matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6xb1.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.3410   -5.0300   16.9440 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7520   -5.3350   16.8540 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9750   -6.6850   16.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2540   -7.6490   16.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4390   -5.2880   18.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3770   -3.6690   18.9300 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670   -3.5910   19.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3490   -4.7790   20.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  3  2  1  0
  4  3  1  0
  5  2  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
M  END