matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7c6u.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
    8.9260    3.9930   22.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4530    2.7170   23.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4910    1.7300   22.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1070    1.8360   21.3590 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4310    3.9530   22.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6770    2.9980   23.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2980    2.9690   23.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6630    3.8960   22.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    4.8530   21.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7800    4.8810   22.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0250    0.6190   23.0380 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0970   -0.6160   22.2770 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7130   -1.1350   21.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7760   -1.0660   22.6780 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8590   -1.6830   23.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2940   -1.3170   23.4390 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9240   -2.4080   24.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1330   -1.0570   22.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940   -1.6470   20.6550 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3460   -2.2130   20.1390 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5600   -3.6780   19.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -4.2980   19.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690   -1.4170   18.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4830    0.0100   19.3040 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2460    0.1720   20.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    1.6090   19.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.8160   18.5350 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1740    0.9280   18.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930    0.8760   17.0080 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  1  0
  5  1  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 10  5  1  0
 11  3  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 12 15  1  1
 16 15  1  0
 16 17  1  6
 18 16  1  0
 19 13  1  0
 20 19  1  0
 20 21  1  6
 22 21  1  0
 23 20  1  0
 24 23  1  6
 25 24  1  0
 26 25  1  0
 27 26  1  0
 28 27  1  0
 28 24  1  0
 29 28  1  0
M  END