matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10314.mol

Summary

Maintainability
Test Coverage
x10314
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.9200    0.4510   17.7140 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    1.0670   21.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6090    0.5420   20.8670 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490    0.7870   20.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4940    0.0080   21.3450 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    1.1330   18.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5340    0.3490   24.1100 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6870    0.9650   17.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6600   -1.8000   20.3550 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    0.1310   18.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8640    0.3190   20.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8100   -0.1140   21.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2480   -0.9180   22.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7370   -0.7490   22.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2410    0.0190   23.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3840   -0.0930   23.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9920   -0.8970   22.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9370   -1.3880   21.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6470   -1.2370   21.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  1  8  2  0
  6  8  1  0
  1 10  1  0
  4 11  1  0
  5 11  1  0
 10 11  2  0
  3 12  2  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
  7 15  2  0
 14 15  1  0
  7 16  1  0
 16 17  2  0
  9 18  3  0
 17 18  1  0
 14 19  2  0
 17 19  1  0
M  END