matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0434.mol

Summary

Maintainability
Test Coverage
x0434
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.1540    0.6740   20.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -0.2440   21.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2390   -0.9740   22.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5250   -0.4980   22.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5630    0.3330   23.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7690    0.8430   24.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9280    0.5280   23.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8820   -0.3030   22.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6690   -0.8130   22.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2910   -0.6660   20.9230 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6110    0.0230   19.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4070    0.6480   20.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    1.3080   19.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710    1.2760   17.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5200    0.6800   17.6310 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1530    0.0510   18.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  4  9  1  0
  8  9  2  0
  2 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 11 16  1  0
 15 16  2  0
M  END