matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10327.mol

Summary

Maintainability
Test Coverage
x10327
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.5730   -0.4020   20.9960 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2040   -0.1590   24.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8650    1.4160   21.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0930   -1.9530   21.2430 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6630   -0.6010   24.1290 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7390    0.5690   17.5320 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4740    0.1430   25.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3060   -0.5610   22.6900 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5450    0.2630   21.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8580    0.1320   19.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3330    0.0080   18.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6170    1.2630   17.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0570    1.4310   19.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6770    0.8720   20.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1180    1.1000   21.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7900   -0.2220   22.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2790    1.0030   23.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6330    1.2970   23.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5170    0.3750   22.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0170   -0.8230   22.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6770   -1.1380   22.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  6
  5  7  1  0
  5  8  1  0
  1  9  1  0
  3  9  2  0
  8  9  1  6
  1 10  1  0
  6 11  2  0
 10 11  1  0
  6 12  1  0
 12 13  2  0
 10 14  2  0
 13 14  1  0
 14 15  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  4 20  1  0
 19 20  1  0
 16 21  1  0
 20 21  2  0
M  END