matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0770.mol

Summary

Maintainability
Test Coverage
x0770
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.6690   -2.6450   21.0180 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9910   -2.6220   18.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6820   -4.2230   19.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8940   -1.1570   21.4790 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3900   -3.2270   19.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3720   -2.2630   23.2760 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3280   -3.2510   22.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -3.4890   23.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6010   -2.5540   24.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7020   -1.5410   23.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7610   -0.3860   24.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7780    0.5330   24.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7540    0.3120   23.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6860   -0.8360   22.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6790   -1.7560   22.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6490   -1.6400   21.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3640   -1.3790   21.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6530   -3.2700   18.2840 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  3  5  2  0
  1  7  1  0
  6  8  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  4 14  1  0
 13 14  1  0
 10 15  1  0
 14 15  2  0
  6 16  1  0
  1 17  1  0
 16 17  1  0
  2 18  1  0
M  END