matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11164.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.2990    1.3720   21.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0280    0.3070   21.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470   -0.6580   20.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1130    0.0140   20.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890    0.0280   18.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690    0.5400   17.7190 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4140    1.0690   18.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0480    1.1160   19.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9150    0.5830   20.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6110   -0.0740   22.7920 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8190    0.6240   23.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9710   -0.3140   23.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8220   -0.9180   22.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -1.7670   23.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2530   -0.7620   24.6630 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2610   -1.6560   24.4760 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8030   -2.3730   25.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1160   -1.1330   23.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5080   -2.4550   23.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1420   -3.4500   24.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3810   -3.1610   25.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9650   -1.8430   25.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230   -0.8410   24.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0790   -4.2100   26.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0570   -5.1070   26.6460 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8560   -6.0110   27.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7090   -6.0670   28.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7100   -5.1520   28.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8840   -4.2120   27.1340 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  2  0
  6  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  2  0
  9  4  1  0
 10  2  1  0
 11 10  1  0
 12 11  1  0
 13 12  1  0
 14 13  2  0
 15 12  2  0
 16 15  1  0
 16 14  1  0
 17 16  1  0
 18 10  1  0
 19 18  2  0
 20 19  1  0
 21 20  2  0
 22 21  1  0
 23 22  2  0
 23 18  1  0
 24 21  1  0
 25 24  2  0
 26 25  1  0
 27 26  2  0
 28 27  1  0
 29 24  1  0
 29 28  2  0
M  END