matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11372.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
   13.8980   -1.6030   21.0620 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8400   -0.6570   22.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3860    0.2720   22.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5410    0.9660   23.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750    0.7360   23.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4790   -0.8850   22.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6290   -0.1760   22.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1220   -0.3960   22.7890 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7510   -1.7860   23.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5920    0.1550   21.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0460    1.1820   20.9640 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5390   -0.5130   20.9050 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -0.0460   19.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670    0.6260   20.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0980    0.7410   21.3780 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    1.1840   21.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7420    1.1520   23.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    1.5710   21.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    1.1870   18.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4430    1.0540   17.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5930    0.4140   17.4670 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2350   -0.1310   18.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  2  1  0
  7  6  2  0
  7  5  1  0
  8  7  1  0
  8  9  1  6
 10  8  1  0
 11 10  2  0
 12 10  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 16  2  0
 19 14  1  0
 20 19  2  0
 21 20  1  0
 22 21  2  0
 22 13  1  0
M  END