matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0161.mol

Summary

Maintainability
Test Coverage
mac-x0161
     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -4.3030   15.4700    1.2120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   15.2900    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0410   15.1130    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2720   15.0290    1.4800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880   14.7480    1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380   14.7620   -0.3190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2480   15.0170   -0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   15.1300   -1.9340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   15.0460   -3.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520   13.6000   -3.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730   12.8340   -4.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6670   11.5520   -4.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560   10.3940   -5.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620   10.4520   -5.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170   11.6100   -3.2470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0290   12.7840   -2.7610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   15.3030   -2.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8630   15.4510   -1.0740 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  3  7  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 10 16  1  0
 15 16  1  0
  8 17  1  0
  2 18  1  0
 17 18  2  0
M  END