matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2929.mol

Summary

Maintainability
Test Coverage
x2929
     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
   22.7730    5.2700   23.7280 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7730    4.7110   24.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9100    4.9460   25.7760 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8830    3.7200   25.2040 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.8530    1.3780   25.8640 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4780    2.3070   24.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0930   -1.7820   25.5350 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3500    0.0950   25.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1850   -0.7590   24.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9100   -0.9900   23.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7250   -1.5970   23.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8480   -1.9660   24.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2470   -1.1910   25.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8040    2.1250   26.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1660    3.5110   26.7170 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.0170    4.5650   27.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9980    4.7040   28.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7080    5.7190   29.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4590    6.5940   28.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5090    6.4520   27.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7960    5.4400   26.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  4  2  1  1
  4  6  1  0
  5  6  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  7 12  2  0
 11 12  1  0
  7 13  1  0
  9 13  2  0
  5 14  1  0
  4 15  1  0
 14 15  1  0
 15 16  1  6
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 16 21  1  0
 20 21  2  0
M  END