matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3359.mol

Summary

Maintainability
Test Coverage
x3359
     RDKit          3D

 28 29  0  0  0  0  0  0  0  0999 V2000
    7.9390    1.7510   22.9480 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1790    1.9060   23.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0090    1.3490   20.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9460    2.6530   23.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4420   -1.3410   21.7790 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5270   -2.2630   21.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1020    1.1150   21.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260    0.2020   17.7080 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0310    0.0590   21.4680 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6530   -2.4100   21.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200   -3.7970   21.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1070   -4.5730   20.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660   -1.5020   22.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6480   -1.5540   23.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8310   -1.6840   24.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0590   -1.7590   23.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0640   -1.7250   22.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870   -1.6000   21.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3620   -1.8110   24.7730 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5650   -0.4800   25.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3130   -2.9360   25.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5910   -2.0530   23.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3850    0.3060   20.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9810   -0.1080   18.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4180    0.9470   17.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7400    1.4040   18.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2340    1.0730   19.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0860   -3.8290   19.0140 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  1  7  1  0
  3  7  2  0
  5  9  1  0
  9  7  1  6
  5 10  1  0
  6 10  2  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 13 18  1  0
 17 18  2  0
 16 19  1  0
 19 20  1  1
 19 21  1  0
 19 22  1  0
  9 23  1  0
  8 24  2  0
 23 24  1  0
  8 25  1  0
 25 26  2  0
 23 27  2  0
 26 27  1  0
 12 28  1  0
M  END