matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/diamond-x0587_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -7.7990   15.1070    4.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2660   15.0130    2.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4700   15.1320    2.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2760   14.8000    1.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9920   14.8130    0.9810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9050   14.8680    1.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8000   14.5730   -0.6010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5140   14.6730   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6640   14.6360    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5650   14.6380   -1.4180 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3430   15.0100   -1.0960 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480   13.4300   -1.9250 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9600   15.4440   -2.3930 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  6  2  0
  4  9  1  0
  6  5  1  0
  9  7  2  0
  5  8  2  0
  8  7  1  0
  8 10  1  0
 10 11  1  1
 10 12  1  0
 10 13  1  0
M  END