matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0978.mol

Summary

Maintainability
Test Coverage
x0978
     RDKit          3D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.0000   -5.5520   23.0270 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540   -7.9300   24.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340   -7.7930   24.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400   -7.0280   24.5040 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3630   -5.9120   22.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050   -6.9980   21.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -6.3780   23.1070 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4970   -4.3910   23.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730   -5.9430   22.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980   -5.0110   22.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280   -5.4830   22.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5270   -5.1030   21.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6690   -4.6030   20.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6320   -4.8450   19.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0150   -3.8440   19.0520 R   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  6
  3  4  1  0
  7  1  1  1
  4  7  1  0
  1  9  1  0
  6  9  2  0
  9 10  1  0
  5 11  1  0
  7 11  1  0
  8 11  2  0
  5 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
M  END