matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6wtj.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
    8.4290    3.9360   22.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2190    3.0200   23.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6630    1.8960   22.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6300    1.8950   21.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9260    3.7010   22.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    4.4910   22.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    4.3080   22.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1980    3.3160   23.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310    2.5170   23.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4950    2.7070   23.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1690    0.7190   23.2000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3080   -0.5180   22.4580 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9040   -0.9670   22.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9950   -0.8650   22.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320   -1.6000   23.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3960   -1.2380   23.5590 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1510   -1.2050   22.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0400   -2.2540   24.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7200   -1.5110   20.6930 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070   -1.9630   20.2300 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6110   -3.4440   19.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3830   -4.0880   19.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9640   -1.1440   19.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370    0.3130   19.4100 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2830    0.2630   20.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6190    1.5680   20.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9660    1.9760   18.6970 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1710    1.1600   18.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160    1.2390   17.2460 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