matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0691.mol

Summary

Maintainability
Test Coverage
x0691
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.3760   -5.5120   24.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8170   -1.9390   25.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520   -6.7520   25.9160 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770   -2.2290   25.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3930   -5.0920   21.7440 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6260   -5.1380   26.7600 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1080   -3.5580   25.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6800   -4.4710   19.6880 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -4.5580   25.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120   -4.2240   25.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040   -2.8980   25.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4130   -4.4920   24.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2460   -4.8840   22.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710   -6.1070   21.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140   -5.6970   23.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5290   -4.4330   20.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960   -3.6450   20.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930   -0.6430   25.8540 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6330   -5.5000   25.7980 S   0  0  1  0  0  0  0  0  0  0  0  0
    8.2260   -3.3960   18.6150 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0
  4  7  1  0
  7  9  2  0
  9 10  1  0
  2 11  1  0
 10 11  2  0
  1 12  1  0
  5 13  1  0
 12 13  1  0
  5 14  1  0
  1 15  1  0
 14 15  1  0
  5 16  1  0
  8 16  2  0
 16 17  1  0
  2 18  1  0
  1 19  1  0
  3 19  2  0
  6 19  2  0
 19 10  1  6
 17 20  1  0
M  END