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/data/dan003.sdf

http://github.com/rajarshi/cdkr
Unknown | 82 lines | 81 code | 1 blank | 0 comment | 0 complexity | 314892e68876cf9d763b8ddc1d319077 MD5 | raw file
  1. dan003.sdf
  2. -ISIS- 3D
  3. 37 39 0 0 0 0 0 0 0 0 1 V2000
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  19. 1.5084 0.8885 0.4665 C 0 0 0 0 0
  20. 1.4998 1.7037 1.6008 C 0 0 0 0 0
  21. 2.5757 2.5522 1.8811 C 0 0 0 0 0
  22. 3.6842 2.5926 1.0195 C 0 0 0 0 0
  23. 3.6945 1.7704 -0.1194 C 0 0 0 0 0
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  25. 2.4750 3.5274 3.3096 Cl 0 0 0 0 0
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  27. 5.0199 1.7509 -1.2357 Cl 0 0 0 0 0
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  38. -0.2384 0.2030 1.0101 H 0 0 0 0 0
  39. 0.6286 1.6738 2.2773 H 0 0 0 0 0
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  80. M END
  81. $$$$