matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10324.mol

Summary

Maintainability
Test Coverage
x10324
     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.5340   -0.6510   20.5720 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6850   -0.9890   22.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8120    0.9130   24.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9210   -1.7800   21.4430 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.0530   -0.0720   23.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910   -0.1220   18.2100 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1470    0.8930   20.9810 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0670    0.5510   24.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060    0.6120   17.3330 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7270    0.2610   23.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9390    0.6330   19.3090 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4270    0.9260   24.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9640   -0.4240   23.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8880   -0.9120   22.5780 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5590   -0.1390   21.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0920   -0.0930   19.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8740    1.0360   18.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0310    0.9730   20.4150 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5050    1.9810   21.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4200    2.3280   20.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3540   -0.6570   22.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3600   -1.2920   22.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  2  5  2  0
  5  8  1  0
  6  9  1  0
  3 10  1  0
  8 10  2  0
  3 12  1  0
 12 13  1  0
 13 14  1  0
  1 15  1  0
  7 15  2  0
 14 15  1  6
  1 16  1  0
  6 16  2  0
 11 16  1  0
  9 17  2  0
 11 17  1  0
 18 11  1  1
 18 19  1  0
 18 20  1  0
 19 20  1  0
 10 21  1  0
 14 21  1  0
  2 22  1  0
 21 22  2  0
M  END