nicotine.pdb 4.6 KB

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  1. HEADER PROTEIN 25-AUG-08 NONE
  2. TITLE NULL
  3. COMPND MOLECULE: 184
  4. SOURCE NULL
  5. KEYWDS NULL
  6. EXPDTA NULL
  7. AUTHOR Marvin
  8. REVDAT 1 25-AUG-08 0
  9. HETATM 1 N UNK 0 2.066 -2.269 0.129 0.00 0.00 N+0
  10. HETATM 2 N UNK 0 -0.352 1.181 -0.413 0.00 0.00 N+0
  11. HETATM 3 C UNK 0 2.542 -0.987 0.731 0.00 0.00 C+0
  12. HETATM 4 C UNK 0 2.489 -1.212 2.267 0.00 0.00 C+0
  13. HETATM 5 C UNK 0 1.783 -2.566 2.444 0.00 0.00 C+0
  14. HETATM 6 C UNK 0 2.170 -3.317 1.164 0.00 0.00 C+0
  15. HETATM 7 C UNK 0 1.723 0.195 0.320 0.00 0.00 C+0
  16. HETATM 8 C UNK 0 2.616 -2.630 -1.204 0.00 0.00 C+0
  17. HETATM 9 C UNK 0 2.288 1.493 0.336 0.00 0.00 C+0
  18. HETATM 10 C UNK 0 0.364 0.083 -0.061 0.00 0.00 C+0
  19. HETATM 11 C UNK 0 1.521 2.611 -0.035 0.00 0.00 C+0
  20. HETATM 12 C UNK 0 0.180 2.427 -0.411 0.00 0.00 C+0
  21. HETATM 13 H UNK 0 3.587 -0.824 0.438 0.00 0.00 H+0
  22. HETATM 14 H UNK 0 3.506 -1.278 2.666 0.00 0.00 H+0
  23. HETATM 15 H UNK 0 1.958 -0.426 2.811 0.00 0.00 H+0
  24. HETATM 16 H UNK 0 2.114 -3.088 3.347 0.00 0.00 H+0
  25. HETATM 17 H UNK 0 0.697 -2.426 2.484 0.00 0.00 H+0
  26. HETATM 18 H UNK 0 3.194 -3.699 1.242 0.00 0.00 H+0
  27. HETATM 19 H UNK 0 1.485 -4.144 0.969 0.00 0.00 H+0
  28. HETATM 20 H UNK 0 3.695 -2.803 -1.157 0.00 0.00 H+0
  29. HETATM 21 H UNK 0 2.421 -1.821 -1.910 0.00 0.00 H+0
  30. HETATM 22 H UNK 0 2.131 -3.532 -1.581 0.00 0.00 H+0
  31. HETATM 23 H UNK 0 3.263 1.631 0.620 0.00 0.00 H+0
  32. HETATM 24 H UNK 0 -0.106 -0.822 -0.076 0.00 0.00 H+0
  33. HETATM 25 H UNK 0 1.934 3.546 -0.026 0.00 0.00 H+0
  34. HETATM 26 H UNK 0 -0.402 3.223 -0.680 0.00 0.00 H+0
  35. CONECT 1 3 6 8
  36. CONECT 2 10 12
  37. CONECT 3 1 4 7 13
  38. CONECT 4 3 5 14 15
  39. CONECT 5 4 6 16 17
  40. CONECT 6 1 5 18 19
  41. CONECT 7 3 9 10
  42. CONECT 8 1 20 21 22
  43. CONECT 9 7 11 23
  44. CONECT 10 2 7 24
  45. CONECT 11 9 12 25
  46. CONECT 12 2 11 26
  47. CONECT 13 3
  48. CONECT 14 4
  49. CONECT 15 4
  50. CONECT 16 5
  51. CONECT 17 5
  52. CONECT 18 6
  53. CONECT 19 6
  54. CONECT 20 8
  55. CONECT 21 8
  56. CONECT 22 8
  57. CONECT 23 9
  58. CONECT 24 10
  59. CONECT 25 11
  60. CONECT 26 12
  61. MASTER 0 0 0 0 0 0 0 0 26 0 54 0
  62. END