matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2193.mol

Summary

Maintainability
Test Coverage
x2193
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.1470   -3.7260   24.7660 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8270    2.6380   23.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2380    1.7010   21.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6790    0.1290   23.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9100   -6.3500   25.8120 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    2.3370   22.7530 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8190   -0.9610   22.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6670   -2.2380   22.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3780   -2.4390   24.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2790   -1.3290   25.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4350   -0.0510   24.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9380   -4.8290   24.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1740   -6.1190   24.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -5.2450   26.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8310   -3.9210   26.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6990    1.7660   22.5810 S   0  0  1  0  0  0  0  0  0  0  0  0
  4  7  2  0
  7  8  1  0
  1  9  1  0
  8  9  2  0
  9 10  1  0
  4 11  1  0
 10 11  2  0
  1 12  1  0
  5 13  1  0
 12 13  1  0
  5 14  1  0
  1 15  1  0
 14 15  1  0
 16  2  1  1
  3 16  2  0
  4 16  1  0
  6 16  2  0
M  END