matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2910.mol

Summary

Maintainability
Test Coverage
x2910
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2790   -1.4370   21.3290 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4070    2.6210   23.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1920    1.2900   23.5070 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2850    0.5620   23.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130    1.6220   18.2410 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6710   -1.0730   22.6030 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5960    1.0210   23.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3650   -2.5290   20.8780 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6130    0.2160   22.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4370    1.0890   16.7600 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3350   -1.0490   22.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0370   -1.5350   22.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0020   -0.7290   22.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3010   -2.4200   22.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8040   -2.4710   22.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910   -1.5460   20.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6670   -0.3940   19.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2370   -0.2130   18.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8490    0.8300   17.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.4920   19.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070    2.3150   19.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850    2.1680   21.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    1.2320   21.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970    0.4000   21.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090    0.5000   20.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  7  2  0
  7  9  1  0
  9 11  2  0
 11 12  1  0
  4 13  1  0
  6 13  1  0
 12 13  2  0
  6 14  1  0
  1 15  1  0
 14 15  1  0
  1 16  1  0
  8 16  2  0
 16 17  1  0
 17 18  2  0
  5 19  1  0
 10 19  2  0
 18 19  1  0
  5 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 17 25  1  0
 20 25  1  0
 24 25  2  0
M  END