matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/diamond-x0662_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.4180    9.9190  -14.1530 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4940    9.4110  -14.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4530    8.2900  -10.9400 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8130   11.1590  -14.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360    9.1380  -13.1510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7100   11.4000   -5.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050   11.2020  -13.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290   10.4030  -10.6260 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880   12.4070   -5.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0090    9.9160  -12.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3260    9.4530  -11.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   10.1900   -9.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1770    9.1890   -9.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860    8.9280   -8.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8490    9.6650   -7.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   10.6840   -7.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   10.9360   -8.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   11.5610   -6.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  1  5  1  0
  4  7  2  0
  5 10  2  0
  3 11  2  0
 11  8  1  0
 11 10  1  0
  7 10  1  0
  6 18  2  0
 18  9  1  0
 18 16  1  0
  8 12  1  0
 12 13  2  0
 12 17  1  0
 13 14  1  0
 17 16  2  0
 14 15  2  0
 15 16  1  0
M  CHG  1   9  -1
M  END