matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x12073.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.1340    1.5280   21.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8020    0.4400   21.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4540   -0.1220   23.0110 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9630   -0.0900   22.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6400   -0.9600   22.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090   -0.8540   21.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8160   -1.8580   20.7060 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.7380    0.0750   22.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0860    0.9290   23.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7120    0.8460   23.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470    1.7340   24.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7270    1.9230   24.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950    0.6030   24.3000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4850    0.8230   24.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8590   -0.3490   21.1970 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -0.0360   20.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7350    0.5610   20.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2110    0.6900   21.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0210    1.3250   21.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.8670   20.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7580    1.7600   19.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9770    1.0920   19.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5060    0.9530   18.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700    0.3740   17.7640 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840   -0.1010   18.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  1  0
  8  6  2  0
  9  8  1  0
 10  9  2  0
 10  4  1  0
 11 10  1  0
 12 11  1  0
 13 12  1  0
 13  3  1  0
 13 14  1  6
 15  2  1  0
 16 15  1  0
 17 16  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 22 21  2  0
 22 17  1  0
 23 22  1  0
 24 23  2  0
 25 24  1  0
 25 16  2  0
M  END