matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10371.mol

Summary

Maintainability
Test Coverage
x10371
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.4870    0.6930   17.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    0.1220   21.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9330    1.3020   20.9190 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3530   -0.5110   20.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5970   -0.7160   21.7570 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9890    2.4010   23.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    0.1770   19.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8380    4.1520   21.6740 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6600    6.3510   21.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5120    0.9830   20.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    1.6410   18.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4160    1.4640   17.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590    0.0650   18.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9150   -0.4170   22.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9110   -1.3750   22.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2190   -1.0640   22.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5430    0.1920   22.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5480    1.1520   22.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2730    3.5570   22.8880 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7940    4.7820   23.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1970    5.3000   22.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2310    0.8500   22.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  4  7  1  0
  7 10  1  0
 10 11  2  0
  1 12  2  0
 11 12  1  0
  1 13  1  0
  7 13  2  0
  5 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  6 18  1  0
 17 18  1  0
 19  6  1  1
  8 19  1  0
 19 20  1  0
  8 21  1  0
  9 21  2  0
 20 21  1  0
 14 22  1  0
 18 22  2  0
M  END