matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10049.mol

Summary

Maintainability
Test Coverage
x10049
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.6020   -0.6780   25.6250 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9160    0.7690   24.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8590    1.7530   25.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0630   -0.7560   25.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020   -0.3940   23.8430 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9290    0.8060   26.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6560    4.7600   23.9990 S   0  0  2  0  0  0  0  0  0  0  0  0
    9.4520   -0.4690   24.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4090    4.9850   23.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1320    4.5690   25.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5210   -1.6560   23.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5740    5.8370   23.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4110   -1.4800   22.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4300   -0.3880   22.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7550    0.9030   22.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2960    2.1400   22.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6630    3.3180   22.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4720    3.2630   23.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9070    2.0460   23.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5450    0.8600   23.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    0.7500   25.5400 S   0  0  2  0  0  0  0  0  0  0  0  0
  1  4  1  0
  4  8  1  0
  5  8  1  0
  7  9  1  1
  7 10  2  0
  5 11  1  0
  7 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
  7 18  1  0
 17 18  1  0
 18 19  2  0
  5 20  1  0
 15 20  2  0
 19 20  1  0
  1 21  1  0
 21  2  1  6
  3 21  2  0
  6 21  2  0
M  END