Advertisement
Pandaaaa906

Untitled

Sep 19th, 2022 (edited)
250
0
Never
Not a member of Pastebin yet? Sign Up, it unlocks many cool features!
text 1.72 KB | None | 0 0
  1. $RXN
  2.  
  3.  
  4.  
  5. 2 1 0
  6. $MOL
  7.  
  8. Ketcher 9212213372D 1 1.00000 0.00000 0
  9.  
  10. 3 2 0 0 0 0 999 V2000
  11. 7.9750 -2.4001 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
  12. 7.1089 -2.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  13. 8.8411 -2.8999 0.0000 A 0 0 0 0 0 0 0 0 0 0 0 0
  14. 1 2 1 0 0 0
  15. 1 3 1 0 0 0
  16. A 2
  17. M
  18. M END
  19. $MOL
  20.  
  21. Ketcher 9212213372D 1 1.00000 0.00000 0
  22.  
  23. 6 6 0 0 0 0 999 V2000
  24. 11.2598 -2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  25. 12.9902 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  26. 12.1266 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  27. 12.9902 -3.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  28. 11.2598 -3.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  29. 12.1288 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  30. 3 1 2 0 0 0
  31. 4 2 2 0 0 0
  32. 1 5 1 0 0 0
  33. 2 3 1 0 0 0
  34. 5 6 2 0 0 0
  35. 6 4 1 0 0 0
  36. M END
  37. $MOL
  38.  
  39. Ketcher 9212213372D 1 1.00000 0.00000 0
  40.  
  41. 6 6 0 0 0 0 999 V2000
  42. 16.8348 -1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  43. 18.5652 -1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  44. 17.7016 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  45. 18.5652 -2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  46. 16.8348 -2.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  47. 17.7038 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
  48. 3 1 2 0 0 0
  49. 4 2 2 0 0 0
  50. 1 5 1 0 0 0
  51. 2 3 1 0 0 0
  52. 5 6 2 0 0 0
  53. 6 4 1 0 0 0
  54. M END
  55.  
Advertisement
Add Comment
Please, Sign In to add comment
Advertisement