matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10900.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.4080   -0.5430   20.8980 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    0.8110   23.7810 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490   -0.8020   22.6750 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2060    0.1380   23.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0360    1.0320   21.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5030   -0.0150   21.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8590    1.3560   19.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3850    1.2180   17.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1620    0.0000   18.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0250    0.4820   23.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4730   -1.2120   22.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5380   -0.5080   22.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8090   -0.8870   22.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2450   -0.5470   23.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260    0.5690   17.4910 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0380    1.0120   21.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5200    0.7870   20.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7040    0.0680   19.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9800   -1.7870   21.2550 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  2  2  0
  6  1  1  0
  6  3  1  0
  8  7  2  0
 10  2  1  0
 12  3  1  0
 12 11  1  0
 12 10  2  0
 13 11  2  0
 13  4  1  0
  3 14  1  1
 15  8  1  0
 15  9  2  0
 16  6  2  0
 17  7  1  0
 17  5  1  0
 18 17  2  0
 18  9  1  0
 18  1  1  0
 19 13  1  0
M  END