matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2572.mol

Summary

Maintainability
Test Coverage
x2572
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.5200    0.5640   17.6050 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7710    1.0650   21.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0380    1.0160   21.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3770    0.8570   20.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2450   -0.3720   21.0990 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    1.3780   19.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2960   -1.9320   20.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3610    1.2060   17.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1150    0.0530   18.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890    0.1720   19.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4050    0.0800   21.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9100   -0.6960   22.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3940   -0.4630   22.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    0.3610   23.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2390    0.6260   24.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1280    0.0680   23.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6550   -0.7750   22.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5760   -1.4050   21.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2900   -1.0370   22.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  1  8  2  0
  6  8  1  0
  1  9  1  0
  4 10  1  0
  5 10  1  0
  9 10  2  0
  3 11  2  0
  5 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
  7 18  3  0
 17 18  1  0
 13 19  1  0
 17 19  2  0
M  END