matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0194.mol

Summary

Maintainability
Test Coverage
x0194
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   24.7800  -14.6450   24.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9040  -14.9780   26.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7290  -14.1750   26.9510 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2410  -16.2580   26.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4310  -17.3080   25.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6850  -17.8910   25.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9620  -18.9260   24.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9960  -19.3760   23.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3820  -20.4580   22.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1970  -20.5890   21.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8440  -19.8180   20.4420 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.6900  -20.0210   19.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8590  -21.0430   18.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2170  -21.8440   19.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4280  -21.5920   20.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7220  -18.8190   23.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4340  -17.7740   24.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 10 15  1  0
 14 15  2  0
  8 16  1  0
  5 17  1  0
 16 17  2  0
M  END