matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11313.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.3470    1.1130   16.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7570    0.8350   17.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1700   -0.1840   18.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6960    1.5940   18.1820 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0810    1.4760   19.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    0.5040   20.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530    0.4540   21.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4640   -0.4380   22.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    1.3250   21.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450    2.2420   21.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320    2.3300   19.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6240   -0.4020   19.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0960   -1.6150   20.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4940   -2.6850   20.5560 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2060   -1.4780   21.3510 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6570   -2.5100   22.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1490   -2.4920   22.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5210   -1.1670   22.8310 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8450   -0.8100   22.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1030    0.5220   23.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9960    1.2540   23.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1950    2.5310   24.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8960   -1.6480   22.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1940   -1.1590   22.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4480    0.1470   22.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4090    0.9960   23.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  2  1  0
  5  4  1  0
  6  5  2  0
  7  6  1  0
  8  7  1  0
  9  7  2  0
 10  9  1  0
 11 10  2  0
 11  5  1  0
 12  6  1  0
 12  3  2  0
 13 12  1  0
 14 13  2  0
 15 13  1  0
 16 15  1  0
 17 16  1  0
 18 17  1  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 22 21  1  0
 23 19  1  0
 24 23  2  0
 25 24  1  0
 26 25  2  0
 26 20  1  0
M  END