matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2912.mol

Summary

Maintainability
Test Coverage
x2912
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.1690   -0.5440   21.0630 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0140   -0.8000   24.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9990    0.7800   21.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8350   -1.0070   22.7760 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4210    0.5060   17.6310 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -0.1680   21.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2270   -1.8610   20.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5510    0.1270   19.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0400   -0.0100   18.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    1.1850   17.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7530    1.4060   19.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3920    0.8860   20.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820    1.1850   21.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3160   -0.6860   22.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7600    0.1960   23.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1090    0.4970   24.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0270   -0.0520   23.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5950   -0.9360   22.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5220   -1.4430   21.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2450   -1.2650   22.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  1
  1  6  1  0
  3  6  2  0
  4  6  1  0
  1  8  1  0
  5  9  2  0
  8  9  1  0
  5 10  1  0
 10 11  2  0
  8 12  2  0
 11 12  1  0
 12 13  1  0
  4 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
  7 19  3  0
 18 19  1  0
 14 20  1  0
 18 20  2  0
M  END