matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1392.mol

Summary

Maintainability
Test Coverage
x1392
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.0770   -4.2190   19.9930 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090   -3.2410   20.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3130   -2.6150   18.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1780   -2.6920   21.2520 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4880   -3.0650   22.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700   -3.6020   23.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090   -4.4330   24.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8840   -4.9440   25.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2280   -4.6360   25.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6990   -3.8130   24.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280   -3.2760   23.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3740   -2.3850   22.3090 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3420   -1.3270   22.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -1.2350   22.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5090   -0.2700   22.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1220    0.6240   23.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8540    0.5520   24.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9690   -0.4170   23.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640   -1.7370   21.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8960   -3.3930   18.3960 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  6 11  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  1
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 13 18  1  0
 17 18  2  0
  4 19  1  0
 12 19  1  0
  3 20  1  0
M  END