matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10871.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.5130   -1.7140   22.7350 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5080   -4.2010   26.2080 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4480   -0.2190   18.4950 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0890   -0.0820   19.7970 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1140   -5.6360   28.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5480   -0.1130   24.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6820    2.1100   19.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0050    1.4850   20.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0270   -1.8480   25.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8420   -4.3290   27.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6380    0.9760   18.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9530   -1.0230   23.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3790   -2.3110   23.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1520   -3.3510   24.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1950   -0.7370   22.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7620    0.0590   23.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1450    1.0410   20.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.7230   18.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5020    0.8770   23.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5420   -1.0510   24.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7730   20.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030    0.4120   21.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8890   -6.2170   28.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3680    0.0840   22.7040 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820   -3.4830   27.8460 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2400   -0.8060   24.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120   -3.1220   25.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9120   -0.6450   20.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9460    0.6500   19.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890    0.4160   17.7520 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0
 10  5  1  0
 10  2  1  0
 13 12  2  0
 14 13  1  0
 15  1  1  0
 16 15  2  0
 16  6  1  0
 18  7  1  0
 18 11  2  0
 19 16  1  0
 20  6  2  0
 20  1  1  0
 21 17  1  0
 21  7  2  0
 22  8  2  0
 23  5  1  0
 24 22  1  0
 24 19  1  0
 24 12  1  0
 25 10  2  0
 26 12  1  0
 26  9  2  0
 27 14  2  0
 27  9  1  0
 27  2  1  0
 28 22  1  0
 28  4  1  0
 29 17  2  0
 29 11  1  0
 29  4  1  0
 30 11  1  0
 30  3  2  0
M  END