matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0587.mol

Summary

Maintainability
Test Coverage
mac-x0587
     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.1870   16.0250   -4.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510   14.8060   -3.7540 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4320   13.3610   -4.8990 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670   11.7750   -4.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520   11.6520   -3.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870   10.4640   -3.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130   12.5130   -2.2890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240   15.0380   -3.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9830   15.1450   -4.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5840   15.0110   -2.1540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380   15.1500   -1.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9130   15.1070   -0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5460   14.9790    0.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7440   14.9260   -1.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920   14.8580   -1.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 10 14  1  0
 13 14  1  0
 14 15  2  0
M  END