matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2659.mol

Summary

Maintainability
Test Coverage
x2659
     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
   22.7610  -25.1060   15.2060 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6670  -19.8880   16.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5360  -19.9620   13.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2850  -27.8040   19.7240 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   20.4140  -20.7080   15.5030 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.3850  -19.3380   15.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4970  -19.9480   14.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0490  -21.9460   16.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2060  -22.0710   17.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8670  -23.1490   18.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3750  -24.1400   17.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1730  -24.0290   15.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5210  -22.9460   15.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3660  -25.9000   16.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1310  -27.0430   15.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7130  -27.6290   17.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5150  -27.0730   18.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7400  -25.9440   18.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1550  -25.3370   17.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  1
  3  7  2  0
  5  7  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  1 12  1  0
 11 12  2  0
  8 13  2  0
 12 13  1  0
  1 14  1  0
 14 15  2  0
 15 16  1  0
  4 17  1  0
 16 17  2  0
 17 18  1  0
 11 19  1  0
 14 19  1  0
 18 19  2  0
M  END