matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0404.mol

Summary

Maintainability
Test Coverage
mac-x0404
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.9710   12.7350   -1.9380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9840   12.1470   -2.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020   10.9460   -2.9950 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410   12.7210   -4.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2850   14.1120   -4.3630 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0360   14.5400   -4.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560   13.6710   -4.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3210   14.1840   -5.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090   15.5320   -5.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3380   16.3720   -5.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460   17.7050   -5.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4110   18.5790   -5.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490   18.0840   -5.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   16.7150   -4.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1280   15.9280   -4.9240 C   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
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  6 15  1  0
 10 15  2  0
 14 15  1  0
M  END