aspirin.pdb 1.6 KB

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  1. HEADER
  2. HETATM 1 C UNK 0001 -0.778 -3.342 -0.910
  3. HETATM 2 O UNK 0001 -1.251 -3.633 -1.994
  4. HETATM 3 O UNK 0001 -0.469 -4.239 0.048
  5. HETATM 4 C UNK 0001 -0.569 -1.952 -0.480
  6. HETATM 5 C UNK 0001 -1.706 -1.156 -0.297
  7. HETATM 6 C UNK 0001 -1.565 0.180 0.087
  8. HETATM 7 C UNK 0001 -0.294 0.725 0.273
  9. HETATM 8 C UNK 0001 0.843 -0.060 0.075
  10. HETATM 9 C UNK 0001 0.703 -1.401 -0.291
  11. HETATM 10 O UNK 0001 1.883 -2.113 -0.531
  12. HETATM 11 C UNK 0001 2.213 -2.986 0.497
  13. HETATM 12 C UNK 0001 3.539 -3.621 0.208
  14. HETATM 13 O UNK 0001 1.510 -3.239 1.470
  15. HETATM 14 H UNK 0001 -0.081 -3.852 0.870
  16. HETATM 15 H UNK 0001 -2.698 -1.572 -0.462
  17. HETATM 16 H UNK 0001 -2.449 0.799 0.229
  18. HETATM 17 H UNK 0001 -0.189 1.769 0.561
  19. HETATM 18 H UNK 0001 1.830 0.376 0.201
  20. HETATM 19 H UNK 0001 4.294 -2.847 0.047
  21. HETATM 20 H UNK 0001 3.844 -4.225 1.067
  22. HETATM 21 H UNK 0001 3.456 -4.267 -0.669
  23. CONECT 1 2 3 4
  24. CONECT 2 1
  25. CONECT 3 1 14
  26. CONECT 4 1 5 9
  27. CONECT 5 4 6 15
  28. CONECT 6 5 7 16
  29. CONECT 7 6 8 17
  30. CONECT 8 7 9 18
  31. CONECT 9 4 8 10
  32. CONECT 10 9 11
  33. CONECT 11 10 12 13
  34. CONECT 12 11 19 20 21
  35. CONECT 13 11
  36. CONECT 14 3
  37. CONECT 15 5
  38. CONECT 16 6
  39. CONECT 17 7
  40. CONECT 18 8
  41. CONECT 19 12
  42. CONECT 20 12
  43. CONECT 21 12
  44. END