matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0736.mol

Summary

Maintainability
Test Coverage
x0736
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.9330   -2.9520   21.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4080   -2.5670   18.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8580   -4.1560   19.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6820   -3.2880   19.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8850   -2.8140   23.7810 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1310   -2.1880   25.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2760   -3.6830   22.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4210   -0.0190   25.2990 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2490   -4.0360   23.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6510   -2.1660   22.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7480   -1.8140   21.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3330   -2.1160   24.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -1.3160   25.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8050   -1.6000   26.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4930   -0.4290   27.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2310    0.5150   26.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9870   -3.3600   18.2730 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  1  7  1  0
  5  9  1  0
  7  9  1  0
  5 10  1  0
  1 11  1  0
 10 11  1  0
  5 12  1  0
  6 12  2  0
  8 13  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  8 16  1  0
 15 16  2  0
  2 17  1  0
M  END