matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2643.mol

Summary

Maintainability
Test Coverage
x2643
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.1340   -0.7060   20.6910 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0510    0.2130   23.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9590    0.6020   21.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7150    0.6250   23.7240 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.1080    0.5680   24.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4960    0.8430   17.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8520    0.0420   24.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8570   -0.6970   23.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6810   -1.3520   22.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2810   -0.3910   21.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4900    0.0280   19.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2390    0.6010   19.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    1.2940   18.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2910    1.3810   17.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0780    0.1860   18.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4460   -0.7610   22.4100 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  2  5  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  1 10  1  0
  3 10  2  0
  9 10  1  0
  1 11  1  0
 11 12  1  0
 12 13  2  0
  6 14  2  0
 13 14  1  0
  6 15  1  0
 11 15  2  0
  2 16  1  0
  8 16  1  0
M  END