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http://github.com/rajarshi/cdkr
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   1dan001.sdf
   2  MOE2004           3D
   3
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  15$$$$
  16dan002.sdf
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  18
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  32  MOE2004           3D
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  60$$$$
  61dan005.sdf
  62  MOE2004           3D
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  76dan006.sdf
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 107  MOE2004           3D
 108
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 121dan009.sdf
 122  MOE2004           3D
 123
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 136dan010.sdf
 137  MOE2004           3D
 138
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 150$$$$
 151dan011.sdf
 152  MOE2004           3D
 153
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 165$$$$
 166dan012.sdf
 167  MOE2004           3D
 168
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 181dan013.sdf
 182  MOE2004           3D
 183
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 196dan014.sdf
 197  MOE2004           3D
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 225  MOE2004           3D
 226
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 238$$$$
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 240  MOE2004           3D
 241
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 256
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 317$$$$
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 338$$$$
 339dan023.sdf
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 341
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 346   -1.2670    1.2600    0.0800 F   0  0  0  0  0  0  0  0  0  0  0  0
 347   -1.2670   -0.5610   -1.1320 F   0  0  0  0  0  0  0  0  0  0  0  0
 348    1.2670    0.5600    1.1320 F   0  0  0  0  0  0  0  0  0  0  0  0
 349    1.2670   -1.2600   -0.0810 F   0  0  0  0  0  0  0  0  0  0  0  0
 350    1.2670    0.7010   -1.0510 F   0  0  0  0  0  0  0  0  0  0  0  0
 351  1  2  1  0  0  0  0
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 353  1  7  1  0  0  0  0
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 355  2  3  1  0  0  0  0
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 358M  END
 359$$$$
 360dan024.sdf
 361  MOE2004           3D
 362
 363  8  7  0  0  0  0  0  0  0  0999 V2000
 364   -0.7650    0.0000   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
 365    0.6810    0.0000    0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
 366    0.7040    0.0000    1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
 367    1.5560    1.4570   -0.2470 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 368    1.5560   -1.4570   -0.2470 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 369   -1.4380    1.0890    0.2660 F   0  0  0  0  0  0  0  0  0  0  0  0
 370   -0.8570    0.0000   -1.5430 F   0  0  0  0  0  0  0  0  0  0  0  0
 371   -1.4370   -1.0900    0.2660 F   0  0  0  0  0  0  0  0  0  0  0  0
 372  1  2  1  0  0  0  0
 373  1  6  1  0  0  0  0
 374  1  7  1  0  0  0  0
 375  1  8  1  0  0  0  0
 376  2  3  1  0  0  0  0
 377  2  4  1  0  0  0  0
 378  2  5  1  0  0  0  0
 379M  END
 380$$$$
 381dan025.sdf
 382  MOE2004           2D
 383
 384  6  5  0  0  0  0  0  0  0  0999 V2000
 385    0.5480   -0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 386    0.5390   -1.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 387   -0.5650    0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 388   -0.5630    2.0170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 389   -2.1090   -0.4940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 390    2.1490    0.1570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 391  1  2  1  0  0  0  0
 392  1  3  2  0  0  0  0
 393  1  6  1  0  0  0  0
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 395  3  5  1  0  0  0  0
 396M  END
 397$$$$
 398dan026.sdf
 399  MOE2004           3D
 400
 401  7  6  0  0  0  0  0  0  0  0999 V2000
 402   -0.5030    0.0000   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
 403    0.8170    0.0000    0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
 404    0.7640   -0.0010    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
 405    1.9220    0.0000   -0.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
 406   -1.8170   -0.0020    0.9140 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 407   -0.5910    1.4620   -1.2770 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 408   -0.5910   -1.4590   -1.2810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 409  1  2  1  0  0  0  0
 410  1  5  1  0  0  0  0
 411  1  6  1  0  0  0  0
 412  1  7  1  0  0  0  0
 413  2  3  1  0  0  0  0
 414  2  4  2  0  0  0  0
 415M  END
 416$$$$
 417dan027.sdf
 418  MOE2004           3D
 419
 420  8  7  0  0  0  0  0  0  0  0999 V2000
 421    0.7290    0.0000   -0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
 422    0.7320    0.0000   -1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
 423   -0.7330    0.0000    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
 424   -1.6190    1.4410   -0.3960 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 425   -1.6200   -1.4400   -0.4000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 426   -0.8130   -0.0020    1.9950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 427    1.6620    1.4510    0.1710 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 428    1.6620   -1.4500    0.1720 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 429  1  2  1  0  0  0  0
 430  1  3  1  0  0  0  0
 431  1  7  1  0  0  0  0
 432  1  8  1  0  0  0  0
 433  3  4  1  0  0  0  0
 434  3  5  1  0  0  0  0
 435  3  6  1  0  0  0  0
 436M  END
 437$$$$
 438dan028.sdf
 439  MOE2004           3D
 440
 441  8  7  0  0  0  0  0  0  0  0999 V2000
 442    0.7340    0.0000   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
 443    0.8300    0.0000   -1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
 444   -0.7230    0.0000    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
 445   -1.3770    1.0910   -0.2960 F   0  0  0  0  0  0  0  0  0  0  0  0
 446   -1.3770   -1.0920   -0.2940 F   0  0  0  0  0  0  0  0  0  0  0  0
 447   -0.8570    0.0010    1.5320 F   0  0  0  0  0  0  0  0  0  0  0  0
 448    1.3850    1.0910    0.2370 F   0  0  0  0  0  0  0  0  0  0  0  0
 449    1.3850   -1.0910    0.2370 F   0  0  0  0  0  0  0  0  0  0  0  0
 450  1  2  1  0  0  0  0
 451  1  3  1  0  0  0  0
 452  1  7  1  0  0  0  0
 453  1  8  1  0  0  0  0
 454  3  4  1  0  0  0  0
 455  3  5  1  0  0  0  0
 456  3  6  1  0  0  0  0
 457M  END
 458$$$$
 459dan029.sdf
 460  MOE2004           3D
 461
 462  8  7  0  0  0  0  0  0  0  0999 V2000
 463   -0.6310    0.4170   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
 464   -0.6520    1.0980   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
 465    0.6310   -0.4170   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
 466    0.6520   -1.0990   -0.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
 467   -2.2080   -0.7110   -0.3750 Br  0  0  0  0  0  0  0  0  0  0  0  0
 468   -0.8320    1.5690    1.4470 Br  0  0  0  0  0  0  0  0  0  0  0  0
 469    0.8320   -1.5680    1.4480 Br  0  0  0  0  0  0  0  0  0  0  0  0
 470    2.2080    0.7100   -0.3750 Br  0  0  0  0  0  0  0  0  0  0  0  0
 471  1  2  1  0  0  0  0
 472  1  3  1  0  0  0  0
 473  1  5  1  0  0  0  0
 474  1  6  1  0  0  0  0
 475  3  4  1  0  0  0  0
 476  3  7  1  0  0  0  0
 477  3  8  1  0  0  0  0
 478M  END
 479$$$$
 480dan030.sdf
 481  MOE2004           3D
 482
 483  8  7  0  0  0  0  0  0  0  0999 V2000
 484   -0.6130    0.0000    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
 485    0.6040    0.0000   -0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
 486    0.5980   -0.8820   -1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
 487    0.5980    0.8820   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
 488   -0.6340   -1.4580    1.4280 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 489   -0.6350    1.4600    1.4250 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 490   -2.1020   -0.0020   -0.5990 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 491    2.1840    0.0000    0.2960 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 492  1  2  1  0  0  0  0
 493  1  5  1  0  0  0  0
 494  1  6  1  0  0  0  0
 495  1  7  1  0  0  0  0
 496  2  3  1  0  0  0  0
 497  2  4  1  0  0  0  0
 498  2  8  1  0  0  0  0
 499M  END
 500$$$$
 501dan031.sdf
 502  MOE2004           3D
 503
 504  8  7  0  0  0  0  0  0  0  0999 V2000
 505   -0.6720    0.3770    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
 506   -0.7330    1.0250    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
 507    0.6720   -0.3770    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
 508    0.7330   -1.0250    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
 509   -0.8990    1.4330   -1.3200 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 510   -2.0520   -0.7510    0.2290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 511    0.8990   -1.4340   -1.3200 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 512    2.0530    0.7510    0.2290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 513  1  2  1  0  0  0  0
 514  1  3  1  0  0  0  0
 515  1  5  1  0  0  0  0
 516  1  6  1  0  0  0  0
 517  3  4  1  0  0  0  0
 518  3  7  1  0  0  0  0
 519  3  8  1  0  0  0  0
 520M  END
 521$$$$
 522dan032.sdf
 523  MOE2004           2D
 524
 525  6  5  0  0  0  0  0  0  0  0999 V2000
 526    0.0010    0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 527   -0.9300    1.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 528    0.9350    1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 529   -0.0010   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 530    1.1690   -1.2970    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
 531   -1.1730   -1.2930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
 532  1  2  1  0  0  0  0
 533  1  3  1  0  0  0  0
 534  1  4  2  0  0  0  0
 535  4  5  1  0  0  0  0
 536  4  6  1  0  0  0  0
 537M  END
 538$$$$
 539dan033.sdf
 540  MOE2004           3D
 541
 542  8  7  0  0  0  0  0  0  0  0999 V2000
 543    0.7000   -0.2950    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
 544    0.8580   -0.9610    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
 545   -0.7000    0.2950    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
 546   -0.8580    0.9610    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
 547   -0.9260    1.0020   -1.0780 F   0  0  0  0  0  0  0  0  0  0  0  0
 548   -1.6300   -0.6960    0.1010 F   0  0  0  0  0  0  0  0  0  0  0  0
 549    0.9270   -1.0030   -1.0770 F   0  0  0  0  0  0  0  0  0  0  0  0
 550    1.6300    0.6960    0.1010 F   0  0  0  0  0  0  0  0  0  0  0  0
 551  1  2  1  0  0  0  0
 552  1  3  1  0  0  0  0
 553  1  7  1  0  0  0  0
 554  1  8  1  0  0  0  0
 555  3  4  1  0  0  0  0
 556  3  5  1  0  0  0  0
 557  3  6  1  0  0  0  0
 558M  END
 559$$$$
 560dan034.sdf
 561  MOE2004           2D
 562
 563  6  5  0  0  0  0  0  0  0  0999 V2000
 564   -0.6720    0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 565   -0.6110    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 566   -1.6590   -0.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 567    0.4220   -0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 568    0.3670   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 569    2.1530    0.2400    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
 570  1  2  1  0  0  0  0
 571  1  3  1  0  0  0  0
 572  1  4  2  0  0  0  0
 573  4  5  1  0  0  0  0
 574  4  6  1  0  0  0  0
 575M  END
 576$$$$
 577dan035.sdf
 578  MOE2004           3D
 579
 580  7  6  0  0  0  0  0  0  0  0999 V2000
 581    0.3930   -0.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 582    0.1300   -1.1240    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
 583    0.1390   -1.1170   -0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
 584    1.4730   -0.3740    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
 585   -0.3330    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 586    0.2620    1.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 587   -2.0640    0.5570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 588  1  2  1  0  0  0  0
 589  1  3  1  0  0  0  0
 590  1  4  1  0  0  0  0
 591  1  5  1  0  0  0  0
 592  5  6  2  0  0  0  0
 593  5  7  1  0  0  0  0
 594M  END
 595$$$$
 596dan036.sdf
 597  MOE2004           3D
 598
 599  8  7  0  0  0  0  0  0  0  0999 V2000
 600    0.0000    0.0000   -0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
 601   -0.7230    0.7080   -1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
 602    0.9760    0.2720   -1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
 603   -0.2510   -0.9810   -1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
 604    0.0000    0.0000    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
 605   -0.4160   -1.6220    1.3130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 606    1.6120    0.4520    1.3130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 607   -1.1980    1.1710    1.3130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 608  1  2  1  0  0  0  0
 609  1  3  1  0  0  0  0
 610  1  4  1  0  0  0  0
 611  1  5  1  0  0  0  0
 612  5  6  1  0  0  0  0
 613  5  7  1  0  0  0  0
 614  5  8  1  0  0  0  0
 615M  END
 616$$$$
 617dan037.sdf
 618  MOE2004           3D
 619
 620  8  7  0  0  0  0  0  0  0  0999 V2000
 621   -0.5740    0.2910   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
 622   -0.4420    0.2710   -1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
 623    0.5760   -0.4240    0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
 624    0.5020   -0.3340    1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
 625    0.5850   -1.4890    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
 626    2.1670    0.2220   -0.1500 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 627   -2.1110   -0.5370   -0.0090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 628   -0.7020    1.9990    0.1310 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 629  1  2  1  0  0  0  0
 630  1  3  1  0  0  0  0
 631  1  7  1  0  0  0  0
 632  1  8  1  0  0  0  0
 633  3  4  1  0  0  0  0
 634  3  5  1  0  0  0  0
 635  3  6  1  0  0  0  0
 636M  END
 637$$$$
 638dan038.sdf
 639  MOE2004           2D
 640
 641  6  5  0  0  0  0  0  0  0  0999 V2000
 642   -0.6380   -0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 643   -0.6570   -1.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 644   -1.5810    0.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 645    0.5210    0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 646    0.6590    1.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 647    1.6960   -0.3030    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
 648  1  2  1  0  0  0  0
 649  1  3  1  0  0  0  0
 650  1  4  2  0  0  0  0
 651  4  5  1  0  0  0  0
 652  4  6  1  0  0  0  0
 653M  END
 654$$$$
 655dan039.sdf
 656  MOE2004           3D
 657
 658  8  7  0  0  0  0  0  0  0  0999 V2000
 659   -0.7930    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 660   -1.1830    0.8830    0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
 661   -1.1830    0.0040   -1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
 662   -1.1830   -0.8870    0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
 663    0.7180    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 664    1.2080   -1.0970    0.6270 F   0  0  0  0  0  0  0  0  0  0  0  0
 665    1.2080    0.0050   -1.2640 F   0  0  0  0  0  0  0  0  0  0  0  0
 666    1.2080    1.0920    0.6360 F   0  0  0  0  0  0  0  0  0  0  0  0
 667  1  2  1  0  0  0  0
 668  1  3  1  0  0  0  0
 669  1  4  1  0  0  0  0
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 672  5  7  1  0  0  0  0
 673  5  8  1  0  0  0  0
 674M  END
 675$$$$
 676dan040.sdf
 677  MOE2004           3D
 678
 679  8  7  0  0  0  0  0  0  0  0999 V2000
 680    0.0000   -0.7910   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
 681    0.0000   -0.7760   -1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
 682    0.8830   -1.3530    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
 683   -0.8830   -1.3530    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
 684    0.0000    0.6060    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
 685    0.0000    0.5810    1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
 686   -1.6120    1.5430   -0.1940 Br  0  0  0  0  0  0  0  0  0  0  0  0
 687    1.6120    1.5440   -0.1940 Br  0  0  0  0  0  0  0  0  0  0  0  0
 688  1  2  1  0  0  0  0
 689  1  3  1  0  0  0  0
 690  1  4  1  0  0  0  0
 691  1  5  1  0  0  0  0
 692  5  6  1  0  0  0  0
 693  5  7  1  0  0  0  0
 694  5  8  1  0  0  0  0
 695M  END
 696$$$$
 697dan041.sdf
 698  MOE2004           3D
 699
 700  8  7  0  0  0  0  0  0  0  0999 V2000
 701    0.6320   -0.1580    0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
 702    0.4510   -0.0250    1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
 703    1.1930   -1.0840    0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
 704   -0.6320   -0.1580   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
 705   -0.4510   -0.0240   -1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
 706   -1.1930   -1.0840   -0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
 707   -1.8370    1.2660    0.1420 Br  0  0  0  0  0  0  0  0  0  0  0  0
 708    1.8370    1.2660   -0.1420 Br  0  0  0  0  0  0  0  0  0  0  0  0
 709  1  2  1  0  0  0  0
 710  1  3  1  0  0  0  0
 711  1  4  1  0  0  0  0
 712  1  8  1  0  0  0  0
 713  4  5  1  0  0  0  0
 714  4  6  1  0  0  0  0
 715  4  7  1  0  0  0  0
 716M  END
 717$$$$
 718dan042.sdf
 719  MOE2004           3D
 720
 721  8  7  0  0  0  0  0  0  0  0999 V2000
 722    0.0000   -0.6380    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
 723    0.0000   -0.6270    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
 724    0.0000    0.7890   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
 725   -0.0020    1.5010    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
 726    0.8840    1.0130   -0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
 727   -0.8820    1.0120   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
 728    1.4550   -1.5250   -0.2030 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 729   -1.4560   -1.5250   -0.2030 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 730  1  2  1  0  0  0  0
 731  1  3  1  0  0  0  0
 732  1  7  1  0  0  0  0
 733  1  8  1  0  0  0  0
 734  3  4  1  0  0  0  0
 735  3  5  1  0  0  0  0
 736  3  6  1  0  0  0  0
 737M  END
 738$$$$
 739dan043.sdf
 740  MOE2004           3D
 741
 742  8  7  0  0  0  0  0  0  0  0999 V2000
 743    0.6710   -0.1260    0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
 744    0.5460   -0.0750    1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
 745    1.2210   -1.0410    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
 746   -0.6710   -0.1260   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
 747   -0.5460   -0.0750   -1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
 748   -1.2210   -1.0410   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
 749   -1.6990    1.2420    0.1420 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 750    1.6990    1.2420   -0.1420 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 751  1  2  1  0  0  0  0
 752  1  3  1  0  0  0  0
 753  1  4  1  0  0  0  0
 754  1  8  1  0  0  0  0
 755  4  5  1  0  0  0  0
 756  4  6  1  0  0  0  0
 757  4  7  1  0  0  0  0
 758M  END
 759$$$$
 760dan044.sdf
 761  MOE2004           3D
 762
 763  8  7  0  0  0  0  0  0  0  0999 V2000
 764    0.7510    0.0000   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
 765    0.7830    0.0000   -1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
 766    1.2770    0.8920    0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
 767    1.2770   -0.8920    0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
 768   -0.6810    0.0000    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
 769   -0.7600    0.0000    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
 770   -1.3240   -1.0900   -0.2170 F   0  0  0  0  0  0  0  0  0  0  0  0
 771   -1.3240    1.0900   -0.2170 F   0  0  0  0  0  0  0  0  0  0  0  0
 772  1  2  1  0  0  0  0
 773  1  3  1  0  0  0  0
 774  1  4  1  0  0  0  0
 775  1  5  1  0  0  0  0
 776  5  6  1  0  0  0  0
 777  5  7  1  0  0  0  0
 778  5  8  1  0  0  0  0
 779M  END
 780$$$$
 781dan045.sdf
 782  MOE2004           3D
 783
 784  8  7  0  0  0  0  0  0  0  0999 V2000
 785    0.6840   -0.0630    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
 786    0.6120    0.0520    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
 787    1.2340   -0.9770    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
 788   -0.6840   -0.0630   -0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
 789   -0.6110    0.0520   -1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
 790   -1.2330   -0.9770   -0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
 791   -1.4050    0.9880    0.1570 F   0  0  0  0  0  0  0  0  0  0  0  0
 792    1.4050    0.9880   -0.1570 F   0  0  0  0  0  0  0  0  0  0  0  0
 793  1  2  1  0  0  0  0
 794  1  3  1  0  0  0  0
 795  1  4  1  0  0  0  0
 796  1  8  1  0  0  0  0
 797  4  5  1  0  0  0  0
 798  4  6  1  0  0  0  0
 799  4  7  1  0  0  0  0
 800M  END
 801$$$$
 802dan046.sdf
 803  MOE2004           3D
 804
 805  8  7  0  0  0  0  0  0  0  0999 V2000
 806   -0.7260    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 807   -1.0220    1.3720    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
 808   -1.1280   -0.1510   -0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
 809   -1.1290   -0.1600    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
 810    0.7730    0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 811    1.5250    1.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 812    1.2110   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 813    0.4960   -1.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 814  1  2  1  0  0  0  0
 815  1  3  1  0  0  0  0
 816  1  4  1  0  0  0  0
 817  1  5  1  0  0  0  0
 818  5  6  2  0  0  0  0
 819  5  7  1  0  0  0  0
 820  7  8  1  0  0  0  0
 821M  END
 822$$$$
 823dan047.sdf
 824  MOE2004           3D
 825
 826  8  7  0  0  0  0  0  0  0  0999 V2000
 827   -1.0350   -0.1210   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
 828   -0.9800    0.9720   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
 829   -1.5930   -0.4720   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
 830   -1.5720   -0.4230    0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
 831    0.2480   -0.7570    0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
 832    1.3450    0.0480    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
 833    1.0940    1.1200    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
 834    2.4940   -0.3670   -0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
 835  1  2  1  0  0  0  0
 836  1  3  1  0  0  0  0
 837  1  4  1  0  0  0  0
 838  1  5  1  0  0  0  0
 839  5  6  1  0  0  0  0
 840  6  7  1  0  0  0  0
 841  6  8  2  0  0  0  0
 842M  END
 843$$$$
 844dan048.sdf
 845  MOE2004           3D
 846
 847  8  7  0  0  0  0  0  0  0  0999 V2000
 848   -0.6550    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 849   -0.3200    1.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 850   -1.2920    0.3150   -0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
 851   -1.2930    0.3140    0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
 852    0.4710   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 853    0.4440   -1.1850    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
 854    0.4440   -1.1850   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
 855    2.2000    0.3280    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
 856  1  2  1  0  0  0  0
 857  1  3  1  0  0  0  0
 858  1  4  1  0  0  0  0
 859  1  5  1  0  0  0  0
 860  5  6  1  0  0  0  0
 861  5  7  1  0  0  0  0
 862  5  8  1  0  0  0  0
 863M  END
 864$$$$
 865dan049.sdf
 866  MOE2004           3D
 867
 868  8  7  0  0  0  0  0  0  0  0999 V2000
 869   -0.6590    0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 870   -0.3650    1.4960    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
 871   -1.2870    0.2680   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
 872   -1.2880    0.2670    0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
 873    0.5210   -0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 874    0.5030   -1.1570    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
 875    0.5040   -1.1570   -0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
 876    2.0700    0.3590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 877  1  2  1  0  0  0  0
 878  1  3  1  0  0  0  0
 879  1  4  1  0  0  0  0
 880  1  5  1  0  0  0  0
 881  5  6  1  0  0  0  0
 882  5  7  1  0  0  0  0
 883  5  8  1  0  0  0  0
 884M  END
 885$$$$
 886dan050.sdf
 887  MOE2004           3D
 888
 889  8  7  0  0  0  0  0  0  0  0999 V2000
 890   -0.6680   -0.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 891   -0.4690   -1.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 892   -1.2710   -0.1360    0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
 893   -1.2710   -0.1350   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
 894    0.6160    0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 895    0.6950    1.0550   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
 896    0.6950    1.0550    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
 897    1.6730   -0.4320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
 898  1  2  1  0  0  0  0
 899  1  3  1  0  0  0  0
 900  1  4  1  0  0  0  0
 901  1  5  1  0  0  0  0
 902  5  6  1  0  0  0  0
 903  5  7  1  0  0  0  0
 904  5  8  1  0  0  0  0
 905M  END
 906$$$$
 907dan051.sdf
 908  MOE2004           3D
 909
 910  8  7  0  0  0  0  0  0  0  0999 V2000
 911   -0.6500    0.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 912   -0.2750    1.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 913   -1.2940    0.3650   -0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
 914   -1.2930    0.3650    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
 915    0.4370   -0.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 916    0.3390   -1.2220    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
 917    0.3390   -1.2220   -0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
 918    2.3980    0.2980    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
 919  1  2  1  0  0  0  0
 920  1  3  1  0  0  0  0
 921  1  4  1  0  0  0  0
 922  1  5  1  0  0  0  0
 923  5  6  1  0  0  0  0
 924  5  7  1  0  0  0  0
 925  5  8  1  0  0  0  0
 926M  END
 927$$$$
 928dan052.sdf
 929  MOE2004           3D
 930
 931  9  8  0  0  0  0  0  0  0  0999 V2000
 932   -1.2000   -0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 933   -1.0300    1.0450   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
 934   -1.7830   -0.3050   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
 935   -1.7810   -0.3000    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
 936    0.0000   -0.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 937    1.2000   -0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 938    1.0300    1.0450    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
 939    1.7840   -0.3060    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
 940    1.7800   -0.2990   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
 941  1  2  1  0  0  0  0
 942  1  3  1  0  0  0  0
 943  1  4  1  0  0  0  0
 944  1  5  1  0  0  0  0
 945  5  6  1  0  0  0  0
 946  6  7  1  0  0  0  0
 947  6  8  1  0  0  0  0
 948  6  9  1  0  0  0  0
 949M  END
 950$$$$
 951dan053.sdf
 952  MOE2004           3D
 953
 954  9  8  0  0  0  0  0  0  0  0999 V2000
 955   -0.8590   -0.2770   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
 956   -0.8900   -0.9370   -0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
 957   -0.9040   -0.9190    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
 958   -1.7420    0.3680   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
 959    0.4130    0.5480   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
 960    0.4610    1.1770   -0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
 961    0.4620    1.1950    0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
 962    1.5480   -0.3090   -0.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
 963    1.5100   -0.8450    0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
 964  1  2  1  0  0  0  0
 965  1  3  1  0  0  0  0
 966  1  4  1  0  0  0  0
 967  1  5  1  0  0  0  0
 968  5  6  1  0  0  0  0
 969  5  7  1  0  0  0  0
 970  5  8  1  0  0  0  0
 971  8  9  1  0  0  0  0
 972M  END
 973$$$$
 974dan054.sdf
 975  MOE2004           3D
 976
 977 10  9  0  0  0  0  0  0  0  0999 V2000
 978   -1.7620   -0.2730    0.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
 979   -2.4560    0.4100    0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
 980   -0.5110    0.4020    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
 981   -0.4570    1.0370    0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
 982   -0.4440    1.0540   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
 983    0.6250   -0.6130    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
 984    0.5730   -1.2410    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
 985    0.5560   -1.2840   -0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
 986    1.8880    0.0430    0.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
 987    1.9880    0.4640   -0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
 988  1  2  1  0  0  0  0
 989  1  3  1  0  0  0  0
 990  3  4  1  0  0  0  0
 991  3  5  1  0  0  0  0
 992  3  6  1  0  0  0  0
 993  6  7  1  0  0  0  0
 994  6  8  1  0  0  0  0
 995  6  9  1  0  0  0  0
 996  9 10  1  0  0  0  0
 997M  END
 998$$$$
 999dan055.sdf
1000  MOE2004           3D
1001
1002  9  8  0  0  0  0  0  0  0  0999 V2000
1003   -1.3960   -0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
1004   -1.0820    1.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
1005   -2.0110   -0.2030   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
1006   -2.0100   -0.2030    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
1007    0.0000   -1.1840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
1008    1.3960   -0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
1009    1.0820    1.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
1010    2.0100   -0.2030    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
1011    2.0110   -0.2030   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
1012  1  2  1  0  0  0  0
1013  1  3  1  0  0  0  0
1014  1  4  1  0  0  0  0
1015  1  5  1  0  0  0  0
1016  5  6  1  0  0  0  0
1017  6  7  1  0  0  0  0
1018  6  8  1  0  0  0  0
1019  6  9  1  0  0  0  0
1020M  END
1021$$$$
1022dan056.sdf
1023  MOE2004           3D
1024
1025  9  8  0  0  0  0  0  0  0  0999 V2000
1026   -0.8660    0.3400    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
1027   -0.8560    0.9770   -0.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
1028   -1.8140   -0.2060    0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
1029   -0.8510    0.9820    1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
1030    0.2950   -0.6390    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
1031    0.2490   -1.2780    1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
1032    0.2490   -1.2820   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
1033    1.8800    0.2440    0.1310 S   0  0  0  0  0  0  0  0  0  0  0  0
1034    1.7140    0.8640   -1.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
1035  1  2  1  0  0  0  0
1036  1  3  1  0  0  0  0
1037  1  4  1  0  0  0  0
1038  1  5  1  0  0  0  0
1039  5  6  1  0  0  0  0
1040  5  7  1  0  0  0  0
1041  5  8  1  0  0  0  0
1042  8  9  1  0  0  0  0
1043M  END
1044$$$$
1045dan057.sdf
1046  MOE2004           3D
1047
1048 10  9  0  0  0  0  0  0  0  0999 V2000
1049   -1.8170    0.1010   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
1050   -1.9810   -0.1340   -1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
1051   -2.7910    0.1900    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
1052   -1.3000    1.0600   -0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
1053   -0.8730   -1.2170    0.5450 S   0  0  0  0  0  0  0  0  0  0  0  0
1054    0.8740   -1.2170   -0.5450 S   0  0  0  0  0  0  0  0  0  0  0  0
1055    1.8170    0.1010    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
1056    1.9820   -0.1340    1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
1057    2.7910    0.1910   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
1058    1.2990    1.0590    0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
1059  1  2  1  0  0  0  0
1060  1  3  1  0  0  0  0
1061  1  4  1  0  0  0  0
1062  1  5  1  0  0  0  0
1063  5  6  1  0  0  0  0
1064  6  7  1  0  0  0  0
1065  7  8  1  0  0  0  0
1066  7  9  1  0  0  0  0
1067  7 10  1  0  0  0  0
1068M  END
1069$$$$
1070dan058.sdf
1071  MOE2004           3D
1072
1073 10  9  0  0  0  0  0  0  0  0999 V2000
1074   -1.7490    0.8250   -0.1380 S   0  0  0  0  0  0  0  0  0  0  0  0
1075   -1.0630    1.7810    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
1076   -0.6770   -0.5650    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
1077   -1.2090   -1.4860    0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
1078   -0.5570   -0.5540    1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
1079    0.6800   -0.5650   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
1080    1.2120   -1.4870   -0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
1081    0.5600   -0.5560   -1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
1082    1.7490    0.8260    0.1360 S   0  0  0  0  0  0  0  0  0  0  0  0
1083    1.0550    1.7810   -0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
1084  1  2  1  0  0  0  0
1085  1  3  1  0  0  0  0
1086  3  4  1  0  0  0  0
1087  3  5  1  0  0  0  0
1088  3  6  1  0  0  0  0
1089  6  7  1  0  0  0  0
1090  6  8  1  0  0  0  0
1091  6  9  1  0  0  0  0
1092  9 10  1  0  0  0  0
1093M  END
1094$$$$
1095dan059.sdf
1096  MOE2004           3D
1097
1098  9  8  0  0  0  0  0  0  0  0999 V2000
1099   -0.3880    1.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
1100   -0.1900    1.6860    0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
1101   -0.1880    1.6880   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
1102   -1.4550    0.8320   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
1103    0.4640   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
1104   -0.0050   -1.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
1105    0.6620   -2.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
1106   -1.0710   -1.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
1107    2.1700    0.1330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
1108  1  2  1  0  0  0  0
1109  1  3  1  0  0  0  0
1110  1  4  1  0  0  0  0
1111  1  5  1  0  0  0  0
1112  5  6  2  0  0  0  0
1113  5  9  1  0  0  0  0
1114  6  7  1  0  0  0  0
1115  6  8  1  0  0  0  0
1116M  END
1117$$$$
1118dan060.sdf
1119  MOE2004           3D
1120
1121 11 10  0  0  0  0  0  0  0  0999 V2000
1122   -1.2550    0.2790    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
1123   -1.3600    0.1200    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
1124   -1.2180    1.3580    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
1125    0.0000   -0.4030   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
1126    0.0000   -0.3430   -1.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
1127    1.2550    0.2790    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
1128    1.2180    1.3580    0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
1129    1.3600    0.1200    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
1130   -2.7450   -0.3090   -0.5950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
1131    0.0000   -2.1500    0.0650 Cl  0  0  0  0  0  0  0  0  0  0  0  0
1132    2.7450   -0.3090   -0.5950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
1133  1  2  1  0  0  0  0
1134  1  3  1  0  0  0  0
1135  1  4  1  0  0  0  0
1136  1  9  1  0  0  0  0
1137  4  5  1  0  0  0  0
1138  4  6  1  0  0  0  0
1139  4 10  1  0  0  0  0
1140  6  7  1  0  0  0  0
1141  6  8  1  0  0  0  0
1142  6 11  1  0  0  0  0
1143M  END
1144$$$$
1145dan061.sdf
1146  MOE2004           3D
1147
1148 11 10  0  0  1  0  0  0  0  0999 V2000
1149    1.0440   -0.4800    0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
1150    1.3950    0.4000    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
1151    1.2070   -1.3530    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
1152   -0.4420   -0.3280    0.2640 C   0  0  3  0  0  0  0  0  0  0  0  0
1153   -0.7440    0.8750   -0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
1154   -0.3090    0.7730   -1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
1155   -1.8240    1.0040   -0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
1156   -0.3520    1.7940   -0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
1157    2.1060   -0.6580   -0.8130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
1158   -1.0840   -1.8170   -0.4960 Cl  0  0  0  0  0  0  0  0  0  0  0  0
1159   -0.9970   -0.2100    1.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
1160  1  2  1  0  0  0  0
1161  1  3  1  0  0  0  0
1162  1  4  1  0  0  0  0
1163  1  9  1  0  0  0  0
1164  4  5  1  0  0  0  0
1165  4 10  1  0  0  0  0
1166  4 11  1  0  0  0  0
1167  5  6  1  0  0  0  0
1168  5  7  1  0  0  0  0
1169  5  8  1  0  0  0  0
1170M  END
1171$$$$
1172dan062.sdf
1173  MOE2004           3D
1174
1175 10  9  0  0  0  0  0  0  0  0999 V2000
1176   -1.2800    0.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
1177   -2.1360   -0.5140   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
1178   -1.3270    0.7920    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
1179   -1.3270    0.7920   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
1180    0.0000   -0.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
1181    1.2810    0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
1182    2.1360   -0.5150   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
1183    1.3270    0.7930   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
1184    1.3280    0.7900    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
1185   -0.0010   -1.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
1186  1  2  1  0  0  0  0
1187  1  3  1  0  0  0  0
1188  1  4  1  0  0  0  0
1189  1  5  1  0  0  0  0
1190  5  6  1  0  0  0  0
1191  5 10  2  0  0  0  0
1192  6  7  1  0  0  0  0
1193  6  8  1  0  0  0  0
1194  6  9  1  0  0  0  0
1195M  END
1196$$$$
1197dan063.sdf
1198  MOE2004           3D
1199
1200 10  9  0  0  0  0  0  0  0  0999 V2000
1201   -1.0880    0.3380   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
1202   -0.9090    1.1070   -0.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
1203   -1.9930   -0.2120   -0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
1204   -1.2740    0.8480    0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
1205    0.0950   -0.6050   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
1206   -0.0870   -1.3590    0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
1207    0.2610   -1.1190   -1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
1208    1.3380    0.1560    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
1209    1.2720    0.7640    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
1210    2.3860    0.0830   -0.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
1211  1  2  1  0  0  0  0
1212  1  3  1  0  0  0  0
1213  1  4  1  0  0  0  0
1214  1  5  1  0  0  0  0
1215  5  6  1  0  0  0  0
1216  5  7  1  0  0  0  0
1217  5  8  1  0  0  0  0
1218  8  9  1  0  0  0  0
1219  8 10  2  0  0  0  0
1220M  END
1221$$$$
1222dan064.sdf
1223  MOE2004           3D
1224
1225 10 10  0  0  1  0  0  0  0  0999 V2000
1226    1.2080    0.2030   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
1227    1.0850    0.2480   -1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
1228    1.7890    1.0750    0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
1229    1.7850   -0.6950    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
1230   -0.0990    0.1760    0.5120 C   0  0  3  0  0  0  0  0  0  0  0  0
1231   -1.3250   -0.4250   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
1232   -1.2310   -0.9120   -1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
1233   -2.0920   -0.8350    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
1234   -1.1130    0.9940   -0.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
1235   -0.0080    0.1710    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
1236  1  2  1  0  0  0  0
1237  1  3  1  0  0  0  0
1238  1  4  1  0  0  0  0
1239  1  5  1  0  0  0  0
1240  5  6  1  0  0  0  0
1241  5  9  1  0  0  0  0
1242  5 10  1  0  0  0  0
1243  6  7  1  0  0  0  0
1244  6  8  1  0  0  0  0
1245  6  9  1  0  0  0  0
1246M  END
1247$$$$
1248dan065.sdf
1249  MOE2004           3D
1250
1251 11 10  0  0  0  0  0  0  0  0999 V2000
1252   -1.2250   -0.5460    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
1253   -1.3040   -0.6540    1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
1254   -2.2320   -0.4960   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
1255   -0.7320   -1.4490   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
1256   -0.4270    0.6950   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
1257   -0.3350    0.8090   -1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
1258   -0.9370    1.5850    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
1259    0.8660    0.6480    0.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
1260    1.8440   -0.0160   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
1261    1.4870   -0.4520   -1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
1262    2.9950   -0.1240    0.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
1263  1  2  1  0  0  0  0
1264  1  3  1  0  0  0  0
1265  1  4  1  0  0  0  0
1266  1  5  1  0  0  0  0
1267  5  6  1  0  0  0  0
1268  5  7  1  0  0  0  0
1269  5  8  1  0  0  0  0
1270  8  9  1  0  0  0  0
1271  9 10  1  0  0  0  0
1272  9 11  2  0  0  0  0
1273M  END
1274$$$$
1275dan066.sdf
1276  MOE2004           3D
1277
1278 11 10  0  0  0  0  0  0  0  0999 V2000
1279   -0.9730   -0.8880    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
1280   -0.4870   -1.2660   -0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
1281   -0.4870   -1.2650    0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
1282   -2.0040   -1.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
1283   -0.9940    0.6190    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
1284   -2.0430    1.2520   -0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
1285    0.2170    1.2530    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
1286    1.4450    0.5150   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
1287    1.5310   -0.0970    0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
1288    1.5250   -0.0980   -0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
1289    2.2690    1.2330   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
1290  1  2  1  0  0  0  0
1291  1  3  1  0  0  0  0
1292  1  4  1  0  0  0  0
1293  1  5  1  0  0  0  0
1294  5  6  2  0  0  0  0
1295  5  7  1  0  0  0  0
1296  7  8  1  0  0  0  0
1297  8  9  1  0  0  0  0
1298  8 10  1  0  0  0  0
1299  8 11  1  0  0  0  0
1300M  END
1301$$$$
1302dan067.sdf
1303  MOE2004           3D
1304
1305 11 10  0  0  0  0  0  0  0  0999 V2000
1306    1.1490   -0.1030   -0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
1307    1.0080   -0.7860   -1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
1308    1.0910    0.9190   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
1309    2.1540   -0.2580   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
1310    0.1040   -0.3440    0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
1311    0.1950   -1.3620    0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
1312    0.2410    0.3340    1.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
1313   -1.2900   -0.1780    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
1314   -2.0200   -1.1070   -0.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
1315   -1.6570    1.1210   -0.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
1316   -0.9750    1.7640    0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
1317  1  2  1  0  0  0  0
1318  1  3  1  0  0  0  0
1319  1  4  1  0  0  0  0
1320  1  5  1  0  0  0  0
1321  5  6  1  0  0  0  0
1322  5  7  1  0  0  0  0
1323  5  8  1  0  0  0  0
1324  8  9  2  0  0  0  0
1325  8 10  1  0  0  0  0
1326 10 11  1  0  0  0  0
1327M  …

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