matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3303.mol

Summary

Maintainability
Test Coverage
x3303
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.5290   -1.5600   21.4430 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2740   -1.5250   20.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4760   -2.4360   21.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150   -0.6250   21.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7340   -1.2720   23.1980 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.9200   16.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3430   -0.1420   22.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430    1.6320   18.3350 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6370   -2.1820   23.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9490   -2.6860   22.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0630   -1.5790   23.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0810   -1.2750   22.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3950   -1.6070   22.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7130   -2.2290   24.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7170   -2.5300   24.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3950   -2.2090   24.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440   -0.3730   20.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820   -0.2600   18.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0090    0.7630   17.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4440    1.5860   19.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8200    0.5810   20.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1830    0.5190   21.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    1.4350   22.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    2.4240   21.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570    2.5090   19.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  1  4  1  0
  4  7  1  0
  5  7  1  0
  5  9  1  0
  1 10  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 11 16  1  0
 15 16  2  0
  2 17  1  0
 17 18  2  0
  6 19  2  0
  8 19  1  0
 18 19  1  0
  8 20  1  0
 17 21  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 20 25  1  0
 24 25  2  0
M  END