matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7bqy.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.1530    5.3720  -16.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    5.1200  -17.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5870    3.8550  -18.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430    6.1930  -18.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840    7.1300  -17.2420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7060    6.6230  -16.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    7.3140  -14.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660    8.3660  -14.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  2  1  0
  5  4  1  0
  6  1  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
M  CHG  1   8  -1
M  END