matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10296.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.4210   -2.4970   18.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8270   -1.1010   18.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7130   -0.0910   18.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6880    0.1670   19.4550 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -0.4270   20.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500    0.6570   21.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9610    1.7950   21.5680 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.6760   22.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2410    3.4880   22.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    3.0900   23.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3340    3.8610   23.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3940    4.7090   22.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5240    5.4780   22.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4670    5.0840   23.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5600    5.8750   23.4070 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    2.2740   20.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620    1.1360   19.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6640    0.4990   17.4590 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750   -3.5190   18.6220 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  1  0
  5  4  1  0
  6  5  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  9  2  0
 11 10  1  0
 12  9  1  0
 13 12  2  0
 14 11  2  0
 14 13  1  0
 15 14  1  0
 16  7  1  0
 17 16  1  0
 17  4  1  0
 18  3  2  0
  1 19  1  0
M  END