matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1385.mol

Summary

Maintainability
Test Coverage
x1385
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.8280   -2.6000   20.9940 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2440   -2.4680   18.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240   -3.9670   19.6000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5300   -3.0580   19.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4390   -2.6370   23.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6980   -1.4730   21.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8770   -1.9580   22.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6030   -3.1010   24.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770   -4.1810   25.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5890   -5.5370   25.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2680   -6.2720   26.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4780   -5.5040   27.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5480   -3.7470   23.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610   -3.2620   22.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5580   -6.0900   28.5930 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.4060   -3.8590   26.6030 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8300   -3.3070   18.2770 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
  1  6  1  0
  5  7  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  5 13  1  0
  1 14  1  0
 13 14  1  0
 12 15  1  0
  9 16  1  0
 12 16  1  0
  2 17  1  0
M  END