matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0228_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -6.1400   25.7250  -13.6820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5820   26.9100  -15.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8130   26.4140  -14.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7910   25.7500  -13.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1200   25.7770  -14.7310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8540   24.3510  -12.9910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   25.4660  -12.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4300   25.4360  -15.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   24.7760  -11.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2050   24.4690  -15.8270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0070   24.3550  -10.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6080   25.5400  -15.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170   23.5840   -9.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1410   24.6490  -11.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0460   25.3480  -12.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4100   25.2150  -13.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9010   24.4340  -15.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5270   26.0930  -14.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0
  1 16  1  0
 15  4  2  0
 15 14  1  0
 16  5  1  0
 16  6  2  0
  2  3  1  0
  3  4  1  0
  4  7  1  0
  7  9  2  0
  5  8  1  0
  8 17  1  0
  8 18  1  0
  9 11  1  0
 17 10  2  0
 18 12  2  0
 11 13  1  0
 11 14  2  0
 10 12  1  0
M  END