matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10645.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.0570    0.9160   21.2740 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5040   -0.4110   20.8580 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7970    1.1990   21.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1400    0.8810   23.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9630    1.3290   20.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1280   -0.4020   22.6540 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5470    0.7480   19.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7520    0.0540   19.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420   -0.0600   18.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.1570   17.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480    0.4360   23.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9530   -0.6350   22.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0050   -1.2130   21.5330 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3690    0.5470   23.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2090    0.3550   23.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6880   -1.1000   21.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    1.2550   23.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6350    0.4870   17.4000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470    1.3960   20.9500 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5360    0.2620   21.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9020    1.3080   18.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6450   -0.5140   22.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0
  7  1  1  0
  8  7  2  0
  8  2  1  0
  9  8  1  0
 11  4  2  0
 13 12  1  0
 14 11  1  0
 14  6  1  0
 15 12  2  0
 15  4  1  0
 16 12  1  0
 17  3  1  0
 18 10  1  0
 18  9  2  0
 19  3  2  0
 20  5  2  0
 20  2  1  0
  6 20  1  6
 21 10  2  0
 21  7  1  0
 22 11  1  0
 22  6  1  0
 22 16  2  0
M  END