matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0303.mol

Summary

Maintainability
Test Coverage
mac-x0303
     RDKit          3D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -8.3980   12.9210    2.5940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4560   14.5470    2.0740 S   0  0  2  0  0  0  0  0  0  0  0  0
   -8.2380   15.4390    3.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7110   14.6850    1.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1080   14.7840    0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1670   15.0230   -0.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9430   15.1390   -0.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4210   15.3260   -1.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0420   15.4500   -2.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2100   15.3050   -1.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6950   15.0810    0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1040   14.9980    0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8960   14.7870    1.3330 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  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
  5 13  1  0
 12 13  1  0
M  END