matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11579.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.5120   -5.1660   20.2160 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7780   -5.0660   21.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1800   -4.9140   22.6800 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4340   -4.4600   22.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2120   -3.8080   21.9530 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7850   -3.0040   20.9390 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8680   -2.5050   20.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400   -2.5560   20.8820 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0050   -4.5960   24.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3850   -5.1810   25.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -5.2380   26.7010 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9740   -5.4180   26.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -5.4560   23.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1220   -5.6630   25.0730 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5610   -6.4440   26.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780   -7.0900   26.9300 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6110   -6.7080   23.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980   -6.9800   23.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240   -5.7510   23.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9160   -4.6020   24.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3140   -4.2620   23.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -3.0660   18.4540 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  6
  4  3  1  0
  5  4  1  0
  6  5  1  0
  6  7  1  0
  6  8  1  1
  9  4  1  0
 10  9  1  0
 11 10  1  0
 12 11  1  0
 13  3  1  0
 14 13  1  0
 14 10  1  0
 14 15  1  6
 16 15  1  0
 13 17  1  0
 18 17  1  0
 19 18  1  0
 20 19  1  0
 21 13  1  0
 21 20  1  0
  7 22  1  0
M  END