matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3113.mol

Summary

Maintainability
Test Coverage
x3113
     RDKit          3D

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.5860   -1.4020   21.7810 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1590   -4.4230   20.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5890   -2.1890   21.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1600   -3.8450   21.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2390    1.7380   22.9170 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2300    1.2090   20.9800 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240   -2.4140   21.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6830    0.3180   17.7480 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8400    4.1080   22.8720 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2130    0.0140   21.4940 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3270    1.0340   21.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2380    2.7300   23.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6050    2.1080   23.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000    3.1040   23.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1310    4.7070   22.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    0.2840   20.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1380   -0.0610   18.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5650    1.0480   17.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8730    1.4240   18.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3740    1.0320   20.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8290   -1.6490   22.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0250   -1.7000   21.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2280   -1.8490   22.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2720   -1.9590   23.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0680   -1.9410   24.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580   -1.7790   23.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6100   -1.9850   24.5600 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8040   -2.2030   23.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6310   -3.1050   25.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8130   -0.6380   25.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1070   -3.7410   18.9590 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  1  7  1  0
  3  7  2  0
  4  7  1  0
  1 10  1  0
  5 11  1  0
  6 11  2  0
 10 11  1  1
  5 12  1  0
 12 13  1  0
  9 14  1  0
 13 14  1  0
  9 15  1  0
 10 16  1  0
  8 17  2  0
 16 17  1  0
  8 18  1  0
 18 19  2  0
 16 20  2  0
 19 20  1  0
  1 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 21 26  1  0
 25 26  2  0
 24 27  1  0
 27 28  1  6
 27 29  1  0
 27 30  1  0
  2 31  1  0
M  END