matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3077.mol

Summary

Maintainability
Test Coverage
x3077
     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.8960   -3.6870   21.3850 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6110   -2.9640   19.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0850   -5.1310   19.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6590   -1.5860   21.2210 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5210   -4.0210   20.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7200   -2.6170   23.1290 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5580   -4.5530   22.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7130   -3.6150   23.5590 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3870   -2.8520   23.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6510   -2.3990   22.0610 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9810   -1.6810   22.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4280   -1.9610   24.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6110   -1.1490   23.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8810    0.0960   24.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9780    0.8350   23.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8290    0.3340   22.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5570   -0.9050   22.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4610   -1.6470   22.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2760   -3.3350   18.5680 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  3  5  2  0
  1  7  1  0
  6  8  1  0
  8  7  1  6
  8  9  1  0
  1 10  1  0
  9 10  1  0
  6 11  1  0
 10 11  1  1
  6 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  4 17  1  0
 16 17  1  0
 13 18  1  0
 17 18  2  0
  2 19  1  0
M  END