matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/diamond-x0104_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -6.6350   14.9300    2.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4650   14.9390   -2.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8580   14.8840   -2.3400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2290   14.8530   -1.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0910   14.9550    4.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9010   15.1680    2.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6060   14.7660   -0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3360   14.9030   -0.0690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0640   14.7060    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1680   14.7910    1.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9370   15.0280    3.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2910   14.9890    5.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3760   15.1250    6.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7580   15.0930    7.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6410   14.9480    6.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8110   14.8750    1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8730   14.8370    4.6140 S   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0
  1 11  1  0
 10  9  2  0
 10 16  1  0
 11  5  1  0
 11  6  2  0
  2  3  1  0
  3  4  1  0
  4  7  2  0
  4  8  1  0
  7  9  1  0
  8 16  2  0
  5 12  1  0
 12 13  2  0
 12 17  1  0
 13 14  1  0
 17 15  1  0
 14 15  2  0
M  END