matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0522.mol

Summary

Maintainability
Test Coverage
mac-x0522
     RDKit          3D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.7980    9.3000  -10.9390 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060    8.8970  -11.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4760    7.7430  -10.8230 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880    7.0350   -9.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260    5.9470   -9.1070 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090    5.4480   -8.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    6.1270   -7.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4180    7.4190   -8.9210 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860    9.6210  -12.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180    9.0370  -13.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9530    9.6650  -14.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   10.8770  -14.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860   11.4640  -14.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8510   10.8280  -12.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  4  8  1  0
  7  8  1  0
  2  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
  9 14  1  0
 13 14  2  0
M  END