matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0148.mol

Summary

Maintainability
Test Coverage
mac-x0148
     RDKit          3D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -2.4340   13.4180   -5.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   14.7860   -5.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6140   14.9960   -3.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4010   14.8460   -3.9350 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1900   13.7060   -5.1790 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3110   12.5270   -4.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210   12.1100   -3.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190   13.1680   -2.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   14.5550   -2.5820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590   14.7530   -1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0990   14.6850   -0.4060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190   14.7350    0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1340   14.9410    1.4480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   15.0080    0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4950   15.1390    1.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2910   15.2020    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   15.0610   -1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300   14.8840   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  3  1  1
  5  1  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  4  9  1  0
  8  9  1  0
  9 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  1  0
 16 17  2  0
 10 18  1  0
 14 18  2  0
 17 18  1  0
M  END