matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10899.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.9120    0.8160   24.9010 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5890    0.8420   25.4470 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.2550   26.8020 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190    1.8350   24.5200 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910    1.9940   24.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620    3.0950   23.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860    3.2360   24.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2520    2.4750   23.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1020    2.5740   23.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5380    3.4410   24.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6220    4.2130   25.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320    4.1100   25.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060   -0.7850   25.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2050   -1.3010   26.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5960   -2.5460   26.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -3.2950   25.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100   -2.7810   24.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0240   -1.5230   24.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7040   -1.1330   22.9280 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -3.5090   22.4620 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6120   -2.0700   22.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050   -1.8730   20.7930 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840   -2.7590   19.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -3.8260   19.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9980   -2.3290   18.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3590   -3.4390   18.8060 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  2  1  0
  5  4  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
 11 10  1  0
 12 11  1  0
 12  7  1  0
 13  2  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 17  1  0
 18 13  1  0
 19 18  1  0
 20 17  1  0
 21 20  1  0
 21 19  1  0
 22 21  1  0
 23 22  1  0
 24 23  1  0
 25 23  1  0
 25 26  1  0
M  END