matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2608.mol

Summary

Maintainability
Test Coverage
x2608
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.9990   -0.8670   22.0730 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3740    1.8990   23.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7370    0.9250   20.6860 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2890    0.8730   23.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1230   -0.6790   20.7130 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -0.3980   23.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8580    0.7490   17.5710 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1240   -1.1280   23.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2140   -0.3980   22.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3070   -0.1410   21.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2450   -0.0540   19.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1110    0.6150   20.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750    1.3680   19.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    1.4090   18.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690    0.0360   18.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7960    1.2030   22.2710 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  6  8  1  0
  1  9  1  0
  8  9  2  0
  1 10  1  0
  3 10  2  0
  5 10  1  0
  5 11  1  0
 11 12  1  0
 12 13  2  0
  7 14  2  0
 13 14  1  0
  7 15  1  0
 11 15  2  0
  4 16  1  0
  9 16  1  0
M  END