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/data/big.sdf

http://github.com/rajarshi/cdkr
Unknown | 10629 lines | 10352 code | 277 blank | 0 comment | 0 complexity | bb87c476442d8d6f5c6241a647e13d26 MD5 | raw file

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  2.   MOE2004           3D
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  121. dan009.sdf
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  136. dan010.sdf
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  152.   MOE2004           3D
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  166. dan012.sdf
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  167.   MOE2004           3D
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  181. dan013.sdf
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  182.   MOE2004           3D
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  194. M  END
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  196. dan014.sdf
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  197.   MOE2004           3D
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  209. dan015.sdf
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  210.   MOE2004           2D
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  224. dan016.sdf
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  225.   MOE2004           3D
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  240.   MOE2004           3D
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  254. dan018.sdf
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  255.   MOE2004           3D
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  269. dan019.sdf
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  270.   MOE2004           3D
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    275. 

  275.    -0.5800    0.0680   -1.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    276. 

  276.    -0.5790   -0.9180    0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    277. 

  277.     1.9310    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    278. 

  278.   1  2  1  0  0  0  0
    279. 

  279.   1  3  1  0  0  0  0
    280. 

  280.   1  4  1  0  0  0  0
    281. 

  281.   1  5  1  0  0  0  0
    282. 

  282. M  END
    283. 

  283. $$$$
    284. 

  284. dan020.sdf
    285. 

  285.   MOE2004           3D
    286. 

  286. 

  287.   6  5  0  0  0  0  0  0  0  0999 V2000
    288. 

  288.    -0.3400    0.0310   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    289. 

  289.    -0.6960   -0.7290   -0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
    290. 

  290.    -0.7170   -0.1890    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    291. 

  291.    -0.6970    1.0140   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    292. 

  292.     1.0780    0.0310   -0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
    293. 

  293.     1.3720   -0.1590    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    294. 

  294.   1  2  1  0  0  0  0
    295. 

  295.   1  3  1  0  0  0  0
    296. 

  296.   1  4  1  0  0  0  0
    297. 

  297.   1  5  1  0  0  0  0
    298. 

  298.   5  6  1  0  0  0  0
    299. 

  299. M  END
    300. 

  300. $$$$
    301. 

  301. dan021.sdf
    302. 

  302.   MOE2004           3D
    303. 

  303. 

  304.   6  5  0  0  0  0  0  0  0  0999 V2000
    305. 

  305.    -0.4410    0.0370    0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    306. 

  306.    -0.8120    0.2090    1.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    307. 

  307.    -0.8130    0.8280   -0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    308. 

  308.    -0.8130   -0.9270   -0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    309. 

  309.     1.3630    0.0370    0.2190 S   0  0  0  0  0  0  0  0  0  0  0  0
    310. 

  310.     1.5160   -0.1850   -1.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    311. 

  311.   1  2  1  0  0  0  0
    312. 

  312.   1  3  1  0  0  0  0
    313. 

  313.   1  4  1  0  0  0  0
    314. 

  314.   1  5  1  0  0  0  0
    315. 

  315.   5  6  1  0  0  0  0
    316. 

  316. M  END
    317. 

  317. $$$$
    318. 

  318. dan022.sdf
    319. 

  319.   MOE2004           3D
    320. 

  320. 

  321.   8  7  0  0  0  0  0  0  0  0999 V2000
    322. 

  322.    -0.7310    0.0000   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    323. 

  323.     0.7940    0.0000    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    324. 

  324.    -1.4630   -1.4580    0.6110 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    325. 

  325.    -1.4630    1.4580    0.6110 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    326. 

  326.    -1.0330    0.0000   -1.4590 F   0  0  0  0  0  0  0  0  0  0  0  0
    327. 

  327.     1.1600   -0.0010    1.3600 F   0  0  0  0  0  0  0  0  0  0  0  0
    328. 

  328.     1.3680   -1.0910   -0.5240 F   0  0  0  0  0  0  0  0  0  0  0  0
    329. 

  329.     1.3680    1.0920   -0.5220 F   0  0  0  0  0  0  0  0  0  0  0  0
    330. 

  330.   1  2  1  0  0  0  0
    331. 

  331.   1  3  1  0  0  0  0
    332. 

  332.   1  4  1  0  0  0  0
    333. 

  333.   1  5  1  0  0  0  0
    334. 

  334.   2  6  1  0  0  0  0
    335. 

  335.   2  7  1  0  0  0  0
    336. 

  336.   2  8  1  0  0  0  0
    337. 

  337. M  END
    338. 

  338. $$$$
    339. 

  339. dan023.sdf
    340. 

  340.   MOE2004           3D
    341. 

  341. 

  342.   8  7  0  0  0  0  0  0  0  0999 V2000
    343. 

  343.     0.7630    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    344. 

  344.    -0.7630    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    345. 

  345.    -1.2660   -0.7000    1.0510 F   0  0  0  0  0  0  0  0  0  0  0  0
    346. 

  346.    -1.2670    1.2600    0.0800 F   0  0  0  0  0  0  0  0  0  0  0  0
    347. 

  347.    -1.2670   -0.5610   -1.1320 F   0  0  0  0  0  0  0  0  0  0  0  0
    348. 

  348.     1.2670    0.5600    1.1320 F   0  0  0  0  0  0  0  0  0  0  0  0
    349. 

  349.     1.2670   -1.2600   -0.0810 F   0  0  0  0  0  0  0  0  0  0  0  0
    350. 

  350.     1.2670    0.7010   -1.0510 F   0  0  0  0  0  0  0  0  0  0  0  0
    351. 

  351.   1  2  1  0  0  0  0
    352. 

  352.   1  6  1  0  0  0  0
    353. 

  353.   1  7  1  0  0  0  0
    354. 

  354.   1  8  1  0  0  0  0
    355. 

  355.   2  3  1  0  0  0  0
    356. 

  356.   2  4  1  0  0  0  0
    357. 

  357.   2  5  1  0  0  0  0
    358. 

  358. M  END
    359. 

  359. $$$$
    360. 

  360. dan024.sdf
    361. 

  361.   MOE2004           3D
    362. 

  362. 

  363.   8  7  0  0  0  0  0  0  0  0999 V2000
    364. 

  364.    -0.7650    0.0000   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    365. 

  365.     0.6810    0.0000    0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    366. 

  366.     0.7040    0.0000    1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    367. 

  367.     1.5560    1.4570   -0.2470 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    368. 

  368.     1.5560   -1.4570   -0.2470 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    369. 

  369.    -1.4380    1.0890    0.2660 F   0  0  0  0  0  0  0  0  0  0  0  0
    370. 

  370.    -0.8570    0.0000   -1.5430 F   0  0  0  0  0  0  0  0  0  0  0  0
    371. 

  371.    -1.4370   -1.0900    0.2660 F   0  0  0  0  0  0  0  0  0  0  0  0
    372. 

  372.   1  2  1  0  0  0  0
    373. 

  373.   1  6  1  0  0  0  0
    374. 

  374.   1  7  1  0  0  0  0
    375. 

  375.   1  8  1  0  0  0  0
    376. 

  376.   2  3  1  0  0  0  0
    377. 

  377.   2  4  1  0  0  0  0
    378. 

  378.   2  5  1  0  0  0  0
    379. 

  379. M  END
    380. 

  380. $$$$
    381. 

  381. dan025.sdf
    382. 

  382.   MOE2004           2D
    383. 

  383. 

  384.   6  5  0  0  0  0  0  0  0  0999 V2000
    385. 

  385.     0.5480   -0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    386. 

  386.     0.5390   -1.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    387. 

  387.    -0.5650    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    388. 

  388.    -0.5630    2.0170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    389. 

  389.    -2.1090   -0.4940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    390. 

  390.     2.1490    0.1570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    391. 

  391.   1  2  1  0  0  0  0
    392. 

  392.   1  3  2  0  0  0  0
    393. 

  393.   1  6  1  0  0  0  0
    394. 

  394.   3  4  1  0  0  0  0
    395. 

  395.   3  5  1  0  0  0  0
    396. 

  396. M  END
    397. 

  397. $$$$
    398. 

  398. dan026.sdf
    399. 

  399.   MOE2004           3D
    400. 

  400. 

  401.   7  6  0  0  0  0  0  0  0  0999 V2000
    402. 

  402.    -0.5030    0.0000   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    403. 

  403.     0.8170    0.0000    0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    404. 

  404.     0.7640   -0.0010    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    405. 

  405.     1.9220    0.0000   -0.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
    406. 

  406.    -1.8170   -0.0020    0.9140 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    407. 

  407.    -0.5910    1.4620   -1.2770 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    408. 

  408.    -0.5910   -1.4590   -1.2810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    409. 

  409.   1  2  1  0  0  0  0
    410. 

  410.   1  5  1  0  0  0  0
    411. 

  411.   1  6  1  0  0  0  0
    412. 

  412.   1  7  1  0  0  0  0
    413. 

  413.   2  3  1  0  0  0  0
    414. 

  414.   2  4  2  0  0  0  0
    415. 

  415. M  END
    416. 

  416. $$$$
    417. 

  417. dan027.sdf
    418. 

  418.   MOE2004           3D
    419. 

  419. 

  420.   8  7  0  0  0  0  0  0  0  0999 V2000
    421. 

  421.     0.7290    0.0000   -0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    422. 

  422.     0.7320    0.0000   -1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    423. 

  423.    -0.7330    0.0000    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    424. 

  424.    -1.6190    1.4410   -0.3960 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    425. 

  425.    -1.6200   -1.4400   -0.4000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    426. 

  426.    -0.8130   -0.0020    1.9950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    427. 

  427.     1.6620    1.4510    0.1710 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    428. 

  428.     1.6620   -1.4500    0.1720 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    429. 

  429.   1  2  1  0  0  0  0
    430. 

  430.   1  3  1  0  0  0  0
    431. 

  431.   1  7  1  0  0  0  0
    432. 

  432.   1  8  1  0  0  0  0
    433. 

  433.   3  4  1  0  0  0  0
    434. 

  434.   3  5  1  0  0  0  0
    435. 

  435.   3  6  1  0  0  0  0
    436. 

  436. M  END
    437. 

  437. $$$$
    438. 

  438. dan028.sdf
    439. 

  439.   MOE2004           3D
    440. 

  440. 

  441.   8  7  0  0  0  0  0  0  0  0999 V2000
    442. 

  442.     0.7340    0.0000   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    443. 

  443.     0.8300    0.0000   -1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    444. 

  444.    -0.7230    0.0000    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    445. 

  445.    -1.3770    1.0910   -0.2960 F   0  0  0  0  0  0  0  0  0  0  0  0
    446. 

  446.    -1.3770   -1.0920   -0.2940 F   0  0  0  0  0  0  0  0  0  0  0  0
    447. 

  447.    -0.8570    0.0010    1.5320 F   0  0  0  0  0  0  0  0  0  0  0  0
    448. 

  448.     1.3850    1.0910    0.2370 F   0  0  0  0  0  0  0  0  0  0  0  0
    449. 

  449.     1.3850   -1.0910    0.2370 F   0  0  0  0  0  0  0  0  0  0  0  0
    450. 

  450.   1  2  1  0  0  0  0
    451. 

  451.   1  3  1  0  0  0  0
    452. 

  452.   1  7  1  0  0  0  0
    453. 

  453.   1  8  1  0  0  0  0
    454. 

  454.   3  4  1  0  0  0  0
    455. 

  455.   3  5  1  0  0  0  0
    456. 

  456.   3  6  1  0  0  0  0
    457. 

  457. M  END
    458. 

  458. $$$$
    459. 

  459. dan029.sdf
    460. 

  460.   MOE2004           3D
    461. 

  461. 

  462.   8  7  0  0  0  0  0  0  0  0999 V2000
    463. 

  463.    -0.6310    0.4170   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    464. 

  464.    -0.6520    1.0980   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
    465. 

  465.     0.6310   -0.4170   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    466. 

  466.     0.6520   -1.0990   -0.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
    467. 

  467.    -2.2080   -0.7110   -0.3750 Br  0  0  0  0  0  0  0  0  0  0  0  0
    468. 

  468.    -0.8320    1.5690    1.4470 Br  0  0  0  0  0  0  0  0  0  0  0  0
    469. 

  469.     0.8320   -1.5680    1.4480 Br  0  0  0  0  0  0  0  0  0  0  0  0
    470. 

  470.     2.2080    0.7100   -0.3750 Br  0  0  0  0  0  0  0  0  0  0  0  0
    471. 

  471.   1  2  1  0  0  0  0
    472. 

  472.   1  3  1  0  0  0  0
    473. 

  473.   1  5  1  0  0  0  0
    474. 

  474.   1  6  1  0  0  0  0
    475. 

  475.   3  4  1  0  0  0  0
    476. 

  476.   3  7  1  0  0  0  0
    477. 

  477.   3  8  1  0  0  0  0
    478. 

  478. M  END
    479. 

  479. $$$$
    480. 

  480. dan030.sdf
    481. 

  481.   MOE2004           3D
    482. 

  482. 

  483.   8  7  0  0  0  0  0  0  0  0999 V2000
    484. 

  484.    -0.6130    0.0000    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    485. 

  485.     0.6040    0.0000   -0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    486. 

  486.     0.5980   -0.8820   -1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    487. 

  487.     0.5980    0.8820   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    488. 

  488.    -0.6340   -1.4580    1.4280 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    489. 

  489.    -0.6350    1.4600    1.4250 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    490. 

  490.    -2.1020   -0.0020   -0.5990 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    491. 

  491.     2.1840    0.0000    0.2960 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    492. 

  492.   1  2  1  0  0  0  0
    493. 

  493.   1  5  1  0  0  0  0
    494. 

  494.   1  6  1  0  0  0  0
    495. 

  495.   1  7  1  0  0  0  0
    496. 

  496.   2  3  1  0  0  0  0
    497. 

  497.   2  4  1  0  0  0  0
    498. 

  498.   2  8  1  0  0  0  0
    499. 

  499. M  END
    500. 

  500. $$$$
    501. 

  501. dan031.sdf
    502. 

  502.   MOE2004           3D
    503. 

  503. 

  504.   8  7  0  0  0  0  0  0  0  0999 V2000
    505. 

  505.    -0.6720    0.3770    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    506. 

  506.    -0.7330    1.0250    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    507. 

  507.     0.6720   -0.3770    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    508. 

  508.     0.7330   -1.0250    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    509. 

  509.    -0.8990    1.4330   -1.3200 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    510. 

  510.    -2.0520   -0.7510    0.2290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    511. 

  511.     0.8990   -1.4340   -1.3200 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    512. 

  512.     2.0530    0.7510    0.2290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    513. 

  513.   1  2  1  0  0  0  0
    514. 

  514.   1  3  1  0  0  0  0
    515. 

  515.   1  5  1  0  0  0  0
    516. 

  516.   1  6  1  0  0  0  0
    517. 

  517.   3  4  1  0  0  0  0
    518. 

  518.   3  7  1  0  0  0  0
    519. 

  519.   3  8  1  0  0  0  0
    520. 

  520. M  END
    521. 

  521. $$$$
    522. 

  522. dan032.sdf
    523. 

  523.   MOE2004           2D
    524. 

  524. 

  525.   6  5  0  0  0  0  0  0  0  0999 V2000
    526. 

  526.     0.0010    0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    527. 

  527.    -0.9300    1.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    528. 

  528.     0.9350    1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    529. 

  529.    -0.0010   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    530. 

  530.     1.1690   -1.2970    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    531. 

  531.    -1.1730   -1.2930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    532. 

  532.   1  2  1  0  0  0  0
    533. 

  533.   1  3  1  0  0  0  0
    534. 

  534.   1  4  2  0  0  0  0
    535. 

  535.   4  5  1  0  0  0  0
    536. 

  536.   4  6  1  0  0  0  0
    537. 

  537. M  END
    538. 

  538. $$$$
    539. 

  539. dan033.sdf
    540. 

  540.   MOE2004           3D
    541. 

  541. 

  542.   8  7  0  0  0  0  0  0  0  0999 V2000
    543. 

  543.     0.7000   -0.2950    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    544. 

  544.     0.8580   -0.9610    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    545. 

  545.    -0.7000    0.2950    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    546. 

  546.    -0.8580    0.9610    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    547. 

  547.    -0.9260    1.0020   -1.0780 F   0  0  0  0  0  0  0  0  0  0  0  0
    548. 

  548.    -1.6300   -0.6960    0.1010 F   0  0  0  0  0  0  0  0  0  0  0  0
    549. 

  549.     0.9270   -1.0030   -1.0770 F   0  0  0  0  0  0  0  0  0  0  0  0
    550. 

  550.     1.6300    0.6960    0.1010 F   0  0  0  0  0  0  0  0  0  0  0  0
    551. 

  551.   1  2  1  0  0  0  0
    552. 

  552.   1  3  1  0  0  0  0
    553. 

  553.   1  7  1  0  0  0  0
    554. 

  554.   1  8  1  0  0  0  0
    555. 

  555.   3  4  1  0  0  0  0
    556. 

  556.   3  5  1  0  0  0  0
    557. 

  557.   3  6  1  0  0  0  0
    558. 

  558. M  END
    559. 

  559. $$$$
    560. 

  560. dan034.sdf
    561. 

  561.   MOE2004           2D
    562. 

  562. 

  563.   6  5  0  0  0  0  0  0  0  0999 V2000
    564. 

  564.    -0.6720    0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    565. 

  565.    -0.6110    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    566. 

  566.    -1.6590   -0.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    567. 

  567.     0.4220   -0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    568. 

  568.     0.3670   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    569. 

  569.     2.1530    0.2400    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    570. 

  570.   1  2  1  0  0  0  0
    571. 

  571.   1  3  1  0  0  0  0
    572. 

  572.   1  4  2  0  0  0  0
    573. 

  573.   4  5  1  0  0  0  0
    574. 

  574.   4  6  1  0  0  0  0
    575. 

  575. M  END
    576. 

  576. $$$$
    577. 

  577. dan035.sdf
    578. 

  578.   MOE2004           3D
    579. 

  579. 

  580.   7  6  0  0  0  0  0  0  0  0999 V2000
    581. 

  581.     0.3930   -0.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    582. 

  582.     0.1300   -1.1240    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    583. 

  583.     0.1390   -1.1170   -0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    584. 

  584.     1.4730   -0.3740    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    585. 

  585.    -0.3330    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    586. 

  586.     0.2620    1.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    587. 

  587.    -2.0640    0.5570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    588. 

  588.   1  2  1  0  0  0  0
    589. 

  589.   1  3  1  0  0  0  0
    590. 

  590.   1  4  1  0  0  0  0
    591. 

  591.   1  5  1  0  0  0  0
    592. 

  592.   5  6  2  0  0  0  0
    593. 

  593.   5  7  1  0  0  0  0
    594. 

  594. M  END
    595. 

  595. $$$$
    596. 

  596. dan036.sdf
    597. 

  597.   MOE2004           3D
    598. 

  598. 

  599.   8  7  0  0  0  0  0  0  0  0999 V2000
    600. 

  600.     0.0000    0.0000   -0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
    601. 

  601.    -0.7230    0.7080   -1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    602. 

  602.     0.9760    0.2720   -1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    603. 

  603.    -0.2510   -0.9810   -1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    604. 

  604.     0.0000    0.0000    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    605. 

  605.    -0.4160   -1.6220    1.3130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    606. 

  606.     1.6120    0.4520    1.3130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    607. 

  607.    -1.1980    1.1710    1.3130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    608. 

  608.   1  2  1  0  0  0  0
    609. 

  609.   1  3  1  0  0  0  0
    610. 

  610.   1  4  1  0  0  0  0
    611. 

  611.   1  5  1  0  0  0  0
    612. 

  612.   5  6  1  0  0  0  0
    613. 

  613.   5  7  1  0  0  0  0
    614. 

  614.   5  8  1  0  0  0  0
    615. 

  615. M  END
    616. 

  616. $$$$
    617. 

  617. dan037.sdf
    618. 

  618.   MOE2004           3D
    619. 

  619. 

  620.   8  7  0  0  0  0  0  0  0  0999 V2000
    621. 

  621.    -0.5740    0.2910   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    622. 

  622.    -0.4420    0.2710   -1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
    623. 

  623.     0.5760   -0.4240    0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    624. 

  624.     0.5020   -0.3340    1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    625. 

  625.     0.5850   -1.4890    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    626. 

  626.     2.1670    0.2220   -0.1500 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    627. 

  627.    -2.1110   -0.5370   -0.0090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    628. 

  628.    -0.7020    1.9990    0.1310 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    629. 

  629.   1  2  1  0  0  0  0
    630. 

  630.   1  3  1  0  0  0  0
    631. 

  631.   1  7  1  0  0  0  0
    632. 

  632.   1  8  1  0  0  0  0
    633. 

  633.   3  4  1  0  0  0  0
    634. 

  634.   3  5  1  0  0  0  0
    635. 

  635.   3  6  1  0  0  0  0
    636. 

  636. M  END
    637. 

  637. $$$$
    638. 

  638. dan038.sdf
    639. 

  639.   MOE2004           2D
    640. 

  640. 

  641.   6  5  0  0  0  0  0  0  0  0999 V2000
    642. 

  642.    -0.6380   -0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    643. 

  643.    -0.6570   -1.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    644. 

  644.    -1.5810    0.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    645. 

  645.     0.5210    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    646. 

  646.     0.6590    1.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    647. 

  647.     1.6960   -0.3030    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    648. 

  648.   1  2  1  0  0  0  0
    649. 

  649.   1  3  1  0  0  0  0
    650. 

  650.   1  4  2  0  0  0  0
    651. 

  651.   4  5  1  0  0  0  0
    652. 

  652.   4  6  1  0  0  0  0
    653. 

  653. M  END
    654. 

  654. $$$$
    655. 

  655. dan039.sdf
    656. 

  656.   MOE2004           3D
    657. 

  657. 

  658.   8  7  0  0  0  0  0  0  0  0999 V2000
    659. 

  659.    -0.7930    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    660. 

  660.    -1.1830    0.8830    0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    661. 

  661.    -1.1830    0.0040   -1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    662. 

  662.    -1.1830   -0.8870    0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    663. 

  663.     0.7180    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    664. 

  664.     1.2080   -1.0970    0.6270 F   0  0  0  0  0  0  0  0  0  0  0  0
    665. 

  665.     1.2080    0.0050   -1.2640 F   0  0  0  0  0  0  0  0  0  0  0  0
    666. 

  666.     1.2080    1.0920    0.6360 F   0  0  0  0  0  0  0  0  0  0  0  0
    667. 

  667.   1  2  1  0  0  0  0
    668. 

  668.   1  3  1  0  0  0  0
    669. 

  669.   1  4  1  0  0  0  0
    670. 

  670.   1  5  1  0  0  0  0
    671. 

  671.   5  6  1  0  0  0  0
    672. 

  672.   5  7  1  0  0  0  0
    673. 

  673.   5  8  1  0  0  0  0
    674. 

  674. M  END
    675. 

  675. $$$$
    676. 

  676. dan040.sdf
    677. 

  677.   MOE2004           3D
    678. 

  678. 

  679.   8  7  0  0  0  0  0  0  0  0999 V2000
    680. 

  680.     0.0000   -0.7910   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    681. 

  681.     0.0000   -0.7760   -1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
    682. 

  682.     0.8830   -1.3530    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    683. 

  683.    -0.8830   -1.3530    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    684. 

  684.     0.0000    0.6060    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    685. 

  685.     0.0000    0.5810    1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    686. 

  686.    -1.6120    1.5430   -0.1940 Br  0  0  0  0  0  0  0  0  0  0  0  0
    687. 

  687.     1.6120    1.5440   -0.1940 Br  0  0  0  0  0  0  0  0  0  0  0  0
    688. 

  688.   1  2  1  0  0  0  0
    689. 

  689.   1  3  1  0  0  0  0
    690. 

  690.   1  4  1  0  0  0  0
    691. 

  691.   1  5  1  0  0  0  0
    692. 

  692.   5  6  1  0  0  0  0
    693. 

  693.   5  7  1  0  0  0  0
    694. 

  694.   5  8  1  0  0  0  0
    695. 

  695. M  END
    696. 

  696. $$$$
    697. 

  697. dan041.sdf
    698. 

  698.   MOE2004           3D
    699. 

  699. 

  700.   8  7  0  0  0  0  0  0  0  0999 V2000
    701. 

  701.     0.6320   -0.1580    0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    702. 

  702.     0.4510   -0.0250    1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    703. 

  703.     1.1930   -1.0840    0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    704. 

  704.    -0.6320   -0.1580   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    705. 

  705.    -0.4510   -0.0240   -1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    706. 

  706.    -1.1930   -1.0840   -0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    707. 

  707.    -1.8370    1.2660    0.1420 Br  0  0  0  0  0  0  0  0  0  0  0  0
    708. 

  708.     1.8370    1.2660   -0.1420 Br  0  0  0  0  0  0  0  0  0  0  0  0
    709. 

  709.   1  2  1  0  0  0  0
    710. 

  710.   1  3  1  0  0  0  0
    711. 

  711.   1  4  1  0  0  0  0
    712. 

  712.   1  8  1  0  0  0  0
    713. 

  713.   4  5  1  0  0  0  0
    714. 

  714.   4  6  1  0  0  0  0
    715. 

  715.   4  7  1  0  0  0  0
    716. 

  716. M  END
    717. 

  717. $$$$
    718. 

  718. dan042.sdf
    719. 

  719.   MOE2004           3D
    720. 

  720. 

  721.   8  7  0  0  0  0  0  0  0  0999 V2000
    722. 

  722.     0.0000   -0.6380    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    723. 

  723.     0.0000   -0.6270    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    724. 

  724.     0.0000    0.7890   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    725. 

  725.    -0.0020    1.5010    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    726. 

  726.     0.8840    1.0130   -0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
    727. 

  727.    -0.8820    1.0120   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    728. 

  728.     1.4550   -1.5250   -0.2030 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    729. 

  729.    -1.4560   -1.5250   -0.2030 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    730. 

  730.   1  2  1  0  0  0  0
    731. 

  731.   1  3  1  0  0  0  0
    732. 

  732.   1  7  1  0  0  0  0
    733. 

  733.   1  8  1  0  0  0  0
    734. 

  734.   3  4  1  0  0  0  0
    735. 

  735.   3  5  1  0  0  0  0
    736. 

  736.   3  6  1  0  0  0  0
    737. 

  737. M  END
    738. 

  738. $$$$
    739. 

  739. dan043.sdf
    740. 

  740.   MOE2004           3D
    741. 

  741. 

  742.   8  7  0  0  0  0  0  0  0  0999 V2000
    743. 

  743.     0.6710   -0.1260    0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    744. 

  744.     0.5460   -0.0750    1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    745. 

  745.     1.2210   -1.0410    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    746. 

  746.    -0.6710   -0.1260   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    747. 

  747.    -0.5460   -0.0750   -1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    748. 

  748.    -1.2210   -1.0410   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    749. 

  749.    -1.6990    1.2420    0.1420 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    750. 

  750.     1.6990    1.2420   -0.1420 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    751. 

  751.   1  2  1  0  0  0  0
    752. 

  752.   1  3  1  0  0  0  0
    753. 

  753.   1  4  1  0  0  0  0
    754. 

  754.   1  8  1  0  0  0  0
    755. 

  755.   4  5  1  0  0  0  0
    756. 

  756.   4  6  1  0  0  0  0
    757. 

  757.   4  7  1  0  0  0  0
    758. 

  758. M  END
    759. 

  759. $$$$
    760. 

  760. dan044.sdf
    761. 

  761.   MOE2004           3D
    762. 

  762. 

  763.   8  7  0  0  0  0  0  0  0  0999 V2000
    764. 

  764.     0.7510    0.0000   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    765. 

  765.     0.7830    0.0000   -1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    766. 

  766.     1.2770    0.8920    0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    767. 

  767.     1.2770   -0.8920    0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    768. 

  768.    -0.6810    0.0000    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    769. 

  769.    -0.7600    0.0000    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    770. 

  770.    -1.3240   -1.0900   -0.2170 F   0  0  0  0  0  0  0  0  0  0  0  0
    771. 

  771.    -1.3240    1.0900   -0.2170 F   0  0  0  0  0  0  0  0  0  0  0  0
    772. 

  772.   1  2  1  0  0  0  0
    773. 

  773.   1  3  1  0  0  0  0
    774. 

  774.   1  4  1  0  0  0  0
    775. 

  775.   1  5  1  0  0  0  0
    776. 

  776.   5  6  1  0  0  0  0
    777. 

  777.   5  7  1  0  0  0  0
    778. 

  778.   5  8  1  0  0  0  0
    779. 

  779. M  END
    780. 

  780. $$$$
    781. 

  781. dan045.sdf
    782. 

  782.   MOE2004           3D
    783. 

  783. 

  784.   8  7  0  0  0  0  0  0  0  0999 V2000
    785. 

  785.     0.6840   -0.0630    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    786. 

  786.     0.6120    0.0520    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    787. 

  787.     1.2340   -0.9770    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    788. 

  788.    -0.6840   -0.0630   -0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    789. 

  789.    -0.6110    0.0520   -1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    790. 

  790.    -1.2330   -0.9770   -0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    791. 

  791.    -1.4050    0.9880    0.1570 F   0  0  0  0  0  0  0  0  0  0  0  0
    792. 

  792.     1.4050    0.9880   -0.1570 F   0  0  0  0  0  0  0  0  0  0  0  0
    793. 

  793.   1  2  1  0  0  0  0
    794. 

  794.   1  3  1  0  0  0  0
    795. 

  795.   1  4  1  0  0  0  0
    796. 

  796.   1  8  1  0  0  0  0
    797. 

  797.   4  5  1  0  0  0  0
    798. 

  798.   4  6  1  0  0  0  0
    799. 

  799.   4  7  1  0  0  0  0
    800. 

  800. M  END
    801. 

  801. $$$$
    802. 

  802. dan046.sdf
    803. 

  803.   MOE2004           3D
    804. 

  804. 

  805.   8  7  0  0  0  0  0  0  0  0999 V2000
    806. 

  806.    -0.7260    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    807. 

  807.    -1.0220    1.3720    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    808. 

  808.    -1.1280   -0.1510   -0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    809. 

  809.    -1.1290   -0.1600    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    810. 

  810.     0.7730    0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    811. 

  811.     1.5250    1.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    812. 

  812.     1.2110   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    813. 

  813.     0.4960   -1.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    814. 

  814.   1  2  1  0  0  0  0
    815. 

  815.   1  3  1  0  0  0  0
    816. 

  816.   1  4  1  0  0  0  0
    817. 

  817.   1  5  1  0  0  0  0
    818. 

  818.   5  6  2  0  0  0  0
    819. 

  819.   5  7  1  0  0  0  0
    820. 

  820.   7  8  1  0  0  0  0
    821. 

  821. M  END
    822. 

  822. $$$$
    823. 

  823. dan047.sdf
    824. 

  824.   MOE2004           3D
    825. 

  825. 

  826.   8  7  0  0  0  0  0  0  0  0999 V2000
    827. 

  827.    -1.0350   -0.1210   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    828. 

  828.    -0.9800    0.9720   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    829. 

  829.    -1.5930   -0.4720   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    830. 

  830.    -1.5720   -0.4230    0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    831. 

  831.     0.2480   -0.7570    0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    832. 

  832.     1.3450    0.0480    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    833. 

  833.     1.0940    1.1200    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    834. 

  834.     2.4940   -0.3670   -0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    835. 

  835.   1  2  1  0  0  0  0
    836. 

  836.   1  3  1  0  0  0  0
    837. 

  837.   1  4  1  0  0  0  0
    838. 

  838.   1  5  1  0  0  0  0
    839. 

  839.   5  6  1  0  0  0  0
    840. 

  840.   6  7  1  0  0  0  0
    841. 

  841.   6  8  2  0  0  0  0
    842. 

  842. M  END
    843. 

  843. $$$$
    844. 

  844. dan048.sdf
    845. 

  845.   MOE2004           3D
    846. 

  846. 

  847.   8  7  0  0  0  0  0  0  0  0999 V2000
    848. 

  848.    -0.6550    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    849. 

  849.    -0.3200    1.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    850. 

  850.    -1.2920    0.3150   -0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    851. 

  851.    -1.2930    0.3140    0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    852. 

  852.     0.4710   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    853. 

  853.     0.4440   -1.1850    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    854. 

  854.     0.4440   -1.1850   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    855. 

  855.     2.2000    0.3280    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    856. 

  856.   1  2  1  0  0  0  0
    857. 

  857.   1  3  1  0  0  0  0
    858. 

  858.   1  4  1  0  0  0  0
    859. 

  859.   1  5  1  0  0  0  0
    860. 

  860.   5  6  1  0  0  0  0
    861. 

  861.   5  7  1  0  0  0  0
    862. 

  862.   5  8  1  0  0  0  0
    863. 

  863. M  END
    864. 

  864. $$$$
    865. 

  865. dan049.sdf
    866. 

  866.   MOE2004           3D
    867. 

  867. 

  868.   8  7  0  0  0  0  0  0  0  0999 V2000
    869. 

  869.    -0.6590    0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    870. 

  870.    -0.3650    1.4960    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    871. 

  871.    -1.2870    0.2680   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    872. 

  872.    -1.2880    0.2670    0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    873. 

  873.     0.5210   -0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    874. 

  874.     0.5030   -1.1570    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    875. 

  875.     0.5040   -1.1570   -0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
    876. 

  876.     2.0700    0.3590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    877. 

  877.   1  2  1  0  0  0  0
    878. 

  878.   1  3  1  0  0  0  0
    879. 

  879.   1  4  1  0  0  0  0
    880. 

  880.   1  5  1  0  0  0  0
    881. 

  881.   5  6  1  0  0  0  0
    882. 

  882.   5  7  1  0  0  0  0
    883. 

  883.   5  8  1  0  0  0  0
    884. 

  884. M  END
    885. 

  885. $$$$
    886. 

  886. dan050.sdf
    887. 

  887.   MOE2004           3D
    888. 

  888. 

  889.   8  7  0  0  0  0  0  0  0  0999 V2000
    890. 

  890.    -0.6680   -0.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    891. 

  891.    -0.4690   -1.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    892. 

  892.    -1.2710   -0.1360    0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    893. 

  893.    -1.2710   -0.1350   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    894. 

  894.     0.6160    0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    895. 

  895.     0.6950    1.0550   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    896. 

  896.     0.6950    1.0550    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    897. 

  897.     1.6730   -0.4320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    898. 

  898.   1  2  1  0  0  0  0
    899. 

  899.   1  3  1  0  0  0  0
    900. 

  900.   1  4  1  0  0  0  0
    901. 

  901.   1  5  1  0  0  0  0
    902. 

  902.   5  6  1  0  0  0  0
    903. 

  903.   5  7  1  0  0  0  0
    904. 

  904.   5  8  1  0  0  0  0
    905. 

  905. M  END
    906. 

  906. $$$$
    907. 

  907. dan051.sdf
    908. 

  908.   MOE2004           3D
    909. 

  909. 

  910.   8  7  0  0  0  0  0  0  0  0999 V2000
    911. 

  911.    -0.6500    0.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    912. 

  912.    -0.2750    1.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    913. 

  913.    -1.2940    0.3650   -0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    914. 

  914.    -1.2930    0.3650    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    915. 

  915.     0.4370   -0.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    916. 

  916.     0.3390   -1.2220    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    917. 

  917.     0.3390   -1.2220   -0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    918. 

  918.     2.3980    0.2980    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    919. 

  919.   1  2  1  0  0  0  0
    920. 

  920.   1  3  1  0  0  0  0
    921. 

  921.   1  4  1  0  0  0  0
    922. 

  922.   1  5  1  0  0  0  0
    923. 

  923.   5  6  1  0  0  0  0
    924. 

  924.   5  7  1  0  0  0  0
    925. 

  925.   5  8  1  0  0  0  0
    926. 

  926. M  END
    927. 

  927. $$$$
    928. 

  928. dan052.sdf
    929. 

  929.   MOE2004           3D
    930. 

  930. 

  931.   9  8  0  0  0  0  0  0  0  0999 V2000
    932. 

  932.    -1.2000   -0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    933. 

  933.    -1.0300    1.0450   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    934. 

  934.    -1.7830   -0.3050   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    935. 

  935.    -1.7810   -0.3000    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    936. 

  936.     0.0000   -0.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    937. 

  937.     1.2000   -0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    938. 

  938.     1.0300    1.0450    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    939. 

  939.     1.7840   -0.3060    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    940. 

  940.     1.7800   -0.2990   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    941. 

  941.   1  2  1  0  0  0  0
    942. 

  942.   1  3  1  0  0  0  0
    943. 

  943.   1  4  1  0  0  0  0
    944. 

  944.   1  5  1  0  0  0  0
    945. 

  945.   5  6  1  0  0  0  0
    946. 

  946.   6  7  1  0  0  0  0
    947. 

  947.   6  8  1  0  0  0  0
    948. 

  948.   6  9  1  0  0  0  0
    949. 

  949. M  END
    950. 

  950. $$$$
    951. 

  951. dan053.sdf
    952. 

  952.   MOE2004           3D
    953. 

  953. 

  954.   9  8  0  0  0  0  0  0  0  0999 V2000
    955. 

  955.    -0.8590   -0.2770   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    956. 

  956.    -0.8900   -0.9370   -0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    957. 

  957.    -0.9040   -0.9190    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
    958. 

  958.    -1.7420    0.3680   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    959. 

  959.     0.4130    0.5480   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    960. 

  960.     0.4610    1.1770   -0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    961. 

  961.     0.4620    1.1950    0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    962. 

  962.     1.5480   -0.3090   -0.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
    963. 

  963.     1.5100   -0.8450    0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    964. 

  964.   1  2  1  0  0  0  0
    965. 

  965.   1  3  1  0  0  0  0
    966. 

  966.   1  4  1  0  0  0  0
    967. 

  967.   1  5  1  0  0  0  0
    968. 

  968.   5  6  1  0  0  0  0
    969. 

  969.   5  7  1  0  0  0  0
    970. 

  970.   5  8  1  0  0  0  0
    971. 

  971.   8  9  1  0  0  0  0
    972. 

  972. M  END
    973. 

  973. $$$$
    974. 

  974. dan054.sdf
    975. 

  975.   MOE2004           3D
    976. 

  976. 

  977.  10  9  0  0  0  0  0  0  0  0999 V2000
    978. 

  978.    -1.7620   -0.2730    0.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
    979. 

  979.    -2.4560    0.4100    0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    980. 

  980.    -0.5110    0.4020    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    981. 

  981.    -0.4570    1.0370    0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    982. 

  982.    -0.4440    1.0540   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    983. 

  983.     0.6250   -0.6130    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    984. 

  984.     0.5730   -1.2410    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    985. 

  985.     0.5560   -1.2840   -0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    986. 

  986.     1.8880    0.0430    0.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
    987. 

  987.     1.9880    0.4640   -0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    988. 

  988.   1  2  1  0  0  0  0
    989. 

  989.   1  3  1  0  0  0  0
    990. 

  990.   3  4  1  0  0  0  0
    991. 

  991.   3  5  1  0  0  0  0
    992. 

  992.   3  6  1  0  0  0  0
    993. 

  993.   6  7  1  0  0  0  0
    994. 

  994.   6  8  1  0  0  0  0
    995. 

  995.   6  9  1  0  0  0  0
    996. 

  996.   9 10  1  0  0  0  0
    997. 

  997. M  END
    998. 

  998. $$$$
    999. 

  999. dan055.sdf
    1000. 

  1000.   MOE2004           3D
    1001. 

  1001. 

  1002.   9  8  0  0  0  0  0  0  0  0999 V2000
    1003. 

  1003.    -1.3960   -0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1004. 

  1004.    -1.0820    1.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1005. 

  1005.    -2.0110   -0.2030   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1006. 

  1006.    -2.0100   -0.2030    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1007. 

  1007.     0.0000   -1.1840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1008. 

  1008.     1.3960   -0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1009. 

  1009.     1.0820    1.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1010. 

  1010.     2.0100   -0.2030    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1011. 

  1011.     2.0110   -0.2030   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1012. 

  1012.   1  2  1  0  0  0  0
    1013. 

  1013.   1  3  1  0  0  0  0
    1014. 

  1014.   1  4  1  0  0  0  0
    1015. 

  1015.   1  5  1  0  0  0  0
    1016. 

  1016.   5  6  1  0  0  0  0
    1017. 

  1017.   6  7  1  0  0  0  0
    1018. 

  1018.   6  8  1  0  0  0  0
    1019. 

  1019.   6  9  1  0  0  0  0
    1020. 

  1020. M  END
    1021. 

  1021. $$$$
    1022. 

  1022. dan056.sdf
    1023. 

  1023.   MOE2004           3D
    1024. 

  1024. 

  1025.   9  8  0  0  0  0  0  0  0  0999 V2000
    1026. 

  1026.    -0.8660    0.3400    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1027. 

  1027.    -0.8560    0.9770   -0.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1028. 

  1028.    -1.8140   -0.2060    0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1029. 

  1029.    -0.8510    0.9820    1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1030. 

  1030.     0.2950   -0.6390    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1031. 

  1031.     0.2490   -1.2780    1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1032. 

  1032.     0.2490   -1.2820   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1033. 

  1033.     1.8800    0.2440    0.1310 S   0  0  0  0  0  0  0  0  0  0  0  0
    1034. 

  1034.     1.7140    0.8640   -1.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1035. 

  1035.   1  2  1  0  0  0  0
    1036. 

  1036.   1  3  1  0  0  0  0
    1037. 

  1037.   1  4  1  0  0  0  0
    1038. 

  1038.   1  5  1  0  0  0  0
    1039. 

  1039.   5  6  1  0  0  0  0
    1040. 

  1040.   5  7  1  0  0  0  0
    1041. 

  1041.   5  8  1  0  0  0  0
    1042. 

  1042.   8  9  1  0  0  0  0
    1043. 

  1043. M  END
    1044. 

  1044. $$$$
    1045. 

  1045. dan057.sdf
    1046. 

  1046.   MOE2004           3D
    1047. 

  1047. 

  1048.  10  9  0  0  0  0  0  0  0  0999 V2000
    1049. 

  1049.    -1.8170    0.1010   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1050. 

  1050.    -1.9810   -0.1340   -1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1051. 

  1051.    -2.7910    0.1900    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1052. 

  1052.    -1.3000    1.0600   -0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1053. 

  1053.    -0.8730   -1.2170    0.5450 S   0  0  0  0  0  0  0  0  0  0  0  0
    1054. 

  1054.     0.8740   -1.2170   -0.5450 S   0  0  0  0  0  0  0  0  0  0  0  0
    1055. 

  1055.     1.8170    0.1010    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1056. 

  1056.     1.9820   -0.1340    1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1057. 

  1057.     2.7910    0.1910   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1058. 

  1058.     1.2990    1.0590    0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1059. 

  1059.   1  2  1  0  0  0  0
    1060. 

  1060.   1  3  1  0  0  0  0
    1061. 

  1061.   1  4  1  0  0  0  0
    1062. 

  1062.   1  5  1  0  0  0  0
    1063. 

  1063.   5  6  1  0  0  0  0
    1064. 

  1064.   6  7  1  0  0  0  0
    1065. 

  1065.   7  8  1  0  0  0  0
    1066. 

  1066.   7  9  1  0  0  0  0
    1067. 

  1067.   7 10  1  0  0  0  0
    1068. 

  1068. M  END
    1069. 

  1069. $$$$
    1070. 

  1070. dan058.sdf
    1071. 

  1071.   MOE2004           3D
    1072. 

  1072. 

  1073.  10  9  0  0  0  0  0  0  0  0999 V2000
    1074. 

  1074.    -1.7490    0.8250   -0.1380 S   0  0  0  0  0  0  0  0  0  0  0  0
    1075. 

  1075.    -1.0630    1.7810    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1076. 

  1076.    -0.6770   -0.5650    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1077. 

  1077.    -1.2090   -1.4860    0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1078. 

  1078.    -0.5570   -0.5540    1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1079. 

  1079.     0.6800   -0.5650   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1080. 

  1080.     1.2120   -1.4870   -0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1081. 

  1081.     0.5600   -0.5560   -1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1082. 

  1082.     1.7490    0.8260    0.1360 S   0  0  0  0  0  0  0  0  0  0  0  0
    1083. 

  1083.     1.0550    1.7810   -0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1084. 

  1084.   1  2  1  0  0  0  0
    1085. 

  1085.   1  3  1  0  0  0  0
    1086. 

  1086.   3  4  1  0  0  0  0
    1087. 

  1087.   3  5  1  0  0  0  0
    1088. 

  1088.   3  6  1  0  0  0  0
    1089. 

  1089.   6  7  1  0  0  0  0
    1090. 

  1090.   6  8  1  0  0  0  0
    1091. 

  1091.   6  9  1  0  0  0  0
    1092. 

  1092.   9 10  1  0  0  0  0
    1093. 

  1093. M  END
    1094. 

  1094. $$$$
    1095. 

  1095. dan059.sdf
    1096. 

  1096.   MOE2004           3D
    1097. 

  1097. 

  1098.   9  8  0  0  0  0  0  0  0  0999 V2000
    1099. 

  1099.    -0.3880    1.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1100. 

  1100.    -0.1900    1.6860    0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1101. 

  1101.    -0.1880    1.6880   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1102. 

  1102.    -1.4550    0.8320   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1103. 

  1103.     0.4640   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1104. 

  1104.    -0.0050   -1.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1105. 

  1105.     0.6620   -2.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1106. 

  1106.    -1.0710   -1.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1107. 

  1107.     2.1700    0.1330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1108. 

  1108.   1  2  1  0  0  0  0
    1109. 

  1109.   1  3  1  0  0  0  0
    1110. 

  1110.   1  4  1  0  0  0  0
    1111. 

  1111.   1  5  1  0  0  0  0
    1112. 

  1112.   5  6  2  0  0  0  0
    1113. 

  1113.   5  9  1  0  0  0  0
    1114. 

  1114.   6  7  1  0  0  0  0
    1115. 

  1115.   6  8  1  0  0  0  0
    1116. 

  1116. M  END
    1117. 

  1117. $$$$
    1118. 

  1118. dan060.sdf
    1119. 

  1119.   MOE2004           3D
    1120. 

  1120. 

  1121.  11 10  0  0  0  0  0  0  0  0999 V2000
    1122. 

  1122.    -1.2550    0.2790    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1123. 

  1123.    -1.3600    0.1200    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1124. 

  1124.    -1.2180    1.3580    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1125. 

  1125.     0.0000   -0.4030   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1126. 

  1126.     0.0000   -0.3430   -1.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1127. 

  1127.     1.2550    0.2790    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1128. 

  1128.     1.2180    1.3580    0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1129. 

  1129.     1.3600    0.1200    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1130. 

  1130.    -2.7450   -0.3090   -0.5950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1131. 

  1131.     0.0000   -2.1500    0.0650 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1132. 

  1132.     2.7450   -0.3090   -0.5950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1133. 

  1133.   1  2  1  0  0  0  0
    1134. 

  1134.   1  3  1  0  0  0  0
    1135. 

  1135.   1  4  1  0  0  0  0
    1136. 

  1136.   1  9  1  0  0  0  0
    1137. 

  1137.   4  5  1  0  0  0  0
    1138. 

  1138.   4  6  1  0  0  0  0
    1139. 

  1139.   4 10  1  0  0  0  0
    1140. 

  1140.   6  7  1  0  0  0  0
    1141. 

  1141.   6  8  1  0  0  0  0
    1142. 

  1142.   6 11  1  0  0  0  0
    1143. 

  1143. M  END
    1144. 

  1144. $$$$
    1145. 

  1145. dan061.sdf
    1146. 

  1146.   MOE2004           3D
    1147. 

  1147. 

  1148.  11 10  0  0  1  0  0  0  0  0999 V2000
    1149. 

  1149.     1.0440   -0.4800    0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1150. 

  1150.     1.3950    0.4000    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1151. 

  1151.     1.2070   -1.3530    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1152. 

  1152.    -0.4420   -0.3280    0.2640 C   0  0  3  0  0  0  0  0  0  0  0  0
    1153. 

  1153.    -0.7440    0.8750   -0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1154. 

  1154.    -0.3090    0.7730   -1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1155. 

  1155.    -1.8240    1.0040   -0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1156. 

  1156.    -0.3520    1.7940   -0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1157. 

  1157.     2.1060   -0.6580   -0.8130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1158. 

  1158.    -1.0840   -1.8170   -0.4960 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1159. 

  1159.    -0.9970   -0.2100    1.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1160. 

  1160.   1  2  1  0  0  0  0
    1161. 

  1161.   1  3  1  0  0  0  0
    1162. 

  1162.   1  4  1  0  0  0  0
    1163. 

  1163.   1  9  1  0  0  0  0
    1164. 

  1164.   4  5  1  0  0  0  0
    1165. 

  1165.   4 10  1  0  0  0  0
    1166. 

  1166.   4 11  1  0  0  0  0
    1167. 

  1167.   5  6  1  0  0  0  0
    1168. 

  1168.   5  7  1  0  0  0  0
    1169. 

  1169.   5  8  1  0  0  0  0
    1170. 

  1170. M  END
    1171. 

  1171. $$$$
    1172. 

  1172. dan062.sdf
    1173. 

  1173.   MOE2004           3D
    1174. 

  1174. 

  1175.  10  9  0  0  0  0  0  0  0  0999 V2000
    1176. 

  1176.    -1.2800    0.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1177. 

  1177.    -2.1360   -0.5140   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1178. 

  1178.    -1.3270    0.7920    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1179. 

  1179.    -1.3270    0.7920   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1180. 

  1180.     0.0000   -0.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1181. 

  1181.     1.2810    0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1182. 

  1182.     2.1360   -0.5150   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1183. 

  1183.     1.3270    0.7930   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1184. 

  1184.     1.3280    0.7900    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1185. 

  1185.    -0.0010   -1.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1186. 

  1186.   1  2  1  0  0  0  0
    1187. 

  1187.   1  3  1  0  0  0  0
    1188. 

  1188.   1  4  1  0  0  0  0
    1189. 

  1189.   1  5  1  0  0  0  0
    1190. 

  1190.   5  6  1  0  0  0  0
    1191. 

  1191.   5 10  2  0  0  0  0
    1192. 

  1192.   6  7  1  0  0  0  0
    1193. 

  1193.   6  8  1  0  0  0  0
    1194. 

  1194.   6  9  1  0  0  0  0
    1195. 

  1195. M  END
    1196. 

  1196. $$$$
    1197. 

  1197. dan063.sdf
    1198. 

  1198.   MOE2004           3D
    1199. 

  1199. 

  1200.  10  9  0  0  0  0  0  0  0  0999 V2000
    1201. 

  1201.    -1.0880    0.3380   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1202. 

  1202.    -0.9090    1.1070   -0.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1203. 

  1203.    -1.9930   -0.2120   -0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1204. 

  1204.    -1.2740    0.8480    0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1205. 

  1205.     0.0950   -0.6050   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1206. 

  1206.    -0.0870   -1.3590    0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1207. 

  1207.     0.2610   -1.1190   -1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1208. 

  1208.     1.3380    0.1560    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1209. 

  1209.     1.2720    0.7640    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1210. 

  1210.     2.3860    0.0830   -0.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1211. 

  1211.   1  2  1  0  0  0  0
    1212. 

  1212.   1  3  1  0  0  0  0
    1213. 

  1213.   1  4  1  0  0  0  0
    1214. 

  1214.   1  5  1  0  0  0  0
    1215. 

  1215.   5  6  1  0  0  0  0
    1216. 

  1216.   5  7  1  0  0  0  0
    1217. 

  1217.   5  8  1  0  0  0  0
    1218. 

  1218.   8  9  1  0  0  0  0
    1219. 

  1219.   8 10  2  0  0  0  0
    1220. 

  1220. M  END
    1221. 

  1221. $$$$
    1222. 

  1222. dan064.sdf
    1223. 

  1223.   MOE2004           3D
    1224. 

  1224. 

  1225.  10 10  0  0  1  0  0  0  0  0999 V2000
    1226. 

  1226.     1.2080    0.2030   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1227. 

  1227.     1.0850    0.2480   -1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1228. 

  1228.     1.7890    1.0750    0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1229. 

  1229.     1.7850   -0.6950    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1230. 

  1230.    -0.0990    0.1760    0.5120 C   0  0  3  0  0  0  0  0  0  0  0  0
    1231. 

  1231.    -1.3250   -0.4250   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1232. 

  1232.    -1.2310   -0.9120   -1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1233. 

  1233.    -2.0920   -0.8350    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1234. 

  1234.    -1.1130    0.9940   -0.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1235. 

  1235.    -0.0080    0.1710    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1236. 

  1236.   1  2  1  0  0  0  0
    1237. 

  1237.   1  3  1  0  0  0  0
    1238. 

  1238.   1  4  1  0  0  0  0
    1239. 

  1239.   1  5  1  0  0  0  0
    1240. 

  1240.   5  6  1  0  0  0  0
    1241. 

  1241.   5  9  1  0  0  0  0
    1242. 

  1242.   5 10  1  0  0  0  0
    1243. 

  1243.   6  7  1  0  0  0  0
    1244. 

  1244.   6  8  1  0  0  0  0
    1245. 

  1245.   6  9  1  0  0  0  0
    1246. 

  1246. M  END
    1247. 

  1247. $$$$
    1248. 

  1248. dan065.sdf
    1249. 

  1249.   MOE2004           3D
    1250. 

  1250. 

  1251.  11 10  0  0  0  0  0  0  0  0999 V2000
    1252. 

  1252.    -1.2250   -0.5460    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1253. 

  1253.    -1.3040   -0.6540    1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1254. 

  1254.    -2.2320   -0.4960   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1255. 

  1255.    -0.7320   -1.4490   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1256. 

  1256.    -0.4270    0.6950   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1257. 

  1257.    -0.3350    0.8090   -1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1258. 

  1258.    -0.9370    1.5850    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1259. 

  1259.     0.8660    0.6480    0.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1260. 

  1260.     1.8440   -0.0160   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1261. 

  1261.     1.4870   -0.4520   -1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1262. 

  1262.     2.9950   -0.1240    0.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1263. 

  1263.   1  2  1  0  0  0  0
    1264. 

  1264.   1  3  1  0  0  0  0
    1265. 

  1265.   1  4  1  0  0  0  0
    1266. 

  1266.   1  5  1  0  0  0  0
    1267. 

  1267.   5  6  1  0  0  0  0
    1268. 

  1268.   5  7  1  0  0  0  0
    1269. 

  1269.   5  8  1  0  0  0  0
    1270. 

  1270.   8  9  1  0  0  0  0
    1271. 

  1271.   9 10  1  0  0  0  0
    1272. 

  1272.   9 11  2  0  0  0  0
    1273. 

  1273. M  END
    1274. 

  1274. $$$$
    1275. 

  1275. dan066.sdf
    1276. 

  1276.   MOE2004           3D
    1277. 

  1277. 

  1278.  11 10  0  0  0  0  0  0  0  0999 V2000
    1279. 

  1279.    -0.9730   -0.8880    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1280. 

  1280.    -0.4870   -1.2660   -0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1281. 

  1281.    -0.4870   -1.2650    0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1282. 

  1282.    -2.0040   -1.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1283. 

  1283.    -0.9940    0.6190    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1284. 

  1284.    -2.0430    1.2520   -0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    1285. 

  1285.     0.2170    1.2530    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1286. 

  1286.     1.4450    0.5150   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1287. 

  1287.     1.5310   -0.0970    0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1288. 

  1288.     1.5250   -0.0980   -0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1289. 

  1289.     2.2690    1.2330   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1290. 

  1290.   1  2  1  0  0  0  0
    1291. 

  1291.   1  3  1  0  0  0  0
    1292. 

  1292.   1  4  1  0  0  0  0
    1293. 

  1293.   1  5  1  0  0  0  0
    1294. 

  1294.   5  6  2  0  0  0  0
    1295. 

  1295.   5  7  1  0  0  0  0
    1296. 

  1296.   7  8  1  0  0  0  0
    1297. 

  1297.   8  9  1  0  0  0  0
    1298. 

  1298.   8 10  1  0  0  0  0
    1299. 

  1299.   8 11  1  0  0  0  0
    1300. 

  1300. M  END
    1301. 

  1301. $$$$
    1302. 

  1302. dan067.sdf
    1303. 

  1303.   MOE2004           3D
    1304. 

  1304. 

  1305.  11 10  0  0  0  0  0  0  0  0999 V2000
    1306. 

  1306.     1.1490   -0.1030   -0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1307. 

  1307.     1.0080   -0.7860   -1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1308. 

  1308.     1.0910    0.9190   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1309. 

  1309.     2.1540   -0.2580   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1310. 

  1310.     0.1040   -0.3440    0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1311. 

  1311.     0.1950   -1.3620    0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1312. 

  1312.     0.2410    0.3340    1.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1313. 

  1313.    -1.2900   -0.1780    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1314. 

  1314.    -2.0200   -1.1070   -0.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
    1315. 

  1315.    -1.6570    1.1210   -0.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
    1316. 

  1316.    -0.9750    1.7640    0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1317. 

  1317.   1  2  1  0  0  0  0
    1318. 

  1318.   1  3  1  0  0  0  0
    1319. 

  1319.   1  4  1  0  0  0  0
    1320. 

  1320.   1  5  1  0  0  0  0
    1321. 

  1321.   5  6  1  0  0  0  0
    1322. 

  1322.   5  7  1  0  0  0  0
    1323. 

  1323.   5  8  1  0  0  0  0
    1324. 

  1324.   8  9  2  0  0  0  0
    1325. 

  1325.   8 10  1  0  0  0  0
    1326. 

  1326.  10 11  1  0  0  0  0
    1327. 

  1327. M  …
    1328.

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