matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0590.mol

Summary

Maintainability
Test Coverage
mac-x0590
     RDKit          3D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -4.5340   15.4640    1.3170 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7550   41.5580   -7.0290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6620   15.2850    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4510   42.0200   -7.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2880   15.0650    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0930   43.3630   -7.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4710   14.9670    1.3750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7620   44.4250   -6.9110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2370   14.7440    0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9600   45.4830   -7.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2680   14.7190   -0.4120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8120   45.0950   -7.6410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510   14.9090   -0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9060   43.7710   -7.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150   14.9780   -2.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0390   42.8670   -8.3740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520   14.8150   -3.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7310   43.2760   -8.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6030   13.5490   -3.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7290   43.5860   -7.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5370   13.2800   -5.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3340   43.8800   -8.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930   12.0040   -4.8480 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2460   44.3980   -7.3560 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7190   11.7600   -3.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4560   45.6870   -7.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890   12.3950   -3.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840   46.2900   -6.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   12.7620   -4.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1770   45.7300   -7.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620   12.1630   -5.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540   44.3630   -7.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250   15.1820   -2.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3850   41.5800   -8.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1800   15.3420   -1.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5840   41.1380   -8.0250 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  6  1  0
  5  7  1  0
  6  8  1  0
  7  9  2  0
  8 10  1  0
  9 11  1  0
 10 12  1  0
  5 13  1  0
 11 13  2  0
  6 14  1  0
 12 14  1  0
 13 15  1  0
 14 16  1  0
 15 17  1  0
 16 18  1  0
 17 19  1  0
 18 20  1  0
 19 21  1  0
 20 22  1  0
 23 21  1  1
 24 22  1  6
 23 25  1  0
 24 26  1  0
 25 27  1  0
 26 28  1  0
 27 29  1  0
 28 30  1  0
 23 31  1  0
 29 31  1  0
 24 32  1  0
 30 32  1  0
 15 33  1  0
 16 34  1  0
  3 35  1  0
 33 35  2  0
  4 36  1  0
 34 36  1  0
M  END