matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1458.mol

Summary

Maintainability
Test Coverage
x1458
     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.9800   -3.3020   26.5040 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580   -4.7000   27.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -3.1800   25.4580 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5130   -4.3710   27.3860 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9250   -4.4060   21.3450 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5780   -4.9840   19.6280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6260   -5.5990   27.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4960   -1.9560   26.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1590   -3.5330   25.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8110   -4.1040   24.2110 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8700   -5.0410   23.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320   -5.5390   22.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -3.4910   22.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2560   -2.9630   23.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4350   -4.2450   20.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9840   -3.1120   19.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5630   -3.5370   18.4810 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  4  2  1  6
  4  7  1  0
  1  8  1  0
  1  9  1  0
  3  9  2  0
 10  9  1  1
 10 11  1  0
  5 12  1  0
 11 12  1  0
  5 13  1  0
 10 14  1  0
 13 14  1  0
  5 15  1  0
  6 15  2  0
 15 16  1  0
 16 17  1  0
M  END