matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11432.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.0080    1.1740   21.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7960    0.0560   21.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -0.9140   20.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1600   -0.2550   19.8490 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    0.4460   19.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750    0.8890   20.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1030    1.7070   20.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8490    2.0520   19.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    1.5930   18.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500    0.7870   18.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7700    0.2860   17.7910 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6100   -0.3300   18.5710 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3400   -0.3570   22.8200 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8860   -1.5130   23.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5040    0.3340   23.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7180   -0.5620   23.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1870   -1.0940   24.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2210   -2.0120   24.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7440   -2.7230   26.0730 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8290   -2.3990   23.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3770   -1.8530   22.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3290   -0.9440   22.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  1  0
  6  5  2  0
  7  6  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  5  1  0
 11 10  1  0
 12 11  2  0
 12  4  1  0
 13  2  1  0
 14 13  1  0
 15 13  1  0
 16 15  1  0
 17 16  2  0
 18 17  1  0
 19 18  1  0
 20 18  2  0
 21 20  1  0
 22 21  2  0
 22 16  1  0
M  END