matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10995.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
   14.3590   -0.2740   22.8130 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4650   -1.2520   22.8290 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9720   -2.2740   23.5200 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3670   -1.6490   21.5570 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1490   -0.7880   23.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0820    0.0920   24.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8320    0.4640   24.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6980   -0.0440   24.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0640   -1.2930   22.7860 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8560   -0.9190   23.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760   -1.4610   22.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2600   -0.4960   21.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9210    0.5050   21.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1030   -0.8130   20.7670 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4950   -0.0750   19.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    0.6920   19.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7980    0.8450   21.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430    2.2700   21.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -0.0880   18.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4400    0.5810   17.4200 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3340    1.2870   17.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7630    1.3730   18.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  3  2  1  0
  4  2  1  0
  5  2  1  0
  6  5  2  0
  7  6  1  0
  8  7  2  0
  9  5  1  0
 10  8  1  0
 10  9  2  0
 11 10  1  0
 12 11  1  0
 13 12  2  0
 14 12  1  0
 15 14  1  0
 16 15  2  0
 17 16  1  0
 18 17  1  0
 19 15  1  0
 20 19  2  0
 21 20  1  0
 22 21  2  0
 22 16  1  0
M  END