matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10959.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.8320    0.7700   21.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3040   -0.3070   21.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7970   -1.1710   22.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2370   -0.8740   22.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5700    0.0940   23.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8910    0.4830   23.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8990   -0.0960   23.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2520   -1.4840   22.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5560   -1.0780   22.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8010   -1.8260   21.2690 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1980   -0.7710   20.6870 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4650   -0.1290   19.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3490    0.6880   20.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8640    0.8390   21.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7610    1.6070   21.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1040    2.2770   20.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5510    2.1870   19.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6820    1.3900   18.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1920    1.2550   17.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2400    0.5020   17.3540 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8450   -0.1720   18.3360 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  4  1  0
  9  8  2  0
  9  7  1  0
 10  9  1  0
 11  2  1  0
 12 11  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 15  2  0
 17 16  1  0
 18 17  2  0
 18 13  1  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 21 12  2  0
M  END