matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0981.mol

Summary

Maintainability
Test Coverage
x0981
     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.3040   -8.6590   21.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -7.2190   22.5110 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910   -6.4860   21.9460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470   -7.3690   21.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620   -8.2380   26.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8140   -8.4450   24.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0460   -6.0560   23.3430 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3280   -6.0750   22.3540 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -4.4840   23.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7430   -6.3250   24.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120   -7.7670   25.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4610   -5.4840   23.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5070   -5.3830   21.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5350   -5.2480   20.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7100   -6.0050   19.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6590   -4.1760   19.4220 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  2  7  1  0
  7 10  1  1
  5 11  1  0
  6 11  2  0
 10 11  1  0
  7 12  1  0
  8 12  1  0
  9 12  2  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
M  END