matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0496.mol

Summary

Maintainability
Test Coverage
mac-x0496
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -9.8080   17.9820    4.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9460   16.9550    3.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8710   16.9180    2.4930 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6070   15.8090    1.7390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5110   15.2340    2.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8260   13.9810    1.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3870   14.1900    1.6470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8130   14.6270    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5040   14.8240   -0.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2980   14.8180    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5260   14.8930    1.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   15.0560    1.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5590   15.1360    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3490   15.0660   -1.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7430   15.1330   -2.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190   14.9670   -2.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980   15.3310   -3.4670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7050   14.8930   -0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1220   15.9340    3.2930 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 10 18  1  0
 14 18  2  0
  2 19  1  0
  5 19  2  0
M  END