 

  10264.  31 36  2  0  0  0  0
    10265. 

  10265.  31 41  1  0  0  0  0
    10266. 

  10266.  32 33  1  0  0  0  0
    10267. 

  10267.  32 34  1  0  0  0  0
    10268. 

  10268.  34 35  1  0  0  0  0
    10269. 

  10269.  36 37  1  0  0  0  0
    10270. 

  10270.  36 38  1  0  0  0  0
    10271. 

  10271.  38 39  1  0  0  0  0
    10272. 

  10272.  38 40  1  0  0  0  0
    10273. 

  10273.  40 42  1  0  0  0  0
    10274. 

  10274.  40 41  2  0  0  0  0
    10275. 

  10275.  42 43  1  0  0  0  0
    10276. 

  10276.  42 53  1  0  0  0  0
    10277. 

  10277.  43 45  1  0  0  0  0
    10278. 

  10278.  43 44  1  0  0  0  0
    10279. 

  10279.  43 46  1  0  0  0  0
    10280. 

  10280.  46 48  1  0  0  0  0
    10281. 

  10281.  46 47  1  0  0  0  0
    10282. 

  10282.  46 49  1  0  0  0  0
    10283. 

  10283.  49 50  1  0  0  0  0
    10284. 

  10284.  50 52  1  0  0  0  0
    10285. 

  10285.  50 51  1  0  0  0  0
    10286. 

  10286.  50 53  1  0  0  0  0
    10287. 

  10287.  53 54  1  0  0  0  0
    10288. 

  10288.  53 55  1  0  0  0  0
    10289. 

  10289. M  CHG  1  38   1
    10290. 

  10290. M  END
    10291. 

  10291. >  <ID>
    10292. 

  10292. Tri39h
    10293. 

  10293. 

  10294. >  <Cathepsin L nM>
    10295. 

  10295. 74000
    10296. 

  10296. 

  10297. >  <Cathepsin B nM>
    10298. 

  10298. 3100
    10299. 

  10299. 

  10300. > <FP:MACCS>
    10301. 

  10301. 36 38 41 43 47 49 57 62 65 75 77 80 81 83 85 86 88 90 91 92 95 96 97 98 100 104 106 109 110 111 112 117 118 120 121 122 125 128 129 131 132 133 135 137 138 142 145 147 148 151 153 154 156 157 158 159 161 162 163 164 165
    10302. 

  10302. 

  10303. $$$$
    10304. 

  10304. Tri39e
    10305. 

  10305.   MOE2005           2D
    10306. 

  10306. 

  10307.  56 59  0  0  1  0  0  0  0  0999 V2000
    10308. 

  10308.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10309. 

  10309.     0.7420   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10310. 

  10310.     1.4840   -2.6070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10311. 

  10311.     2.0840   -2.6110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10312. 

  10312.     0.7260   -3.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10313. 

  10313.     2.2260   -3.9110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10314. 

  10314.     2.5300   -3.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10315. 

  10315.     0.7170   -5.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10316. 

  10316.     1.9000   -5.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10317. 

  10317.     1.1210   -6.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10318. 

  10318.    -0.5860   -6.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10319. 

  10319.     0.1800   -7.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10320. 

  10320.    -1.3630   -7.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10321. 

  10321.    -1.8810   -5.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10322. 

  10322.    -2.2980   -6.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10323. 

  10323.    -3.0610   -5.1700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10324. 

  10324.    -1.8720   -3.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10325. 

  10325.    -3.0550   -4.0870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10326. 

  10326.    -2.2750   -2.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10327. 

  10327.    -0.5680   -3.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10328. 

  10328.     0.2090   -2.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10329. 

  10329.    -1.3340   -2.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10330. 

  10330.     2.9680   -5.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10331. 

  10331.     4.4680   -5.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10332. 

  10332.     2.2110   -6.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10333. 

  10333.     5.2110   -6.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10334. 

  10334.     4.6040   -7.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10335. 

  10335.     6.7110   -6.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10336. 

  10336.     7.3040   -7.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10337. 

  10337.     7.4680   -5.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10338. 

  10338.     8.9680   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10339. 

  10339.     6.7260   -3.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10340. 

  10340.     7.3330   -2.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10341. 

  10341.     5.2260   -3.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10342. 

  10342.     4.6330   -2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10343. 

  10343.     9.8570   -4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10344. 

  10344.     9.4940   -2.8990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10345. 

  10345.    11.2810   -4.5140    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    10346. 

  10346.    12.2560   -3.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10347. 

  10347.    11.2720   -6.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10348. 

  10348.    12.4800   -6.9040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10349. 

  10349.     9.8430   -6.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10350. 

  10350.    12.4710   -8.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10351. 

  10351.    11.2780   -8.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10352. 

  10352.    12.2150   -9.5760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10353. 

  10353.    13.8950   -8.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10354. 

  10354.    13.4000   -9.9690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10355. 

  10355.    14.9300   -9.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10356. 

  10356.    14.7840   -7.6680    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    10357. 

  10357.    15.3840   -8.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10358. 

  10358.    16.2840   -7.6760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10359. 

  10359.    16.8780   -8.7190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10360. 

  10360.    16.8900   -6.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10361. 

  10361.    13.9100   -6.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10362. 

  10362.    13.4280   -5.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10363. 

  10363.    14.9520   -5.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10364. 

  10364.   1  2  3  0  0  0  0
    10365. 

  10365.   2  3  1  0  0  0  0
    10366. 

  10366.   3  4  1  0  0  0  0
    10367. 

  10367.   3  5  1  0  0  0  0
    10368. 

  10368.   5  8  1  0  0  0  0
    10369. 

  10369.   5  6  1  0  0  0  0
    10370. 

  10370.   5 20  1  0  0  0  0
    10371. 

  10371.   6  7  1  0  0  0  0
    10372. 

  10372.   6 23  1  0  0  0  0
    10373. 

  10373.   8 10  1  0  0  0  0
    10374. 

  10374.   8  9  1  0  0  0  0
    10375. 

  10375.   8 11  1  0  0  0  0
    10376. 

  10376.  11 13  1  0  0  0  0
    10377. 

  10377.  11 12  1  0  0  0  0
    10378. 

  10378.  11 14  1  0  0  0  0
    10379. 

  10379.  14 16  1  0  0  0  0
    10380. 

  10380.  14 15  1  0  0  0  0
    10381. 

  10381.  14 17  1  0  0  0  0
    10382. 

  10382.  17 19  1  0  0  0  0
    10383. 

  10383.  17 18  1  0  0  0  0
    10384. 

  10384.  17 20  1  0  0  0  0
    10385. 

  10385.  20 21  1  0  0  0  0
    10386. 

  10386.  20 22  1  0  0  0  0
    10387. 

  10387.  23 24  1  0  0  0  0
    10388. 

  10388.  23 25  2  0  0  0  0
    10389. 

  10389.  24 26  1  0  0  0  0
    10390. 

  10390.  24 34  2  0  0  0  0
    10391. 

  10391.  26 27  1  0  0  0  0
    10392. 

  10392.  26 28  2  0  0  0  0
    10393. 

  10393.  28 29  1  0  0  0  0
    10394. 

  10394.  28 30  1  0  0  0  0
    10395. 

  10395.  30 31  1  0  0  0  0
    10396. 

  10396.  30 32  2  0  0  0  0
    10397. 

  10397.  31 36  2  0  0  0  0
    10398. 

  10398.  31 42  1  0  0  0  0
    10399. 

  10399.  32 33  1  0  0  0  0
    10400. 

  10400.  32 34  1  0  0  0  0
    10401. 

  10401.  34 35  1  0  0  0  0
    10402. 

  10402.  36 37  1  0  0  0  0
    10403. 

  10403.  36 38  1  0  0  0  0
    10404. 

  10404.  38 39  1  0  0  0  0
    10405. 

  10405.  38 40  1  0  0  0  0
    10406. 

  10406.  40 41  1  0  0  0  0
    10407. 

  10407.  40 42  2  0  0  0  0
    10408. 

  10408.  41 43  1  0  0  0  0
    10409. 

  10409.  41 54  1  0  0  0  0
    10410. 

  10410.  43 45  1  0  0  0  0
    10411. 

  10411.  43 44  1  0  0  0  0
    10412. 

  10412.  43 46  1  0  0  0  0
    10413. 

  10413.  46 48  1  0  0  0  0
    10414. 

  10414.  46 47  1  0  0  0  0
    10415. 

  10415.  46 49  1  0  0  0  0
    10416. 

  10416.  49 51  1  0  0  0  0
    10417. 

  10417.  49 50  1  0  0  0  0
    10418. 

  10418.  49 54  1  0  0  0  0
    10419. 

  10419.  51 52  1  0  0  0  0
    10420. 

  10420.  51 53  1  0  0  0  0
    10421. 

  10421.  54 55  1  0  0  0  0
    10422. 

  10422.  54 56  1  0  0  0  0
    10423. 

  10423. M  CHG  1  38   1
    10424. 

  10424. M  END
    10425. 

  10425. >  <ID>
    10426. 

  10426. Tri39e
    10427. 

  10427. 

  10428. >  <Cathepsin L nM>
    10429. 

  10429. 7500
    10430. 

  10430. 

  10431. >  <Cathepsin B nM>
    10432. 

  10432. 3000
    10433. 

  10433. 

  10434. > <FP:MACCS>
    10435. 

  10435. 36 38 41 43 47 49 62 65 75 77 79 80 81 83 84 85 86 88 90 91 92 96 97 100 104 106 110 111 112 117 118 120 121 122 125 128 129 131 133 135 137 138 142 145 147 148 151 153 154 156 158 161 162 163 164 165
    10436. 

  10436. 

  10437. $$$$
    10438. 

  10438. Bla_11
    10439. 

  10439.   MOE2005           2D
    10440. 

  10440. 

  10441.  43 43  0  0  1  0  0  0  0  0999 V2000
    10442. 

  10442.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    10443. 

  10443.    -0.7590    1.2940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10444. 

  10444.    -0.7410   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10445. 

  10445.    -1.4820   -2.6080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10446. 

  10446.     0.5630   -2.0450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10447. 

  10447.    -2.0450   -0.5630    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10448. 

  10448.    -2.2590    1.2840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    10449. 

  10449.    -3.0180    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10450. 

  10450.    -4.5180    2.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10451. 

  10451.    -2.2770    3.8820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10452. 

  10452.    -3.0360    5.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10453. 

  10453.    -2.2940    6.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10454. 

  10454.    -1.5530    7.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10455. 

  10455.    -3.0000   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10456. 

  10456.    -4.5000   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10457. 

  10457.    -5.2410   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10458. 

  10458.    -5.2590    1.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10459. 

  10459.     1.5000    0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10460. 

  10460.     2.2590   -1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10461. 

  10461.     3.7590   -1.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10462. 

  10462.     4.5000    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10463. 

  10463.     3.7410    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10464. 

  10464.     2.2410    1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10465. 

  10465.     6.0000    0.0410    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    10466. 

  10466.     0.6000    1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10467. 

  10467.    -0.1660    2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10468. 

  10468.    -1.6590    2.3230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10469. 

  10469.    -1.0770    3.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10470. 

  10470.    -3.9490    4.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10471. 

  10471.    -3.9600    5.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10472. 

  10472.    -2.4350   -0.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10473. 

  10473.    -3.2000   -1.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10474. 

  10474.    -5.7000   -0.0310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10475. 

  10475.    -6.2840   -0.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10476. 

  10476.    -5.8340   -2.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10477. 

  10477.    -4.1980   -1.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10478. 

  10478.    -4.2240    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10479. 

  10479.    -5.8660    2.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10480. 

  10480.    -6.2940    0.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10481. 

  10481.     1.6660   -2.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10482. 

  10482.     4.3660   -2.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10483. 

  10483.     4.3340    2.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10484. 

  10484.     1.6340    2.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10485. 

  10485.   1 25  1  6  0  0  0
    10486. 

  10486.   1 18  1  0  0  0  0
    10487. 

  10487.   1  3  1  0  0  0  0
    10488. 

  10488.   1  2  1  1  0  0  0
    10489. 

  10489.   2  7  1  0  0  0  0
    10490. 

  10490.   2 26  1  0  0  0  0
    10491. 

  10491.   3  5  1  0  0  0  0
    10492. 

  10492.   3  4  1  0  0  0  0
    10493. 

  10493.   3  6  1  0  0  0  0
    10494. 

  10494.   7 14  1  1  0  0  0
    10495. 

  10495.   7  8  1  0  0  0  0
    10496. 

  10496.   7 27  1  6  0  0  0
    10497. 

  10497.   8  9  2  0  0  0  0
    10498. 

  10498.   8 10  1  0  0  0  0
    10499. 

  10499.  10 11  1  0  0  0  0
    10500. 

  10500.  10 28  1  0  0  0  0
    10501. 

  10501.  11 29  1  0  0  0  0
    10502. 

  10502.  11 12  1  0  0  0  0
    10503. 

  10503.  11 30  1  0  0  0  0
    10504. 

  10504.  12 13  3  0  0  0  0
    10505. 

  10505.  14 31  1  0  0  0  0
    10506. 

  10506.  14 15  1  0  0  0  0
    10507. 

  10507.  14 32  1  0  0  0  0
    10508. 

  10508.  15 17  1  0  0  0  0
    10509. 

  10509.  15 16  1  0  0  0  0
    10510. 

  10510.  15 33  1  0  0  0  0
    10511. 

  10511.  16 35  1  0  0  0  0
    10512. 

  10512.  16 34  1  0  0  0  0
    10513. 

  10513.  16 36  1  0  0  0  0
    10514. 

  10514.  17 38  1  0  0  0  0
    10515. 

  10515.  17 37  1  0  0  0  0
    10516. 

  10516.  17 39  1  0  0  0  0
    10517. 

  10517.  18 19  1  0  0  0  0
    10518. 

  10518.  18 23  2  0  0  0  0
    10519. 

  10519.  19 20  2  0  0  0  0
    10520. 

  10520.  19 40  1  0  0  0  0
    10521. 

  10521.  20 21  1  0  0  0  0
    10522. 

  10522.  20 41  1  0  0  0  0
    10523. 

  10523.  21 22  2  0  0  0  0
    10524. 

  10524.  21 24  1  0  0  0  0
    10525. 

  10525.  22 42  1  0  0  0  0
    10526. 

  10526.  22 23  1  0  0  0  0
    10527. 

  10527.  23 43  1  0  0  0  0
    10528. 

  10528. M  END
    10529. 

  10529. >  <ID>
    10530. 

  10530. Bla_11
    10531. 

  10531. 

  10532. >  <Cathepsin L nM>
    10533. 

  10533. 13
    10534. 

  10534. 

  10535. >  <Cathepsin B nM>
    10536. 

  10536. 2993
    10537. 

  10537. 

  10538. > <FP:MACCS>
    10539. 

  10539. 41 42 46 54 74 79 82 87 90 91 92 95 100 104 106 107 110 111 112 115 117 128 131 134 142 149 151 153 154 155 156 158 160 161 162 163 164 165
    10540. 

  10540. 

  10541. $$$$
    10542. 

  10542. Gau_13
    10543. 

  10543.   MOE2005           2D
    10544. 

  10544. 

  10545.  54 56  0  0  1  0  0  0  0  0999 V2000
    10546. 

  10546.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10547. 

  10547.     2.2470   -1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10548. 

  10548.     0.7470   -1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10549. 

  10549.     0.7530    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10550. 

  10550.     2.2530    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10551. 

  10551.     3.0000   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10552. 

  10552.     4.5000   -0.0120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    10553. 

  10553.     5.2470   -1.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10554. 

  10554.     3.9460   -2.0590    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10555. 

  10555.     6.5480   -0.5660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10556. 

  10556.     5.9930   -2.6140    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10557. 

  10557.     5.2530    1.2850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10558. 

  10558.     6.7530    1.2810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    10559. 

  10559.     7.5000   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10560. 

  10560.     7.5070    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10561. 

  10561.     9.0070    2.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10562. 

  10562.     6.7600    3.8800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10563. 

  10563.     6.0660    5.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10564. 

  10564.     4.6180    5.9610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10565. 

  10565.     7.5140    5.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10566. 

  10566.     9.0000    4.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10567. 

  10567.     8.4300    6.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10568. 

  10568.     9.0000   -0.0240    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    10569. 

  10569.     9.0040    1.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10570. 

  10570.     8.9960   -1.5240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10571. 

  10571.    10.5000   -0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10572. 

  10572.    11.2470   -1.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10573. 

  10573.    11.2400   -3.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10574. 

  10574.    10.4930   -2.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10575. 

  10575.    12.7470   -1.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10576. 

  10576.    13.4930   -2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10577. 

  10577.    12.7400   -3.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10578. 

  10578.    13.4860   -5.2310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10579. 

  10579.    -1.2000    0.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10580. 

  10580.     2.8440   -2.3460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10581. 

  10581.     0.1440   -2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10582. 

  10582.     0.1560    2.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10583. 

  10583.     2.8560    2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10584. 

  10584.     3.9000    1.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10585. 

  10585.     4.6560    2.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10586. 

  10586.     6.1530    2.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10587. 

  10587.     6.9360   -0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10588. 

  10588.     7.7050   -1.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10589. 

  10589.     5.5600    3.8830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10590. 

  10590.     9.0490    3.7780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10591. 

  10591.    10.1720    5.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10592. 

  10592.     7.6210    7.2510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10593. 

  10593.     9.4440    7.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10594. 

  10594.    10.2950    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10595. 

  10595.    11.6290    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10596. 

  10596.    10.6370   -4.9640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10597. 

  10597.     9.2930   -2.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10598. 

  10598.    13.3490   -0.2950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10599. 

  10599.    14.6930   -2.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10600. 

  10600.   1 34  1  0  0  0  0
    10601. 

  10601.   1  4  2  0  0  0  0
    10602. 

  10602.   1  3  1  0  0  0  0
    10603. 

  10603.   2  6  1  0  0  0  0
    10604. 

  10604.   2 35  1  0  0  0  0
    10605. 

  10605.   2  3  2  0  0  0  0
    10606. 

  10606.   3 36  1  0  0  0  0
    10607. 

  10607.   4  5  1  0  0  0  0
    10608. 

  10608.   4 37  1  0  0  0  0
    10609. 

  10609.   5  6  2  0  0  0  0
    10610. 

  10610.   5 38  1  0  0  0  0
    10611. 

  10611.   6  7  1  0  0  0  0
    10612. 

  10612.   7 12  1  0  0  0  0
    10613. 

  10613.   7  8  1  6  0  0  0
    10614. 

  10614.   7 39  1  1  0  0  0
    10615. 

  10615.   8 10  1  0  0  0  0
    10616. 

  10616.   8  9  1  0  0  0  0
    10617. 

  10617.   8 11  1  0  0  0  0
    10618. 

  10618.  12 13  1  0  0  0  0
    10619. 

  10619.  12 40  1  0  0  0  0
    10620. 

  10620.  13 15  1  0  0  0  0
    10621. 

  10621.  13 14  1  6  0  0  0
    10622. 

  10622.  13 41  1  1  0  0  0
    10623. 

  10623.  14 42  1  0  0  0  0
    10624. 

  10624.  14 23  1  0  0  0  0
    10625. 

  10625.  14 43  1  0  0  0  0
    10626. 

  10626.  15 16  2  0  0  0  0
    10627. 

  10627.  15 17  1  0  0  0  0
    10628. 

  10628.  17 20  1  0  0  0  0
    10629. 

  10629.  17 44  1  0  0  0  0
    10630. 

  10630.  18 20  1  0  0  0  0
    10631. 

  10631.  18 19  3  0  0  0  0
    10632. 

  10632.  20 21  1  0  0  0  0
    10633. 

  10633.  20 22  1  0  0  0  0
    10634. 

  10634.  21 45  1  0  0  0  0
    10635. 

  10635.  21 46  1  0  0  0  0
    10636. 

  10636.  21 22  1  0  0  0  0
    10637. 

  10637.  22 47  1  0  0  0  0
    10638. 

  10638.  22 48  1  0  0  0  0
    10639. 

  10639.  23 25  2  0  0  0  0
    10640. 

  10640.  23 24  2  0  0  0  0
    10641. 

  10641.  23 26  1  0  0  0  0
    10642. 

  10642.  26 49  1  0  0  0  0
    10643. 

  10643.  26 27  1  0  0  0  0
    10644. 

  10644.  26 50  1  0  0  0  0
    10645. 

  10645.  27 29  1  0  0  0  0
    10646. 

  10646.  27 30  2  0  0  0  0
    10647. 

  10647.  28 29  2  0  0  0  0
    10648. 

  10648.  28 32  1  0  0  0  0
    10649. 

  10649.  28 51  1  0  0  0  0
    10650. 

  10650.  29 52  1  0  0  0  0
    10651. 

  10651.  30 53  1  0  0  0  0
    10652. 

  10652.  30 31  1  0  0  0  0
    10653. 

  10653.  31 32  2  0  0  0  0
    10654. 

  10654.  31 54  1  0  0  0  0
    10655. 

  10655.  32 33  1  0  0  0  0
    10656. 

  10656. M  END
    10657. 

  10657. >  <ID>
    10658. 

  10658. Gau_13
    10659. 

  10659. 

  10660. >  <Cathepsin L nM>
    10661. 

  10661. 86
    10662. 

  10662. 

  10663. >  <Cathepsin B nM>
    10664. 

  10664. 2777
    10665. 

  10665. 

  10666. > <FP:MACCS>
    10667. 

  10667. 22 41 42 51 54 55 58 60 61 66 67 73 79 86 87 88 90 91 92 95 97 102 104 106 107 110 111 112 117 124 125 130 131 132 133 134 136 138 142 145 146 147 148 151 153 154 155 156 158 159 161 162 163 164 165
    10668. 

  10668. 

  10669. $$$$
    10670. 

  10670. Ale_26
    10671. 

  10671.   MOE2005           2D
    10672. 

  10672. 

  10673.  91 93  0  0  1  0  0  0  0  0999 V2000
    10674. 

  10674.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10675. 

  10675.     0.7390    1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10676. 

  10676.     2.2390    1.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10677. 

  10677.     3.0000    0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10678. 

  10678.     2.2610   -1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10679. 

  10679.     0.7610   -1.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10680. 

  10680.     0.0230   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10681. 

  10681.    -1.4770   -2.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10682. 

  10682.    -2.2160   -3.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10683. 

  10683.    -1.4550   -5.2090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10684. 

  10684.    -3.7160   -3.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10685. 

  10685.    -4.4540   -5.2350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    10686. 

  10686.    -3.6930   -6.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10687. 

  10687.    -4.4320   -7.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10688. 

  10688.    -3.6700   -9.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10689. 

  10689.    -5.9320   -7.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10690. 

  10690.    -5.9540   -5.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10691. 

  10691.    -6.7160   -3.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10692. 

  10692.    -6.6930   -6.5540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10693. 

  10693.    -4.4770   -2.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10694. 

  10694.    -8.1930   -6.5670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    10695. 

  10695.    -9.0640   -7.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10696. 

  10696.    -9.0850   -5.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10697. 

  10697.   -10.4950   -7.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10698. 

  10698.    -8.5880   -9.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10699. 

  10699.   -10.5080   -5.8370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10700. 

  10700.   -11.7290   -4.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10701. 

  10701.   -11.5850   -3.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10702. 

  10702.   -13.0940   -5.5880    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    10703. 

  10703.   -13.2380   -7.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10704. 

  10704.   -14.7460   -9.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10705. 

  10705.   -14.6030   -7.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10706. 

  10706.   -15.8240   -6.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10707. 

  10707.   -14.3150   -4.7170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10708. 

  10708.   -15.6800   -5.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10709. 

  10709.   -14.1710   -3.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10710. 

  10710.   -12.8060   -2.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10711. 

  10711.   -15.3920   -2.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10712. 

  10712.   -15.2490   -0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10713. 

  10713.   -16.4700    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10714. 

  10714.   -16.3260    1.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10715. 

  10715.   -17.5470    2.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10716. 

  10716.   -18.9120    1.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10717. 

  10717.   -19.0560    0.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10718. 

  10718.   -17.8350   -0.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10719. 

  10719.    -1.2000   -0.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10720. 

  10720.     0.1300    2.3400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10721. 

  10721.     2.8300    2.3630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10722. 

  10722.     4.2000    0.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10723. 

  10723.     2.8700   -2.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10724. 

  10724.     1.1540   -2.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10725. 

  10725.    -0.1750   -3.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10726. 

  10726.    -3.2540   -5.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10727. 

  10727.    -2.7810   -5.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10728. 

  10728.    -2.7670   -7.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10729. 

  10729.    -5.0320   -8.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10730. 

  10730.    -4.7040   -9.7350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10731. 

  10731.    -3.0620  -10.1600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10732. 

  10732.    -2.6370   -8.5170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10733. 

  10733.    -5.9420   -6.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10734. 

  10734.    -7.1320   -7.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10735. 

  10735.    -5.9210   -9.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10736. 

  10736.    -6.3890   -7.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10737. 

  10737.    -3.4430   -2.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10738. 

  10738.    -5.0860   -1.6030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10739. 

  10739.    -5.5110   -3.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10740. 

  10740.    -7.5930   -7.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10741. 

  10741.    -8.0510   -4.7520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10742. 

  10742.    -9.5830   -4.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10743. 

  10743.   -10.7340   -8.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10744. 

  10744.   -11.0920   -7.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10745. 

  10745.   -12.2450   -6.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10746. 

  10746.   -12.6400   -7.0340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10747. 

  10747.   -12.9370   -8.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10748. 

  10748.   -15.9410   -9.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10749. 

  10749.   -14.8610  -10.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10750. 

  10750.   -13.5520   -9.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10751. 

  10751.   -15.6420   -8.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10752. 

  10752.   -15.1270   -5.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10753. 

  10753.   -16.3120   -6.4840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10754. 

  10754.   -16.5210   -7.8090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10755. 

  10755.   -16.1780   -4.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10756. 

  10756.   -16.2260   -5.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10757. 

  10757.   -15.1820   -6.4310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10758. 

  10758.   -14.0920   -1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10759. 

  10759.   -14.7320    0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10760. 

  10760.   -15.2340    2.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10761. 

  10761.   -17.4320    3.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10762. 

  10762.   -19.8890    2.4500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10763. 

  10763.   -20.1480   -0.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10764. 

  10764.   -17.9500   -1.8050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10765. 

  10765.   1 46  1  0  0  0  0
    10766. 

  10766.   1  6  2  0  0  0  0
    10767. 

  10767.   1  2  1  0  0  0  0
    10768. 

  10768.   2 47  1  0  0  0  0
    10769. 

  10769.   2  3  2  0  0  0  0
    10770. 

  10770.   3  4  1  0  0  0  0
    10771. 

  10771.   3 48  1  0  0  0  0
    10772. 

  10772.   4  5  2  0  0  0  0
    10773. 

  10773.   4 49  1  0  0  0  0
    10774. 

  10774.   5  6  1  0  0  0  0
    10775. 

  10775.   5 50  1  0  0  0  0
    10776. 

  10776.   6  7  1  0  0  0  0
    10777. 

  10777.   7 51  1  0  0  0  0
    10778. 

  10778.   7  8  1  0  0  0  0
    10779. 

  10779.   7 52  1  0  0  0  0
    10780. 

  10780.   8  9  1  0  0  0  0
    10781. 

  10781.   9 10  2  0  0  0  0
    10782. 

  10782.   9 11  1  0  0  0  0
    10783. 

  10783.  11 12  1  0  0  0  0
    10784. 

  10784.  11 20  1  0  0  0  0
    10785. 

  10785.  12 17  1  0  0  0  0
    10786. 

  10786.  12 13  1  1  0  0  0
    10787. 

  10787.  12 53  1  6  0  0  0
    10788. 

  10788.  13 54  1  0  0  0  0
    10789. 

  10789.  13 14  1  0  0  0  0
    10790. 

  10790.  13 55  1  0  0  0  0
    10791. 

  10791.  14 16  1  0  0  0  0
    10792. 

  10792.  14 15  1  0  0  0  0
    10793. 

  10793.  14 56  1  0  0  0  0
    10794. 

  10794.  15 58  1  0  0  0  0
    10795. 

  10795.  15 57  1  0  0  0  0
    10796. 

  10796.  15 59  1  0  0  0  0
    10797. 

  10797.  16 61  1  0  0  0  0
    10798. 

  10798.  16 60  1  0  0  0  0
    10799. 

  10799.  16 62  1  0  0  0  0
    10800. 

  10800.  17 18  2  0  0  0  0
    10801. 

  10801.  17 19  1  0  0  0  0
    10802. 

  10802.  19 21  1  0  0  0  0
    10803. 

  10803.  19 63  1  0  0  0  0
    10804. 

  10804.  20 65  1  0  0  0  0
    10805. 

  10805.  20 64  1  0  0  0  0
    10806. 

  10806.  20 66  1  0  0  0  0
    10807. 

  10807.  21 23  1  0  0  0  0
    10808. 

  10808.  21 22  1  0  0  0  0
    10809. 

  10809.  21 67  1  0  0  0  0
    10810. 

  10810.  22 25  2  0  0  0  0
    10811. 

  10811.  22 24  1  0  0  0  0
    10812. 

  10812.  23 68  1  0  0  0  0
    10813. 

  10813.  23 26  1  0  0  0  0
    10814. 

  10814.  23 69  1  0  0  0  0
    10815. 

  10815.  24 26  1  0  0  0  0
    10816. 

  10816.  24 70  1  0  0  0  0
    10817. 

  10817.  24 71  1  0  0  0  0
    10818. 

  10818.  26 27  1  0  0  0  0
    10819. 

  10819.  27 28  2  0  0  0  0
    10820. 

  10820.  27 29  1  0  0  0  0
    10821. 

  10821.  29 34  1  0  0  0  0
    10822. 

  10822.  29 30  1  6  0  0  0
    10823. 

  10823.  29 72  1  1  0  0  0
    10824. 

  10824.  30 73  1  0  0  0  0
    10825. 

  10825.  30 32  1  0  0  0  0
    10826. 

  10826.  30 74  1  0  0  0  0
    10827. 

  10827.  31 32  1  0  0  0  0
    10828. 

  10828.  31 76  1  0  0  0  0
    10829. 

  10829.  31 75  1  0  0  0  0
    10830. 

  10830.  31 77  1  0  0  0  0
    10831. 

  10831.  32 33  1  0  0  0  0
    10832. 

  10832.  32 78  1  0  0  0  0
    10833. 

  10833.  33 80  1  0  0  0  0
    10834. 

  10834.  33 79  1  0  0  0  0
    10835. 

  10835.  33 81  1  0  0  0  0
    10836. 

  10836.  34 35  1  0  0  0  0
    10837. 

  10837.  34 36  1  0  0  0  0
    10838. 

  10838.  35 83  1  0  0  0  0
    10839. 

  10839.  35 82  1  0  0  0  0
    10840. 

  10840.  35 84  1  0  0  0  0
    10841. 

  10841.  36 37  2  0  0  0  0
    10842. 

  10842.  36 38  1  0  0  0  0
    10843. 

  10843.  38 39  1  0  0  0  0
    10844. 

  10844.  39 85  1  0  0  0  0
    10845. 

  10845.  39 40  1  0  0  0  0
    10846. 

  10846.  39 86  1  0  0  0  0
    10847. 

  10847.  40 41  1  0  0  0  0
    10848. 

  10848.  40 45  2  0  0  0  0
    10849. 

  10849.  41 42  2  0  0  0  0
    10850. 

  10850.  41 87  1  0  0  0  0
    10851. 

  10851.  42 43  1  0  0  0  0
    10852. 

  10852.  42 88  1  0  0  0  0
    10853. 

  10853.  43 44  2  0  0  0  0
    10854. 

  10854.  43 89  1  0  0  0  0
    10855. 

  10855.  44 90  1  0  0  0  0
    10856. 

  10856.  44 45  1  0  0  0  0
    10857. 

  10857.  45 91  1  0  0  0  0
    10858. 

  10858. M  END
    10859. 

  10859. >  <ID>
    10860. 

  10860. Ale_26
    10861. 

  10861. 

  10862. >  <Cathepsin L nM>
    10863. 

  10863. 49
    10864. 

  10864. 

  10865. >  <Cathepsin B nM>
    10866. 

  10866. 2600
    10867. 

  10867. 

  10868. > <FP:MACCS>
    10869. 

  10869. 23 74 75 79 80 83 85 86 90 91 92 93 95 96 97 100 104 106 108 109 110 111 115 116 117 121 122 123 125 126 128 129 132 133 136 137 138 140 141 142 143 145 146 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    10870. 

  10870. 

  10871. $$$$
    10872. 

  10872. Bla_14
    10873. 

  10873.   MOE2005           2D
    10874. 

  10874. 

  10875.  53 54  0  0  1  0  0  0  0  0999 V2000
    10876. 

  10876.     0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    10877. 

  10877.    -0.7580   -1.2940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10878. 

  10878.    -0.7420    1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10879. 

  10879.    -1.4830    2.6080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10880. 

  10880.    -2.0460    0.5620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10881. 

  10881.     0.5620    2.0460    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10882. 

  10882.    -2.2580   -1.2840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    10883. 

  10883.    -3.0170   -2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10884. 

  10884.    -4.5170   -2.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    10885. 

  10885.    -2.2750   -3.8820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10886. 

  10886.    -3.0340   -5.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10887. 

  10887.    -2.2920   -6.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10888. 

  10888.    -1.5500   -7.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    10889. 

  10889.    -3.0000    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10890. 

  10890.    -4.5000    0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10891. 

  10891.    -5.2420    1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10892. 

  10892.    -5.2580   -1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10893. 

  10893.     1.5000   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10894. 

  10894.     2.2420   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10895. 

  10895.     3.7420   -1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10896. 

  10896.     4.5000   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10897. 

  10897.     3.7580    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10898. 

  10898.     2.2580    1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10899. 

  10899.     6.0000   -0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10900. 

  10900.     6.7580    1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10901. 

  10901.     8.2580    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10902. 

  10902.     9.0000   -0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10903. 

  10903.     8.2410   -1.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10904. 

  10904.     6.7420   -1.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    10905. 

  10905.     9.0170    2.5400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    10906. 

  10906.     0.6000   -1.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10907. 

  10907.    -0.1650   -2.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10908. 

  10908.    -1.6580   -2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10909. 

  10909.    -1.0750   -3.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10910. 

  10910.    -3.9480   -4.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10911. 

  10911.    -3.9580   -5.9420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10912. 

  10912.    -2.4350    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10913. 

  10913.    -3.2010    1.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10914. 

  10914.    -5.7000    0.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10915. 

  10915.    -4.1980    1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10916. 

  10916.    -5.8350    2.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10917. 

  10917.    -6.2850    0.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10918. 

  10918.    -6.2940   -0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10919. 

  10919.    -5.8650   -2.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10920. 

  10920.    -4.2230   -1.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10921. 

  10921.     1.6350   -2.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10922. 

  10922.     4.3350   -2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10923. 

  10923.     4.3650    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10924. 

  10924.     1.6650    2.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10925. 

  10925.     6.1650    2.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10926. 

  10926.    10.2000   -0.0660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10927. 

  10927.     8.8350   -2.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10928. 

  10928.     6.1350   -2.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    10929. 

  10929.   1 31  1  1  0  0  0
    10930. 

  10930.   1 18  1  0  0  0  0
    10931. 

  10931.   1  3  1  6  0  0  0
    10932. 

  10932.   1  2  1  0  0  0  0
    10933. 

  10933.   2  7  1  0  0  0  0
    10934. 

  10934.   2 32  1  0  0  0  0
    10935. 

  10935.   3  5  1  0  0  0  0
    10936. 

  10936.   3  4  1  0  0  0  0
    10937. 

  10937.   3  6  1  0  0  0  0
    10938. 

  10938.   7 14  1  6  0  0  0
    10939. 

  10939.   7  8  1  0  0  0  0
    10940. 

  10940.   7 33  1  1  0  0  0
    10941. 

  10941.   8  9  2  0  0  0  0
    10942. 

  10942.   8 10  1  0  0  0  0
    10943. 

  10943.  10 11  1  0  0  0  0
    10944. 

  10944.  10 34  1  0  0  0  0
    10945. 

  10945.  11 35  1  0  0  0  0
    10946. 

  10946.  11 12  1  0  0  0  0
    10947. 

  10947.  11 36  1  0  0  0  0
    10948. 

  10948.  12 13  3  0  0  0  0
    10949. 

  10949.  14 37  1  0  0  0  0
    10950. 

  10950.  14 15  1  0  0  0  0
    10951. 

  10951.  14 38  1  0  0  0  0
    10952. 

  10952.  15 17  1  0  0  0  0
    10953. 

  10953.  15 16  1  0  0  0  0
    10954. 

  10954.  15 39  1  0  0  0  0
    10955. 

  10955.  16 41  1  0  0  0  0
    10956. 

  10956.  16 40  1  0  0  0  0
    10957. 

  10957.  16 42  1  0  0  0  0
    10958. 

  10958.  17 44  1  0  0  0  0
    10959. 

  10959.  17 43  1  0  0  0  0
    10960. 

  10960.  17 45  1  0  0  0  0
    10961. 

  10961.  18 19  1  0  0  0  0
    10962. 

  10962.  18 23  2  0  0  0  0
    10963. 

  10963.  19 20  2  0  0  0  0
    10964. 

  10964.  19 46  1  0  0  0  0
    10965. 

  10965.  20 21  1  0  0  0  0
    10966. 

  10966.  20 47  1  0  0  0  0
    10967. 

  10967.  21 22  2  0  0  0  0
    10968. 

  10968.  21 24  1  0  0  0  0
    10969. 

  10969.  22 48  1  0  0  0  0
    10970. 

  10970.  22 23  1  0  0  0  0
    10971. 

  10971.  23 49  1  0  0  0  0
    10972. 

  10972.  24 25  1  0  0  0  0
    10973. 

  10973.  24 29  2  0  0  0  0
    10974. 

  10974.  25 26  2  0  0  0  0
    10975. 

  10975.  25 50  1  0  0  0  0
    10976. 

  10976.  26 27  1  0  0  0  0
    10977. 

  10977.  26 30  1  0  0  0  0
    10978. 

  10978.  27 28  2  0  0  0  0
    10979. 

  10979.  27 51  1  0  0  0  0
    10980. 

  10980.  28 52  1  0  0  0  0
    10981. 

  10981.  28 29  1  0  0  0  0
    10982. 

  10982.  29 53  1  0  0  0  0
    10983. 

  10983. M  END
    10984. 

  10984. >  <ID>
    10985. 

  10985. Bla_14
    10986. 

  10986. 

  10987. >  <Cathepsin L nM>
    10988. 

  10988. 2792
    10989. 

  10989. 

  10990. >  <Cathepsin B nM>
    10991. 

  10991. 2476
    10992. 

  10992. 

  10993. > <FP:MACCS>
    10994. 

  10994. 41 42 54 62 74 79 82 87 90 91 92 95 100 104 106 107 110 111 112 115 117 125 128 131 134 142 145 149 151 153 154 155 156 158 160 161 162 163 164 165
    10995. 

  10995. 

  10996. $$$$
    10997. 

  10997. Tri18g
    10998. 

  10998.   MOE2005           2D
    10999. 

  10999. 

  11000.  40 41  0  0  0  0  0  0  0  0999 V2000
    11001. 

  11001.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11002. 

  11002.     0.7590    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11003. 

  11003.     1.5170    2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11004. 

  11004.     2.4310    1.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11005. 

  11005.     2.4420    3.3530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11006. 

  11006.     0.7760    3.8920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11007. 

  11007.    -0.4240    3.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11008. 

  11008.     1.5340    5.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11009. 

  11009.     0.7930    6.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11010. 

  11010.     2.2930    6.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11011. 

  11011.     2.5900    5.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11012. 

  11012.     3.0340    5.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11013. 

  11013.     0.8030    7.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11014. 

  11014.     1.9830    7.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11015. 

  11015.     1.2210    9.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11016. 

  11016.    -0.4910    8.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11017. 

  11017.     0.2860    9.6630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11018. 

  11018.    -1.2560    9.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11019. 

  11019.    -1.7950    8.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11020. 

  11020.    -2.1980    9.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11021. 

  11021.    -2.9780    7.8070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11022. 

  11022.    -1.8050    6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11023. 

  11023.    -2.9850    6.7240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11024. 

  11024.    -2.2230    5.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11025. 

  11025.    -0.5110    5.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11026. 

  11026.     0.2540    4.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11027. 

  11027.    -1.2880    4.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11028. 

  11028.     3.0520    7.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11029. 

  11029.     4.5520    7.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11030. 

  11030.     2.3100    9.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11031. 

  11031.     5.2930    6.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11032. 

  11032.     4.6860    5.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11033. 

  11033.     6.7930    6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11034. 

  11034.     7.3860    5.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11035. 

  11035.     7.5520    7.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11036. 

  11036.     9.0520    7.7340    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    11037. 

  11037.     6.8100    9.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11038. 

  11038.     7.4170   10.0840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11039. 

  11039.     5.3100    9.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11040. 

  11040.     4.7170   10.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11041. 

  11041.   1  2  3  0  0  0  0
    11042. 

  11042.   2  3  1  0  0  0  0
    11043. 

  11043.   3  5  1  0  0  0  0
    11044. 

  11044.   3  4  1  0  0  0  0
    11045. 

  11045.   3  6  1  0  0  0  0
    11046. 

  11046.   6  7  1  0  0  0  0
    11047. 

  11047.   6  8  1  0  0  0  0
    11048. 

  11048.   8  9  1  0  0  0  0
    11049. 

  11049.   8 12  2  0  0  0  0
    11050. 

  11050.   9 13  1  0  0  0  0
    11051. 

  11051.   9 10  1  0  0  0  0
    11052. 

  11052.   9 25  1  0  0  0  0
    11053. 

  11053.  10 11  1  0  0  0  0
    11054. 

  11054.  10 28  1  0  0  0  0
    11055. 

  11055.  13 15  1  0  0  0  0
    11056. 

  11056.  13 14  1  0  0  0  0
    11057. 

  11057.  13 16  1  0  0  0  0
    11058. 

  11058.  16 18  1  0  0  0  0
    11059. 

  11059.  16 17  1  0  0  0  0
    11060. 

  11060.  16 19  1  0  0  0  0
    11061. 

  11061.  19 21  1  0  0  0  0
    11062. 

  11062.  19 20  1  0  0  0  0
    11063. 

  11063.  19 22  1  0  0  0  0
    11064. 

  11064.  22 24  1  0  0  0  0
    11065. 

  11065.  22 23  1  0  0  0  0
    11066. 

  11066.  22 25  1  0  0  0  0
    11067. 

  11067.  25 26  1  0  0  0  0
    11068. 

  11068.  25 27  1  0  0  0  0
    11069. 

  11069.  28 29  1  0  0  0  0
    11070. 

  11070.  28 30  2  0  0  0  0
    11071. 

  11071.  29 31  1  0  0  0  0
    11072. 

  11072.  29 39  2  0  0  0  0
    11073. 

  11073.  31 32  1  0  0  0  0
    11074. 

  11074.  31 33  2  0  0  0  0
    11075. 

  11075.  33 34  1  0  0  0  0
    11076. 

  11076.  33 35  1  0  0  0  0
    11077. 

  11077.  35 36  1  0  0  0  0
    11078. 

  11078.  35 37  2  0  0  0  0
    11079. 

  11079.  37 38  1  0  0  0  0
    11080. 

  11080.  37 39  1  0  0  0  0
    11081. 

  11081.  39 40  1  0  0  0  0
    11082. 

  11082. M  END
    11083. 

  11083. >  <ID>
    11084. 

  11084. Tri18g
    11085. 

  11085. 

  11086. >  <Cathepsin L nM>
    11087. 

  11087. 17000
    11088. 

  11088. 

  11089. >  <Cathepsin B nM>
    11090. 

  11090. 2300
    11091. 

  11091. 

  11092. > <FP:MACCS>
    11093. 

  11093. 41 46 54 66 79 82 87 90 91 92 95 100 104 107 110 111 112 117 118 128 129 131 133 134 136 142 145 147 151 153 154 155 156 158 159 161 162 163 164 165
    11094. 

  11094. 

  11095. $$$$
    11096. 

  11096. Hir13b
    11097. 

  11097.   MOE2005           2D
    11098. 

  11098. 

  11099.  73 76  0  0  1  0  0  0  0  0999 V2000
    11100. 

  11100.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11101. 

  11101.    -1.5000    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11102. 

  11102.    -2.0950    1.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11103. 

  11103.    -2.2560   -1.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11104. 

  11104.    -3.4560   -1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11105. 

  11105.    -1.5120   -2.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11106. 

  11106.    -2.2690   -3.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11107. 

  11107.    -3.7680   -3.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11108. 

  11108.    -5.2680   -3.8720    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11109. 

  11109.    -3.7610   -2.3790    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11110. 

  11110.    -3.7760   -5.3790    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11111. 

  11111.    -0.0120   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11112. 

  11112.     0.5830   -3.6400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11113. 

  11113.     0.7440   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11114. 

  11114.     1.9440   -1.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11115. 

  11115.     0.7560    1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11116. 

  11116.     2.2560    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11117. 

  11117.     3.0120    2.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11118. 

  11118.     2.5540    0.7670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11119. 

  11119.     0.0120    2.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11120. 

  11120.     1.7170    3.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11121. 

  11121.     1.3010    2.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11122. 

  11122.     0.5360    3.5540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11123. 

  11123.     1.7240    4.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11124. 

  11124.     0.5410    4.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11125. 

  11125.     1.3190    5.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11126. 

  11126.     3.0270    5.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11127. 

  11127.     2.2600    6.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11128. 

  11128.     3.8020    6.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11129. 

  11129.     4.3220    4.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11130. 

  11130.     4.7380    5.9530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11131. 

  11131.     5.5030    4.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11132. 

  11132.     4.3150    3.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11133. 

  11133.     4.7200    2.1980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11134. 

  11134.     5.4980    3.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11135. 

  11135.     3.7560    1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11136. 

  11136.     5.2560    1.2740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11137. 

  11137.     6.0000   -0.0290    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    11138. 

  11138.     5.2440   -1.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11139. 

  11139.     5.9880   -2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11140. 

  11140.     5.2310   -3.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11141. 

  11141.     4.1950   -3.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11142. 

  11142.     4.6260   -4.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11143. 

  11143.     6.2680   -4.5270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11144. 

  11144.     6.9100   -1.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11145. 

  11145.     6.9030   -3.4020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11146. 

  11146.     4.3280   -0.5480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11147. 

  11147.     4.3210   -2.0910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11148. 

  11148.     6.6000   -1.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11149. 

  11149.     5.8610    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11150. 

  11150.     3.0000   -0.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11151. 

  11151.     7.5000   -0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11152. 

  11152.     8.2560    1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11153. 

  11153.     8.2440   -1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11154. 

  11154.     7.6520    2.6330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11155. 

  11155.     8.7720    3.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11156. 

  11156.    10.0680    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11157. 

  11157.    11.4410    3.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11158. 

  11158.     9.7490    1.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11159. 

  11159.    11.6050    4.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11160. 

  11160.    10.6370    5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11161. 

  11161.    12.9780    5.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11162. 

  11162.    13.1420    7.0640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11163. 

  11163.    14.5150    7.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11164. 

  11164.    14.9980    6.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11165. 

  11165.    15.6140    8.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11166. 

  11166.    14.0320    8.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11167. 

  11167.    14.1870    4.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11168. 

  11168.    15.2860    5.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11169. 

  11169.    14.0230    3.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11170. 

  11170.    14.9910    2.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11171. 

  11171.    12.6500    2.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11172. 

  11172.    12.5190    1.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11173. 

  11173.   1 16  1  0  0  0  0
    11174. 

  11174.   1 14  2  0  0  0  0
    11175. 

  11175.   1  2  1  0  0  0  0
    11176. 

  11176.   2  3  1  0  0  0  0
    11177. 

  11177.   2  4  2  0  0  0  0
    11178. 

  11178.   4  6  1  0  0  0  0
    11179. 

  11179.   4  5  1  0  0  0  0
    11180. 

  11180.   6 12  2  0  0  0  0
    11181. 

  11181.   6  7  1  0  0  0  0
    11182. 

  11182.   7  8  1  0  0  0  0
    11183. 

  11183.   8 10  1  0  0  0  0
    11184. 

  11184.   8  9  1  0  0  0  0
    11185. 

  11185.   8 11  1  0  0  0  0
    11186. 

  11186.  12 14  1  0  0  0  0
    11187. 

  11187.  12 13  1  0  0  0  0
    11188. 

  11188.  14 15  1  0  0  0  0
    11189. 

  11189.  16 17  1  0  0  0  0
    11190. 

  11190.  16 20  2  0  0  0  0
    11191. 

  11191.  17 18  1  0  0  0  0
    11192. 

  11192.  17 19  1  0  0  0  0
    11193. 

  11193.  18 33  1  0  0  0  0
    11194. 

  11194.  18 21  1  0  0  0  0
    11195. 

  11195.  18 36  1  0  0  0  0
    11196. 

  11196.  21 23  1  0  0  0  0
    11197. 

  11197.  21 22  1  0  0  0  0
    11198. 

  11198.  21 24  1  0  0  0  0
    11199. 

  11199.  24 27  1  0  0  0  0
    11200. 

  11200.  24 26  1  0  0  0  0
    11201. 

  11201.  24 25  1  0  0  0  0
    11202. 

  11202.  27 30  1  0  0  0  0
    11203. 

  11203.  27 29  1  0  0  0  0
    11204. 

  11204.  27 28  1  0  0  0  0
    11205. 

  11205.  30 33  1  0  0  0  0
    11206. 

  11206.  30 32  1  0  0  0  0
    11207. 

  11207.  30 31  1  0  0  0  0
    11208. 

  11208.  33 34  1  0  0  0  0
    11209. 

  11209.  33 35  1  0  0  0  0
    11210. 

  11210.  36 37  1  0  0  0  0
    11211. 

  11211.  36 51  2  0  0  0  0
    11212. 

  11212.  37 38  1  0  0  0  0
    11213. 

  11213.  37 50  1  0  0  0  0
    11214. 

  11214.  38 49  1  0  0  0  0
    11215. 

  11215.  38 39  1  0  0  0  0
    11216. 

  11216.  38 52  1  0  0  0  0
    11217. 

  11217.  39 47  1  0  0  0  0
    11218. 

  11218.  39 40  1  0  0  0  0
    11219. 

  11219.  39 48  1  0  0  0  0
    11220. 

  11220.  40 45  1  0  0  0  0
    11221. 

  11221.  40 41  1  0  0  0  0
    11222. 

  11222.  40 46  1  0  0  0  0
    11223. 

  11223.  41 43  1  0  0  0  0
    11224. 

  11224.  41 42  1  0  0  0  0
    11225. 

  11225.  41 44  1  0  0  0  0
    11226. 

  11226.  52 53  1  0  0  0  0
    11227. 

  11227.  52 54  2  0  0  0  0
    11228. 

  11228.  53 55  2  0  0  0  0
    11229. 

  11229.  53 59  1  0  0  0  0
    11230. 

  11230.  55 56  1  0  0  0  0
    11231. 

  11231.  56 57  2  0  0  0  0
    11232. 

  11232.  57 58  1  0  0  0  0
    11233. 

  11233.  57 59  1  0  0  0  0
    11234. 

  11234.  58 60  1  0  0  0  0
    11235. 

  11235.  58 72  2  0  0  0  0
    11236. 

  11236.  60 61  1  0  0  0  0
    11237. 

  11237.  60 62  2  0  0  0  0
    11238. 

  11238.  62 63  1  0  0  0  0
    11239. 

  11239.  62 68  1  0  0  0  0
    11240. 

  11240.  63 64  1  0  0  0  0
    11241. 

  11241.  64 66  1  0  0  0  0
    11242. 

  11242.  64 65  1  0  0  0  0
    11243. 

  11243.  64 67  1  0  0  0  0
    11244. 

  11244.  68 69  1  0  0  0  0
    11245. 

  11245.  68 70  2  0  0  0  0
    11246. 

  11246.  70 71  1  0  0  0  0
    11247. 

  11247.  70 72  1  0  0  0  0
    11248. 

  11248.  72 73  1  0  0  0  0
    11249. 

  11249. M  END
    11250. 

  11250. >  <ID>
    11251. 

  11251. Hir13b
    11252. 

  11252. 

  11253. >  <Cathepsin L nM>
    11254. 

  11254. 7500
    11255. 

  11255. 

  11256. >  <Cathepsin B nM>
    11257. 

  11257. 2100
    11258. 

  11258. 

  11259. > <FP:MACCS>
    11260. 

  11260. 42 52 54 57 62 65 66 72 79 80 83 90 91 92 93 94 95 96 97 104 106 107 110 111 112 113 114 115 117 118 120 121 124 125 126 127 128 129 131 133 134 136 137 140 142 143 145 146 147 149 151 152 154 155 156 157 158 159 160 161 162 163 164 165
    11261. 

  11261. 

  11262. $$$$
    11263. 

  11263. Ryd_20
    11264. 

  11264.   MOE2005           2D
    11265. 

  11265. 

  11266.  78 78  0  0  1  0  0  0  0  0999 V2000
    11267. 

  11267.     0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11268. 

  11268.    -0.3290    1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11269. 

  11269.    -2.0350    3.5210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    11270. 

  11270.    -1.8960    5.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11271. 

  11271.    -3.0960    5.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11272. 

  11272.    -2.0350    6.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11273. 

  11273.    -2.8840    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11274. 

  11274.    -0.6580    2.9270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11275. 

  11275.     0.3330    4.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11276. 

  11276.    -0.4320    5.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11277. 

  11277.    -0.8160    6.4800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11278. 

  11278.     0.6580    5.8440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11279. 

  11279.     1.1460    3.1710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11280. 

  11280.     1.2950    4.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11281. 

  11281.    -3.3250    2.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11282. 

  11282.    -3.3080    1.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11283. 

  11283.    -5.9230    2.7260    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    11284. 

  11284.    -5.9060    1.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11285. 

  11285.    -4.7270    1.4480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11286. 

  11286.    -5.4820    0.1030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11287. 

  11287.    -7.1960    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11288. 

  11288.    -6.1570   -0.1390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11289. 

  11289.    -7.1790   -1.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11290. 

  11290.    -8.3780   -1.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11291. 

  11291.    -7.1650   -2.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11292. 

  11292.    -5.9790   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11293. 

  11293.    -8.5040    1.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11294. 

  11294.    -7.9160    2.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11295. 

  11295.    -9.5500    1.7840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11296. 

  11296.    -9.0920    0.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11297. 

  11297.    -5.9230    3.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11298. 

  11298.    -4.6330    3.4910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11299. 

  11299.    -4.6470    4.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11300. 

  11300.    -7.2310    3.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11301. 

  11301.    -7.2480    4.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11302. 

  11302.    -9.8290    3.4300    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    11303. 

  11303.    -9.8460    4.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11304. 

  11304.    -8.6620    4.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11305. 

  11305.    -9.4490    6.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11306. 

  11306.   -11.1540    5.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11307. 

  11307.   -12.1930    6.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11308. 

  11308.   -11.1720    7.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11309. 

  11309.    -9.9720    7.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11310. 

  11310.   -11.1860    8.3650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11311. 

  11311.   -12.3710    7.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11312. 

  11312.   -12.4440    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11313. 

  11313.   -13.0560    5.9320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11314. 

  11314.   -13.4760    4.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11315. 

  11315.   -11.8320    3.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11316. 

  11316.    -8.7900    4.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11317. 

  11317.    -8.5210    2.6960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11318. 

  11318.    -8.5140    2.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11319. 

  11319.   -11.1190    2.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11320. 

  11320.   -11.1020    1.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11321. 

  11321.   -13.7170    2.6350    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    11322. 

  11322.   -13.7000    1.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11323. 

  11323.   -12.5200    1.3570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11324. 

  11324.   -13.2760    0.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11325. 

  11325.   -14.9900    0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11326. 

  11326.   -16.0290   -0.2300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11327. 

  11327.   -16.2970    1.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11328. 

  11328.   -15.7100    2.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11329. 

  11329.   -17.3440    1.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11330. 

  11330.   -16.8850    0.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11331. 

  11331.   -14.9720   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11332. 

  11332.   -16.1720   -1.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11333. 

  11333.   -14.9580   -2.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11334. 

  11334.   -13.7720   -1.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11335. 

  11335.   -14.7560    2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11336. 

  11336.   -12.4270    3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11337. 

  11337.   -12.4340    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11338. 

  11338.   -15.0250    3.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11339. 

  11339.   -15.0420    4.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11340. 

  11340.   -16.3500    5.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11341. 

  11341.   -15.7620    6.6510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11342. 

  11342.   -17.3960    6.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11343. 

  11343.   -16.9380    4.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11344. 

  11344.   -16.3150    2.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11345. 

  11345.   1  2  3  0  0  0  0
    11346. 

  11346.   2  8  1  0  0  0  0
    11347. 

  11347.   3  8  1  0  0  0  0
    11348. 

  11348.   3 15  1  0  0  0  0
    11349. 

  11349.   3  7  1  0  0  0  0
    11350. 

  11350.   3  4  1  0  0  0  0
    11351. 

  11351.   4  6  1  0  0  0  0
    11352. 

  11352.   4  5  1  0  0  0  0
    11353. 

  11353.   4 10  1  0  0  0  0
    11354. 

  11354.   8  9  1  0  0  0  0
    11355. 

  11355.   9 13  1  0  0  0  0
    11356. 

  11356.   9 14  1  0  0  0  0
    11357. 

  11357.   9 10  1  0  0  0  0
    11358. 

  11358.  10 11  1  0  0  0  0
    11359. 

  11359.  10 12  1  0  0  0  0
    11360. 

  11360.  15 16  2  0  0  0  0
    11361. 

  11361.  15 32  1  0  0  0  0
    11362. 

  11362.  17 32  1  0  0  0  0
    11363. 

  11363.  17 34  1  0  0  0  0
    11364. 

  11364.  17 31  1  0  0  0  0
    11365. 

  11365.  17 18  1  0  0  0  0
    11366. 

  11366.  18 20  1  0  0  0  0
    11367. 

  11367.  18 19  1  0  0  0  0
    11368. 

  11368.  18 21  1  0  0  0  0
    11369. 

  11369.  21 23  1  0  0  0  0
    11370. 

  11370.  21 22  1  0  0  0  0
    11371. 

  11371.  21 27  1  0  0  0  0
    11372. 

  11372.  23 25  1  0  0  0  0
    11373. 

  11373.  23 24  1  0  0  0  0
    11374. 

  11374.  23 26  1  0  0  0  0
    11375. 

  11375.  27 29  1  0  0  0  0
    11376. 

  11376.  27 28  1  0  0  0  0
    11377. 

  11377.  27 30  1  0  0  0  0
    11378. 

  11378.  32 33  1  0  0  0  0
    11379. 

  11379.  34 35  2  0  0  0  0
    11380. 

  11380.  34 51  1  0  0  0  0
    11381. 

  11381.  36 51  1  0  0  0  0
    11382. 

  11382.  36 53  1  0  0  0  0
    11383. 

  11383.  36 50  1  0  0  0  0
    11384. 

  11384.  36 37  1  0  0  0  0
    11385. 

  11385.  37 39  1  0  0  0  0
    11386. 

  11386.  37 38  1  0  0  0  0
    11387. 

  11387.  37 40  1  0  0  0  0
    11388. 

  11388.  40 42  1  0  0  0  0
    11389. 

  11389.  40 41  1  0  0  0  0
    11390. 

  11390.  40 46  1  0  0  0  0
    11391. 

  11391.  42 44  1  0  0  0  0
    11392. 

  11392.  42 43  1  0  0  0  0
    11393. 

  11393.  42 45  1  0  0  0  0
    11394. 

  11394.  46 48  1  0  0  0  0
    11395. 

  11395.  46 47  1  0  0  0  0
    11396. 

  11396.  46 49  1  0  0  0  0
    11397. 

  11397.  51 52  1  0  0  0  0
    11398. 

  11398.  53 54  2  0  0  0  0
    11399. 

  11399.  53 70  1  0  0  0  0
    11400. 

  11400.  55 70  1  0  0  0  0
    11401. 

  11401.  55 72  1  0  0  0  0
    11402. 

  11402.  55 69  1  0  0  0  0
    11403. 

  11403.  55 56  1  0  0  0  0
    11404. 

  11404.  56 58  1  0  0  0  0
    11405. 

  11405.  56 57  1  0  0  0  0
    11406. 

  11406.  56 59  1  0  0  0  0
    11407. 

  11407.  59 61  1  0  0  0  0
    11408. 

  11408.  59 60  1  0  0  0  0
    11409. 

  11409.  59 65  1  0  0  0  0
    11410. 

  11410.  61 63  1  0  0  0  0
    11411. 

  11411.  61 62  1  0  0  0  0
    11412. 

  11412.  61 64  1  0  0  0  0
    11413. 

  11413.  65 67  1  0  0  0  0
    11414. 

  11414.  65 66  1  0  0  0  0
    11415. 

  11415.  65 68  1  0  0  0  0
    11416. 

  11416.  70 71  1  0  0  0  0
    11417. 

  11417.  72 73  1  0  0  0  0
    11418. 

  11418.  72 78  2  0  0  0  0
    11419. 

  11419.  73 74  1  0  0  0  0
    11420. 

  11420.  74 76  1  0  0  0  0
    11421. 

  11421.  74 75  1  0  0  0  0
    11422. 

  11422.  74 77  1  0  0  0  0
    11423. 

  11423. M  END
    11424. 

  11424. >  <ID>
    11425. 

  11425. Ryd_20
    11426. 

  11426. 

  11427. >  <Cathepsin L nM>
    11428. 

  11428. 140
    11429. 

  11429. 

  11430. >  <Cathepsin B nM>
    11431. 

  11431. 2000
    11432. 

  11432. 

  11433. > <FP:MACCS>
    11434. 

  11434. 41 54 74 75 77 79 83 85 90 91 92 93 95 96 100 104 108 110 111 115 117 121 122 123 126 128 129 131 136 137 140 141 142 146 147 148 149 150 151 153 154 155 156 157 158 159 160 161 164 165
    11435. 

  11435. 

  11436. $$$$
    11437. 

  11437. Gau_09
    11438. 

  11438.   MOE2005           2D
    11439. 

  11439. 

  11440.  44 45  0  0  1  0  0  0  0  0999 V2000
    11441. 

  11441.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11442. 

  11442.    -0.0220   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11443. 

  11443.     0.7390   -1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11444. 

  11444.    -1.5000    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11445. 

  11445.    -2.2610   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11446. 

  11446.    -1.5220   -2.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11447. 

  11447.    -2.2830   -3.8780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    11448. 

  11448.    -1.5440   -5.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11449. 

  11449.    -0.8050   -6.4890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11450. 

  11450.    -0.2390   -4.4440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11451. 

  11451.    -2.8490   -5.9220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11452. 

  11452.    -3.7830   -3.8650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11453. 

  11453.    -4.5440   -5.1580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    11454. 

  11454.    -3.8050   -6.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11455. 

  11455.    -6.0440   -5.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11456. 

  11456.    -6.8050   -6.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11457. 

  11457.    -6.7830   -3.8400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11458. 

  11458.    -7.8820   -2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11459. 

  11459.    -7.4820   -0.9360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11460. 

  11460.    -8.2830   -3.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11461. 

  11461.    -8.8680   -5.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11462. 

  11462.    -9.7720   -4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11463. 

  11463.    -5.3270   -9.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11464. 

  11464.    -4.5660   -7.7560    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    11465. 

  11465.    -5.8590   -6.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11466. 

  11466.    -3.2730   -8.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11467. 

  11467.     0.6090    1.0340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11468. 

  11468.     0.5690   -3.6420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11469. 

  11469.     1.9390   -1.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11470. 

  11470.    -2.0910    1.0570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11471. 

  11471.    -3.4610   -1.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11472. 

  11472.    -2.8830   -2.8390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11473. 

  11473.    -4.3740   -2.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11474. 

  11474.    -5.1440   -4.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11475. 

  11475.    -3.3420   -6.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11476. 

  11476.    -2.8920   -7.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11477. 

  11477.    -6.1740   -2.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11478. 

  11478.    -7.8620   -5.8610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11479. 

  11479.    -9.6870   -6.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11480. 

  11480.   -10.1230   -2.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11481. 

  11481.   -10.8410   -4.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11482. 

  11482.    -6.3610   -8.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11483. 

  11483.    -5.9360  -10.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11484. 

  11484.    -4.2930   -9.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11485. 

  11485.   1 27  1  0  0  0  0
    11486. 

  11486.   1  4  2  0  0  0  0
    11487. 

  11487.   1  3  1  0  0  0  0
    11488. 

  11488.   2  6  1  0  0  0  0
    11489. 

  11489.   2 28  1  0  0  0  0
    11490. 

  11490.   2  3  2  0  0  0  0
    11491. 

  11491.   3 29  1  0  0  0  0
    11492. 

  11492.   4  5  1  0  0  0  0
    11493. 

  11493.   4 30  1  0  0  0  0
    11494. 

  11494.   5  6  2  0  0  0  0
    11495. 

  11495.   5 31  1  0  0  0  0
    11496. 

  11496.   6  7  1  0  0  0  0
    11497. 

  11497.   7 12  1  1  0  0  0
    11498. 

  11498.   7  8  1  0  0  0  0
    11499. 

  11499.   7 32  1  6  0  0  0
    11500. 

  11500.   8 10  1  0  0  0  0
    11501. 

  11501.   8  9  1  0  0  0  0
    11502. 

  11502.   8 11  1  0  0  0  0
    11503. 

  11503.  12 13  1  0  0  0  0
    11504. 

  11504.  12 33  1  0  0  0  0
    11505. 

  11505.  13 15  1  0  0  0  0
    11506. 

  11506.  13 14  1  1  0  0  0
    11507. 

  11507.  13 34  1  6  0  0  0
    11508. 

  11508.  14 35  1  0  0  0  0
    11509. 

  11509.  14 24  1  0  0  0  0
    11510. 

  11510.  14 36  1  0  0  0  0
    11511. 

  11511.  15 16  2  0  0  0  0
    11512. 

  11512.  15 17  1  0  0  0  0
    11513. 

  11513.  17 20  1  0  0  0  0
    11514. 

  11514.  17 37  1  0  0  0  0
    11515. 

  11515.  18 20  1  0  0  0  0
    11516. 

  11516.  18 19  3  0  0  0  0
    11517. 

  11517.  20 21  1  0  0  0  0
    11518. 

  11518.  20 22  1  0  0  0  0
    11519. 

  11519.  21 38  1  0  0  0  0
    11520. 

  11520.  21 39  1  0  0  0  0
    11521. 

  11521.  21 22  1  0  0  0  0
    11522. 

  11522.  22 40  1  0  0  0  0
    11523. 

  11523.  22 41  1  0  0  0  0
    11524. 

  11524.  23 24  1  0  0  0  0
    11525. 

  11525.  23 43  1  0  0  0  0
    11526. 

  11526.  23 42  1  0  0  0  0
    11527. 

  11527.  23 44  1  0  0  0  0
    11528. 

  11528.  24 25  2  0  0  0  0
    11529. 

  11529.  24 26  2  0  0  0  0
    11530. 

  11530. M  END
    11531. 

  11531. >  <ID>
    11532. 

  11532. Gau_09
    11533. 

  11533. 

  11534. >  <Cathepsin L nM>
    11535. 

  11535. 1035
    11536. 

  11536. 

  11537. >  <Cathepsin B nM>
    11538. 

  11538. 1980
    11539. 

  11539. 

  11540. > <FP:MACCS>
    11541. 

  11541. 22 41 42 51 54 55 58 60 61 66 67 73 79 86 88 90 92 93 95 97 102 104 106 107 110 111 112 115 117 124 130 131 132 133 134 136 142 146 147 148 151 153 154 155 156 158 159 160 161 162 163 164 165
    11542. 

  11542. 

  11543. $$$$
    11544. 

  11544. Men_21
    11545. 

  11545.   MOE2005           2D
    11546. 

  11546. 

  11547.  61 61  0  0  1  0  0  0  0  0999 V2000
    11548. 

  11548.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11549. 

  11549.    -0.7580   -1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11550. 

  11550.     1.5000   -0.0090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11551. 

  11551.     2.2580    1.2860    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    11552. 

  11552.     2.8580    0.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11553. 

  11553.     1.5160    2.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11554. 

  11554.     0.5920    1.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11555. 

  11555.     0.6010    3.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11556. 

  11556.     2.2730    3.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11557. 

  11557.     1.5310    5.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11558. 

  11558.     2.5740    5.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11559. 

  11559.     0.9370    6.2300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11560. 

  11560.     0.4880    4.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11561. 

  11561.     2.8730    4.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11562. 

  11562.     3.7730    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11563. 

  11563.     3.7660    2.6750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11564. 

  11564.     4.9730    3.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11565. 

  11565.     3.7800    5.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11566. 

  11566.     2.0940   -1.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11567. 

  11567.    -0.7420    1.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11568. 

  11568.     3.7580    1.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11569. 

  11569.     4.5000   -0.0270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11570. 

  11570.     6.0000   -0.0360    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    11571. 

  11571.     6.7580    1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11572. 

  11572.     8.2580    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11573. 

  11573.     9.0150    2.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11574. 

  11574.    10.5150    2.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11575. 

  11575.    10.5080    1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11576. 

  11576.    11.7150    2.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11577. 

  11577.    10.5220    3.7350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11578. 

  11578.     7.8900    2.9620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11579. 

  11579.     9.2310    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11580. 

  11580.     8.0420    0.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11581. 

  11581.     9.3830    0.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11582. 

  11582.     5.6320    1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11583. 

  11583.     6.9730    2.4390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11584. 

  11584.     5.4000   -1.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11585. 

  11585.     3.8940   -1.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11586. 

  11586.     4.5150    2.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11587. 

  11587.     6.7420   -1.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11588. 

  11588.     5.9840   -2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11589. 

  11589.     6.7270   -3.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11590. 

  11590.     6.1200   -4.9730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11591. 

  11591.     5.0700   -1.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11592. 

  11592.     5.0610   -3.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11593. 

  11593.     8.2420   -1.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11594. 

  11594.    -2.2580   -1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11595. 

  11595.    -2.8520   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11596. 

  11596.    -3.0150   -2.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11597. 

  11597.    -4.2150   -2.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11598. 

  11598.    -2.2730   -3.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11599. 

  11599.    -3.0310   -5.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11600. 

  11600.    -4.5310   -5.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11601. 

  11601.    -5.1250   -4.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11602. 

  11602.    -5.1370   -6.2050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11603. 

  11603.    -1.9060   -5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11604. 

  11604.    -3.2460   -6.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11605. 

  11605.    -0.7730   -3.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11606. 

  11606.    -0.1790   -4.9350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11607. 

  11607.    -0.0160   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11608. 

  11608.     1.1840   -2.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11609. 

  11609.   1 20  2  0  0  0  0
    11610. 

  11610.   1  3  1  0  0  0  0
    11611. 

  11611.   1  2  1  0  0  0  0
    11612. 

  11612.   2 47  1  0  0  0  0
    11613. 

  11613.   2 60  2  0  0  0  0
    11614. 

  11614.   3  4  1  0  0  0  0
    11615. 

  11615.   3 19  1  0  0  0  0
    11616. 

  11616.   4  6  1  0  0  0  0
    11617. 

  11617.   4  5  1  0  0  0  0
    11618. 

  11618.   4 21  1  0  0  0  0
    11619. 

  11619.   6  8  1  0  0  0  0
    11620. 

  11620.   6  7  1  0  0  0  0
    11621. 

  11621.   6  9  1  0  0  0  0
    11622. 

  11622.   9 14  1  0  0  0  0
    11623. 

  11623.   9 10  1  0  0  0  0
    11624. 

  11624.   9 15  1  0  0  0  0
    11625. 

  11625.  10 12  1  0  0  0  0
    11626. 

  11626.  10 11  1  0  0  0  0
    11627. 

  11627.  10 13  1  0  0  0  0
    11628. 

  11628.  15 17  1  0  0  0  0
    11629. 

  11629.  15 16  1  0  0  0  0
    11630. 

  11630.  15 18  1  0  0  0  0
    11631. 

  11631.  21 22  1  0  0  0  0
    11632. 

  11632.  21 39  2  0  0  0  0
    11633. 

  11633.  22 23  1  0  0  0  0
    11634. 

  11634.  22 38  1  0  0  0  0
    11635. 

  11635.  23 37  1  0  0  0  0
    11636. 

  11636.  23 24  1  0  0  0  0
    11637. 

  11637.  23 40  1  0  0  0  0
    11638. 

  11638.  24 35  1  0  0  0  0
    11639. 

  11639.  24 25  1  0  0  0  0
    11640. 

  11640.  24 36  1  0  0  0  0
    11641. 

  11641.  25 33  1  0  0  0  0
    11642. 

  11642.  25 26  1  0  0  0  0
    11643. 

  11643.  25 34  1  0  0  0  0
    11644. 

  11644.  26 31  1  0  0  0  0
    11645. 

  11645.  26 27  1  0  0  0  0
    11646. 

  11646.  26 32  1  0  0  0  0
    11647. 

  11647.  27 29  1  0  0  0  0
    11648. 

  11648.  27 28  1  0  0  0  0
    11649. 

  11649.  27 30  1  0  0  0  0
    11650. 

  11650.  40 41  1  0  0  0  0
    11651. 

  11651.  40 46  2  0  0  0  0
    11652. 

  11652.  41 44  1  0  0  0  0
    11653. 

  11653.  41 42  1  0  0  0  0
    11654. 

  11654.  41 45  1  0  0  0  0
    11655. 

  11655.  42 43  1  0  0  0  0
    11656. 

  11656.  47 48  1  0  0  0  0
    11657. 

  11657.  47 49  2  0  0  0  0
    11658. 

  11658.  49 50  1  0  0  0  0
    11659. 

  11659.  49 51  1  0  0  0  0
    11660. 

  11660.  51 52  1  0  0  0  0
    11661. 

  11661.  51 58  2  0  0  0  0
    11662. 

  11662.  52 56  1  0  0  0  0
    11663. 

  11663.  52 53  1  0  0  0  0
    11664. 

  11664.  52 57  1  0  0  0  0
    11665. 

  11665.  53 54  1  0  0  0  0
    11666. 

  11666.  53 55  1  0  0  0  0
    11667. 

  11667.  58 59  1  0  0  0  0
    11668. 

  11668.  58 60  1  0  0  0  0
    11669. 

  11669.  60 61  1  0  0  0  0
    11670. 

  11670. M  END
    11671. 

  11671. >  <ID>
    11672. 

  11672. Men_21
    11673. 

  11673. 

  11674. >  <Cathepsin L nM>
    11675. 

  11675. 17
    11676. 

  11676. 

  11677. >  <Cathepsin B nM>
    11678. 

  11678. 1950
    11679. 

  11679. 

  11680. > <FP:MACCS>
    11681. 

  11681. 53 54 72 74 79 82 84 90 91 92 95 97 100 104 109 110 111 114 115 116 117 128 129 131 132 136 138 139 140 141 142 146 147 149 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
    11682. 

  11682. 

  11683. $$$$
    11684. 

  11684. Rob_01
    11685. 

  11685.   MOE2005           2D
    11686. 

  11686. 

  11687.  39 39  0  0  1  0  0  0  0  0999 V2000
    11688. 

  11688.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11689. 

  11689.     1.5000    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11690. 

  11690.     2.2570   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11691. 

  11691.     1.5140   -2.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11692. 

  11692.     0.0140   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11693. 

  11693.    -0.7430   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11694. 

  11694.    -2.2430   -1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11695. 

  11695.    -2.9860   -2.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11696. 

  11696.    -3.0000   -0.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11697. 

  11697.    -4.5000   -0.0240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    11698. 

  11698.    -5.2430   -1.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11699. 

  11699.    -7.5000   -0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11700. 

  11700.    -6.7430   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11701. 

  11701.    -7.4860   -2.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11702. 

  11702.    -5.2570    1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11703. 

  11703.    -4.5140    2.5740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11704. 

  11704.    -6.7570    1.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11705. 

  11705.    -5.2710    3.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11706. 

  11706.    -4.5280    5.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11707. 

  11707.    -3.7840    6.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11708. 

  11708.    -0.6060    1.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11709. 

  11709.     2.0940    1.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11710. 

  11710.     3.4570   -1.2810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11711. 

  11711.     2.1190   -3.6260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11712. 

  11712.    -0.5810   -3.6400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11713. 

  11713.    -2.4060    1.0260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11714. 

  11714.    -3.9000    1.0150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11715. 

  11715.    -4.1130   -1.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11716. 

  11716.    -5.4450   -2.5100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11717. 

  11717.    -6.4640    0.5660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11718. 

  11718.    -8.1050    0.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11719. 

  11719.    -8.5360   -0.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11720. 

  11720.    -7.9430   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11721. 

  11721.    -8.5280   -2.0430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11722. 

  11722.    -8.0810   -3.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11723. 

  11723.    -6.4440   -3.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11724. 

  11724.    -3.3140    2.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11725. 

  11725.    -6.1860    3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11726. 

  11726.    -6.1940    4.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11727. 

  11727.   1 21  1  0  0  0  0
    11728. 

  11728.   1  6  2  0  0  0  0
    11729. 

  11729.   1  2  1  0  0  0  0
    11730. 

  11730.   2 22  1  0  0  0  0
    11731. 

  11731.   2  3  2  0  0  0  0
    11732. 

  11732.   3  4  1  0  0  0  0
    11733. 

  11733.   3 23  1  0  0  0  0
    11734. 

  11734.   4  5  2  0  0  0  0
    11735. 

  11735.   4 24  1  0  0  0  0
    11736. 

  11736.   5  6  1  0  0  0  0
    11737. 

  11737.   5 25  1  0  0  0  0
    11738. 

  11738.   6  7  1  0  0  0  0
    11739. 

  11739.   7  8  2  0  0  0  0
    11740. 

  11740.   7  9  1  0  0  0  0
    11741. 

  11741.  10  9  1  1  0  0  0
    11742. 

  11742.   9 26  1  0  0  0  0
    11743. 

  11743.  10 15  1  0  0  0  0
    11744. 

  11744.  10 11  1  0  0  0  0
    11745. 

  11745.  10 27  1  6  0  0  0
    11746. 

  11746.  11 28  1  0  0  0  0
    11747. 

  11747.  11 13  1  0  0  0  0
    11748. 

  11748.  11 29  1  0  0  0  0
    11749. 

  11749.  12 13  1  0  0  0  0
    11750. 

  11750.  12 31  1  0  0  0  0
    11751. 

  11751.  12 30  1  0  0  0  0
    11752. 

  11752.  12 32  1  0  0  0  0
    11753. 

  11753.  13 14  1  0  0  0  0
    11754. 

  11754.  13 33  1  0  0  0  0
    11755. 

  11755.  14 35  1  0  0  0  0
    11756. 

  11756.  14 34  1  0  0  0  0
    11757. 

  11757.  14 36  1  0  0  0  0
    11758. 

  11758.  15 16  1  0  0  0  0
    11759. 

  11759.  15 17  2  0  0  0  0
    11760. 

  11760.  16 18  1  0  0  0  0
    11761. 

  11761.  16 37  1  0  0  0  0
    11762. 

  11762.  18 38  1  0  0  0  0
    11763. 

  11763.  18 19  1  0  0  0  0
    11764. 

  11764.  18 39  1  0  0  0  0
    11765. 

  11765.  19 20  3  0  0  0  0
    11766. 

  11766. M  END
    11767. 

  11767. >  <ID>
    11768. 

  11768. Rob_01
    11769. 

  11769. 

  11770. >  <Cathepsin L nM>
    11771. 

  11771. 42
    11772. 

  11772. 

  11773. >  <Cathepsin B nM>
    11774. 

  11774. 1903
    11775. 

  11775. 

  11776. > <FP:MACCS>
    11777. 

  11777. 41 54 74 79 82 90 91 92 95 100 104 110 111 115 117 128 131 136 142 149 151 153 154 155 156 158 159 160 161 162 163 164 165
    11778. 

  11778. 

  11779. $$$$
    11780. 

  11780. Gau_14
    11781. 

  11781.   MOE2005           2D
    11782. 

  11782. 

  11783.  54 56  0  0  1  0  0  0  0  0999 V2000
    11784. 

  11784.     0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11785. 

  11785.     2.2460   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11786. 

  11786.     0.7460   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11787. 

  11787.     0.7540    1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11788. 

  11788.     2.2540    1.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11789. 

  11789.     3.0000   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11790. 

  11790.     4.5000   -0.0160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    11791. 

  11791.     5.2460   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11792. 

  11792.     3.9440   -2.0630    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11793. 

  11793.     6.5470   -0.5720    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11794. 

  11794.     5.9910   -2.6190    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11795. 

  11795.     5.2540    1.2810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11796. 

  11796.     6.7540    1.2760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    11797. 

  11797.     7.5000   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11798. 

  11798.     7.5090    2.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11799. 

  11799.     9.0090    2.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11800. 

  11800.     6.7630    3.8740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11801. 

  11801.     6.0700    5.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11802. 

  11802.     4.6230    5.9570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    11803. 

  11803.     7.5180    5.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11804. 

  11804.     9.0040    4.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11805. 

  11805.     8.4350    6.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11806. 

  11806.     9.0000   -0.0310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    11807. 

  11807.     9.0050    1.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11808. 

  11808.     8.9950   -1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    11809. 

  11809.    10.5000   -0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11810. 

  11810.    11.2450   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11811. 

  11811.    13.4910   -2.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11812. 

  11812.    12.7450   -1.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11813. 

  11813.    10.4910   -2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11814. 

  11814.    11.2360   -3.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11815. 

  11815.    12.7360   -3.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    11816. 

  11816.    13.5000   -0.0470    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11817. 

  11817.    14.9910   -2.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    11818. 

  11818.    -1.2000    0.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11819. 

  11819.     2.8420   -2.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11820. 

  11820.     0.1420   -2.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11821. 

  11821.     0.1580    2.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11822. 

  11822.     2.8580    2.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11823. 

  11823.     3.9000    1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11824. 

  11824.     4.6580    2.3220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11825. 

  11825.     6.1540    2.3150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11826. 

  11826.     6.9350   -0.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11827. 

  11827.     7.7040   -1.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11828. 

  11828.     5.5630    3.8780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11829. 

  11829.     9.0530    3.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11830. 

  11830.    10.1770    5.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11831. 

  11831.     7.6280    7.2450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11832. 

  11832.     9.4500    6.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11833. 

  11833.    10.2960    1.1460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11834. 

  11834.    11.6290    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11835. 

  11835.     9.2910   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11836. 

  11836.    10.6330   -4.9730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11837. 

  11837.    13.3330   -4.9820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    11838. 

  11838.   1 35  1  0  0  0  0
    11839. 

  11839.   1  4  2  0  0  0  0
    11840. 

  11840.   1  3  1  0  0  0  0
    11841. 

  11841.   2  6  1  0  0  0  0
    11842. 

  11842.   2 36  1  0  0  0  0
    11843. 

  11843.   2  3  2  0  0  0  0
    11844. 

  11844.   3 37  1  0  0  0  0
    11845. 

  11845.   4  5  1  0  0  0  0
    11846. 

  11846.   4 38  1  0  0  0  0
    11847. 

  11847.   5  6  2  0  0  0  0
    11848. 

  11848.   5 39  1  0  0  0  0
    11849. 

  11849.   6  7  1  0  0  0  0
    11850. 

  11850.   7 12  1  0  0  0  0
    11851. 

  11851.   7  8  1  6  0  0  0
    11852. 

  11852.   7 40  1  1  0  0  0
    11853. 

  11853.   8 10  1  0  0  0  0
    11854. 

  11854.   8  9  1  0  0  0  0
    11855. 

  11855.   8 11  1  0  0  0  0
    11856. 

  11856.  12 13  1  0  0  0  0
    11857. 

  11857.  12 41  1  0  0  0  0
    11858. 

  11858.  13 15  1  0  0  0  0
    11859. 

  11859.  13 14  1  6  0  0  0
    11860. 

  11860.  13 42  1  1  0  0  0
    11861. 

  11861.  14 43  1  0  0  0  0
    11862. 

  11862.  14 23  1  0  0  0  0
    11863. 

  11863.  14 44  1  0  0  0  0
    11864. 

  11864.  15 16  2  0  0  0  0
    11865. 

  11865.  15 17  1  0  0  0  0
    11866. 

  11866.  17 20  1  0  0  0  0
    11867. 

  11867.  17 45  1  0  0  0  0
    11868. 

  11868.  18 20  1  0  0  0  0
    11869. 

  11869.  18 19  3  0  0  0  0
    11870. 

  11870.  20 21  1  0  0  0  0
    11871. 

  11871.  20 22  1  0  0  0  0
    11872. 

  11872.  21 46  1  0  0  0  0
    11873. 

  11873.  21 47  1  0  0  0  0
    11874. 

  11874.  21 22  1  0  0  0  0
    11875. 

  11875.  22 48  1  0  0  0  0
    11876. 

  11876.  22 49  1  0  0  0  0
    11877. 

  11877.  23 25  2  0  0  0  0
    11878. 

  11878.  23 24  2  0  0  0  0
    11879. 

  11879.  23 26  1  0  0  0  0
    11880. 

  11880.  26 50  1  0  0  0  0
    11881. 

  11881.  26 27  1  0  0  0  0
    11882. 

  11882.  26 51  1  0  0  0  0
    11883. 

  11883.  27 29  1  0  0  0  0
    11884. 

  11884.  27 30  2  0  0  0  0
    11885. 

  11885.  28 29  2  0  0  0  0
    11886. 

  11886.  28 32  1  0  0  0  0
    11887. 

  11887.  28 34  1  0  0  0  0
    11888. 

  11888.  29 33  1  0  0  0  0
    11889. 

  11889.  30 52  1  0  0  0  0
    11890. 

  11890.  30 31  1  0  0  0  0
    11891. 

  11891.  31 32  2  0  0  0  0
    11892. 

  11892.  31 53  1  0  0  0  0
    11893. 

  11893.  32 54  1  0  0  0  0
    11894. 

  11894. M  END
    11895. 

  11895. >  <ID>
    11896. 

  11896. Gau_14
    11897. 

  11897. 

  11898. >  <Cathepsin L nM>
    11899. 

  11899. 1
    11900.