matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x12080.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.1160   -5.0930   19.6930 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0140   -4.1840   19.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9230   -3.3880   21.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -2.6900   21.4700 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9600   -1.9990   22.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0670   -1.3770   23.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2580   -1.4300   22.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270   -1.9570   23.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7820   -3.4600   21.8570 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7770   -2.7710   22.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950   -2.9140   23.9130 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170   -3.8110   23.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4080   -3.6990   18.7530 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  2  0
  5  4  1  0
  6  5  1  0
  7  6  1  0
  8  5  2  0
  9  3  1  0
 10  9  2  0
 10  8  1  0
 11 10  1  0
 12 11  1  0
  2 13  1  0
M  END