PageRenderTime 22ms CodeModel.GetById 17ms RepoModel.GetById 0ms app.codeStats 0ms

/data/dan008.sdf

http://github.com/rajarshi/cdkr
Unknown | 82 lines | 81 code | 1 blank | 0 comment | 0 complexity | 0ce8da8b0042e936b5435be6b626f984 MD5 | raw file
  1. dan008.sdf
  2. -ISIS- 3D
  3. 37 39 0 0 0 0 0 0 0 0 1 V2000
  4. -6.7650 -2.7935 -0.4488 N 0 0 0 0 0
  5. -5.6267 -2.0709 -0.4904 C 0 0 0 0 0
  6. -5.7079 -0.8123 -0.5357 N 0 0 0 0 0
  7. -4.6887 -0.0668 -0.5789 C 0 0 0 0 0
  8. -3.4091 -0.6466 -0.5781 C 0 0 0 0 0
  9. -3.4280 -2.0493 -0.5250 C 0 0 0 0 0
  10. -4.5216 -2.6791 -0.4841 N 0 0 0 0 0
  11. -4.9236 1.2585 -0.6245 N 0 0 0 0 0
  12. -2.1579 -0.0025 -0.6236 C 0 0 0 0 0
  13. -1.0245 -0.8364 -0.6157 C 0 0 0 0 0
  14. -1.2471 -2.2156 -0.5572 C 0 0 0 0 0
  15. -2.3841 -2.7573 -0.5151 N 0 0 0 0 0
  16. -2.0169 1.5013 -0.6812 C 0 0 0 0 0
  17. 0.3941 -0.3171 -0.6657 C 0 0 0 0 0
  18. 0.7002 0.3570 0.5743 N 0 0 0 0 0
  19. 1.7691 1.1533 0.7905 C 0 0 0 0 0
  20. 1.7516 1.9692 1.9242 C 0 0 0 0 0
  21. 2.8264 2.8169 2.1988 C 0 0 0 0 0
  22. 3.9327 2.8584 1.3449 C 0 0 0 0 0
  23. 3.9578 2.0379 0.2081 C 0 0 0 0 0
  24. 2.8780 1.1891 -0.0610 C 0 0 0 0 0
  25. 5.2937 2.0304 -0.8923 Cl 0 0 0 0 0
  26. 5.2311 3.9312 1.7412 Cl 0 0 0 0 0
  27. -7.6208 -2.2425 -0.4645 H 0 0 0 0 0
  28. -6.6316 -3.8022 -0.4100 H 0 0 0 0 0
  29. -5.9097 1.5136 -0.6176 H 0 0 0 0 0
  30. -4.1038 1.8535 -0.6612 H 0 0 0 0 0
  31. -0.4046 -2.9252 -0.5430 H 0 0 0 0 0
  32. -2.4653 1.9684 0.2246 H 0 0 0 0 0
  33. -0.9669 1.8612 -0.7106 H 0 0 0 0 0
  34. -2.4960 1.9008 -1.6035 H 0 0 0 0 0
  35. 1.1175 -1.1542 -0.7956 H 0 0 0 0 0
  36. 0.5116 0.3634 -1.5402 H 0 0 0 0 0
  37. 0.0207 0.4657 1.3299 H 0 0 0 0 0
  38. 0.8866 1.9522 2.6089 H 0 0 0 0 0
  39. 2.7875 3.4529 3.0999 H 0 0 0 0 0
  40. 2.9111 0.5450 -0.9547 H 0 0 0 0 0
  41. 1 2 1 0 0 0
  42. 1 24 1 0 0 0
  43. 1 25 1 0 0 0
  44. 2 3 4 0 0 0
  45. 2 7 4 0 0 0
  46. 3 4 4 0 0 0
  47. 4 5 4 0 0 0
  48. 4 8 1 0 0 0
  49. 5 6 4 0 0 0
  50. 5 9 4 0 0 0
  51. 6 7 4 0 0 0
  52. 6 12 4 0 0 0
  53. 8 26 1 0 0 0
  54. 8 27 1 0 0 0
  55. 9 10 4 0 0 0
  56. 9 13 1 0 0 0
  57. 10 11 4 0 0 0
  58. 10 14 1 0 0 0
  59. 11 12 4 0 0 0
  60. 11 28 1 0 0 0
  61. 13 29 1 0 0 0
  62. 13 30 1 0 0 0
  63. 13 31 1 0 0 0
  64. 14 15 1 0 0 0
  65. 14 32 1 0 0 0
  66. 14 33 1 0 0 0
  67. 15 16 1 0 0 0
  68. 15 34 1 0 0 0
  69. 16 17 4 0 0 0
  70. 16 21 4 0 0 0
  71. 17 18 4 0 0 0
  72. 17 35 1 0 0 0
  73. 18 19 4 0 0 0
  74. 18 36 1 0 0 0
  75. 19 20 4 0 0 0
  76. 19 23 1 0 0 0
  77. 20 21 4 0 0 0
  78. 20 22 1 0 0 0
  79. 21 37 1 0 0 0
  80. M END
  81. $$$$