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PDBbind_test

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Add batch 1

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  1. 5zcu/5zcu_input_conf_0.sdf +81 -0
  2. 5zcu/5zcu_input_conf_1.sdf +81 -0
  3. 5zcu/5zcu_input_conf_2.sdf +81 -0
  4. 5zcu/5zcu_input_conf_3.sdf +81 -0
  5. 5zcu/5zcu_input_conf_4.sdf +81 -0
  6. 5zcu/5zcu_input_conf_5.sdf +81 -0
  7. 5zcu/5zcu_input_conf_6.sdf +81 -0
  8. 5zcu/5zcu_input_conf_7.sdf +81 -0
  9. 5zcu/5zcu_input_conf_8.sdf +81 -0
  10. 5zcu/5zcu_input_conf_9.sdf +81 -0
  11. 5ze6/5ze6_input_conf_0.sdf +126 -0
  12. 5ze6/5ze6_input_conf_1.sdf +126 -0
  13. 5ze6/5ze6_input_conf_2.sdf +126 -0
  14. 5ze6/5ze6_input_conf_3.sdf +126 -0
  15. 5ze6/5ze6_input_conf_4.sdf +126 -0
  16. 5ze6/5ze6_input_conf_5.sdf +126 -0
  17. 5ze6/5ze6_input_conf_6.sdf +126 -0
  18. 5ze6/5ze6_input_conf_7.sdf +126 -0
  19. 5ze6/5ze6_input_conf_8.sdf +126 -0
  20. 5ze6/5ze6_input_conf_9.sdf +126 -0
  21. 5zjy/5zjy_input_conf_0.sdf +508 -0
  22. 5zjy/5zjy_input_conf_1.sdf +508 -0
  23. 5zjy/5zjy_input_conf_2.sdf +508 -0
  24. 5zjy/5zjy_input_conf_3.sdf +508 -0
  25. 5zjy/5zjy_input_conf_4.sdf +508 -0
  26. 5zjy/5zjy_input_conf_5.sdf +508 -0
  27. 5zjy/5zjy_input_conf_6.sdf +508 -0
  28. 5zjy/5zjy_input_conf_7.sdf +508 -0
  29. 5zjy/5zjy_input_conf_8.sdf +508 -0
  30. 5zjy/5zjy_input_conf_9.sdf +508 -0
  31. 5zjz/5zjz_input_conf_0.sdf +558 -0
  32. 5zjz/5zjz_input_conf_1.sdf +558 -0
  33. 5zjz/5zjz_input_conf_2.sdf +558 -0
  34. 5zjz/5zjz_input_conf_3.sdf +558 -0
  35. 5zjz/5zjz_input_conf_4.sdf +558 -0
  36. 5zjz/5zjz_input_conf_5.sdf +558 -0
  37. 5zjz/5zjz_input_conf_6.sdf +558 -0
  38. 5zjz/5zjz_input_conf_7.sdf +558 -0
  39. 5zjz/5zjz_input_conf_8.sdf +558 -0
  40. 5zjz/5zjz_input_conf_9.sdf +558 -0
  41. 5zk5/5zk5_input_conf_0.sdf +503 -0
  42. 5zk5/5zk5_input_conf_1.sdf +503 -0
  43. 5zk5/5zk5_input_conf_2.sdf +503 -0
  44. 5zk5/5zk5_input_conf_3.sdf +503 -0
  45. 5zk5/5zk5_input_conf_4.sdf +503 -0
  46. 5zk5/5zk5_input_conf_5.sdf +503 -0
  47. 5zk5/5zk5_input_conf_6.sdf +503 -0
  48. 5zk5/5zk5_input_conf_7.sdf +503 -0
  49. 5zk5/5zk5_input_conf_8.sdf +503 -0
  50. 5zk5/5zk5_input_conf_9.sdf +503 -0
5zcu/5zcu_input_conf_0.sdf ADDED
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+ M END
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+ > <_TriposChargeType> (1)
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+ GAST_HUCK
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+
503
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+ M CHG 5 1 1 15 1 44 1 53 -1 118 1
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+ M END
500
+ > <_TriposChargeType> (1)
501
+ GAST_HUCK
502
+
503
+ $$$$