matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10942.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.3990    0.5040   17.6290 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5510    0.8090   20.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3650    0.6160   24.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.0830   21.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2180   -0.1450   24.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    1.4000   19.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6170    0.0830   21.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7030    0.0710   19.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0450   -0.0920   18.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0080    0.3250   23.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250   -0.9130   22.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8510    1.1510   24.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2260    0.0050   23.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3820   -1.2230   22.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980    0.8740   21.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6140   -0.4150   20.9070 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6970    1.8000   22.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2290    0.9600   24.9000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9880   -0.7300   22.8740 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3290    1.2410   17.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900   -0.5760   23.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8160   -1.7150   21.1260 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0
  7  4  2  0
  8  2  2  0
  9  8  1  0
  9  1  2  0
 10  3  2  0
 12  5  1  0
 13 11  2  0
 13  3  1  0
 14 11  1  0
 15  2  1  0
 16  8  1  0
 16  7  1  0
 17 15  1  0
 18 12  1  0
 18 10  1  0
 19  7  1  6
 19  5  1  0
 20  6  2  0
 20  1  1  0
 21 19  1  0
 21 14  2  0
 21 10  1  0
 22 11  1  0
M  END