matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11493.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.5970    0.7890   20.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1710   -0.3630   20.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8110   -1.4380   21.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0660   -0.9810   22.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0130   -0.1790   23.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750    0.3140   24.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4100   -0.0010   23.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3060   -1.3260   21.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4520   -0.8490   22.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9880   -1.4320   21.8660 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1340   -0.7940   20.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500    0.0690   19.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    0.7450   19.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7120    1.4460   18.9050 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3920    1.1600   17.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3990    0.3290   17.9470 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8090    0.8450   21.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950    1.6010   21.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730    2.2960   20.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740    2.2230   19.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  8  4  1  0
  9  8  2  0
  9  7  1  0
 10  9  1  0
 11  2  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  1  0
 16 15  2  0
 16 12  1  0
 17 13  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 20 14  1  0
M  END