matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0631_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.4850    9.7640   -7.6540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3400    9.1900   -7.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    8.7000  -10.9410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450    8.1850   -7.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310   11.0530   -7.3950 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0600    9.6630  -13.2910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080    8.8270   -6.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2350   11.5690   -8.4410 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960   10.5460   -9.3100 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8970   10.7110  -10.5840 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    9.8250  -11.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490    9.3920   -8.8410 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0460   10.3220  -12.6580 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7360   11.4420  -13.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6040   11.4920  -14.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   10.4210  -14.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  1  7  1  0
  1 12  1  0
  5  8  1  0
  7  4  1  0
 12  9  1  0
  2  4  1  0
  3 11  1  0
 11 10  1  0
 13 11  1  1
  8  9  1  0
  6 13  1  0
  6 16  1  0
 13 14  1  0
 16 15  1  0
  9 10  1  6
 14 15  1  0
M  END