matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2581.mol

Summary

Maintainability
Test Coverage
x2581
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.5600    1.6620   21.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7980   -2.5280   23.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2530   -1.1760   23.9380 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0110   -0.3260   22.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7690    3.2190   22.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3430    3.4670   24.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -0.6220   21.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1180    0.4090   20.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500    1.9190   22.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3420    3.8750   23.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0050    5.1840   22.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2240    6.3810   23.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1320    6.8430   22.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4360    7.9490   22.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8030    8.6640   24.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1240    9.8300   24.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5180   10.4850   25.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5870   10.0220   26.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2680    8.8990   26.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9010    8.1940   24.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5930    7.0430   24.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900    0.9560   23.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  7  2  0
  1  8  2  0
  7  8  1  0
  1  9  1  0
  5  9  1  0
  5 10  1  0
  6 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 15 20  1  0
 19 20  1  0
 12 21  1  0
 20 21  2  0
  4 22  1  0
  9 22  2  0
M  END