matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11186.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 24  0  0  0  0  0  0  0  0999 V2000
    8.6790    1.2810   21.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2770    0.1370   21.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7130   -0.7110   22.5140 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2250   -0.0540   23.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3710    0.6690   24.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2150   -0.6500   22.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5150    0.2720   23.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8170    0.6380   23.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8450    0.0320   23.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2480   -1.2750   22.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5480   -0.9350   22.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8420   -1.8170   21.5810 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3960   -0.4700   20.4800 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8790    0.0620   19.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6440    0.6620   19.2950 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5170    1.0800   17.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5720    0.7730   17.2980 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4510    0.1170   18.1430 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    0.8640   20.4170 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0510    1.8610   21.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530    2.1520   20.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  5  4  1  0
  6  3  1  0
  7  6  2  0
  7  5  1  0
  8  7  1  0
  9  8  2  0
 10  6  1  0
 11 10  2  0
 11  9  1  0
 12 11  1  0
 13  2  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  0
 17 16  2  0
 18 17  1  0
 18 14  2  0
 19 15  1  6
 20 19  1  0
 21 20  1  0
 21 19  1  0
M  END