matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11354.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.2620    0.7430   21.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7880   -0.3310   21.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3480   -0.7060   21.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930    0.0160   20.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1670   -0.1320   18.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6020    0.4170   17.6350 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4990    1.1470   17.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520    1.3720   19.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5520    0.8130   20.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980    1.1100   21.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720   -1.2620   22.1790 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8230   -1.2920   22.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1320   -1.9510   23.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360   -2.5500   24.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4870   -2.9350   26.0330 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7770   -3.6530   25.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8810   -2.7410   25.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4780   -2.0320   24.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4660   -1.4540   23.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1440   -0.8060   22.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8280   -0.7260   21.8550 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  9  1  0
 11  2  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 17  1  0
 18 13  2  0
 19 18  1  0
 20 19  2  0
 21 12  2  0
 21 20  1  0
M  END