matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0564.mol

Summary

Maintainability
Test Coverage
mac-x0564
     RDKit          3D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.8570   14.0910   -1.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   14.2530   -2.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   14.1340   -3.4600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4190   14.3560   -4.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7740   14.6780   -4.3330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380   14.7710   -2.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5640   15.0730   -2.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8330   15.3370   -3.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8800   15.6010   -2.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7420   15.5690   -0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4920   15.3150   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4130   15.0610   -1.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130   14.7230   -0.7280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130   14.5880   -1.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  7 12  1  0
 11 12  2  0
 12 13  1  0
  2 14  1  0
  6 14  2  0
 13 14  1  0
M  END