matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1334.mol

Summary

Maintainability
Test Coverage
x1334
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.8670   -2.7290   20.9200 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360   -2.5360   18.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7910   -4.1670   19.5620 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7580   -6.0530   28.4120 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5330   -3.1970   19.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690   -2.6360   23.2960 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4300   -3.3760   22.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6400   -3.7960   22.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6330   -3.0430   24.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3350   -4.1330   25.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7900   -5.4460   25.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4740   -6.1750   26.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790   -5.4750   27.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8930   -1.9680   22.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7100   -1.5650   21.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3170   -3.8740   26.4600 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7930   -3.2170   18.2140 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
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
  4 13  1  0
 12 13  2  0
  6 14  1  0
  1 15  1  0
 14 15  1  0
 10 16  1  0
 13 16  1  0
  2 17  1  0
M  END