matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10322.mol

Summary

Maintainability
Test Coverage
x10322
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.4250   -0.7210   21.9320 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9870   -2.2350   23.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7900    1.1620   20.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9760   -1.1230   22.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8920    1.5030   18.9440 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8950    2.4360   23.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6790   -1.3980   22.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4880    0.6300   17.3940 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8700    6.1430   21.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7340   -0.3850   22.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6550    4.1270   21.6510 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5710    0.0090   21.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920   -0.7200   20.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150   -0.1050   19.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    0.7480   19.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4430    1.3910   17.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0030   -0.1150   18.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0890    0.9290   22.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3830    1.2030   23.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    3.6400   22.9650 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0870    4.7580   23.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3140    5.1940   22.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3230    0.1940   23.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  7  2  0
  1 10  1  0
  7 10  1  0
  1 12  1  0
  3 12  2  0
 12 13  1  0
 13 14  1  0
  5 15  2  0
 14 15  1  0
  5 16  1  0
  8 16  2  0
  8 17  1  0
 14 17  2  0
 10 18  2  0
  6 19  1  0
 18 19  1  0
 20  6  1  1
 11 20  1  0
 20 21  1  0
  9 22  2  0
 11 22  1  0
 21 22  1  0
  4 23  1  0
 19 23  2  0
M  END