matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0771.mol

Summary

Maintainability
Test Coverage
x0771
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.7270   -5.3910   24.2790 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -1.4270   26.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5110   -6.8640   25.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940   -2.4560   26.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480   -4.8050   21.6900 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300   -5.1190   26.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020   -2.1400   26.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8490   -4.1710   19.6650 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.0850   26.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7020   -4.3860   25.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -4.7460   25.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9150   -6.1100   25.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090   -3.7520   25.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5440   -4.1920   24.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4450   -4.4580   22.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7790   -5.9590   21.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8860   -5.7170   23.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7340   -4.1460   20.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0260   -3.4210   20.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0410   -5.5390   25.7600 S   0  0  1  0  0  0  0  0  0  0  0  0
    8.4070   -3.3620   18.4690 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  7  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
  4 13  1  0
 11 13  2  0
  1 14  1  0
  5 15  1  0
 14 15  1  0
  5 16  1  0
  1 17  1  0
 16 17  1  0
  5 18  1  0
  8 18  2  0
 18 19  1  0
  1 20  1  0
  3 20  2  0
  6 20  2  0
 20 10  1  6
 19 21  1  0
M  END