matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0179.mol

Summary

Maintainability
Test Coverage
mac-x0179
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.3350   12.8100   -2.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9610   12.1280   -3.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860   10.8660   -3.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6380   12.8720   -4.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280   11.9180   -5.4150 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   11.4570   -6.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770   11.8130   -6.9350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890   10.3240   -7.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    9.5990   -8.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    8.6100   -8.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550    8.4140   -7.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2190    9.2580   -6.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320   10.1910   -6.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980   11.2430   -5.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6580   11.4390   -4.3320 O   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  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
  8 13  1  0
 12 13  2  0
  5 14  1  0
 13 14  1  0
 14 15  2  0
M  END