matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0425.mol

Summary

Maintainability
Test Coverage
x0425
     RDKit          3D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.2380  -24.9450    0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100  -23.5810    0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9640  -22.7920    0.2290 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1170  -23.3300   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1860  -22.4570   -0.7270 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4060  -22.8680   -1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2630  -21.5620   -1.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1680  -20.4630   -1.5930 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7020  -19.0520   -1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3960  -18.7650   -2.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450  -19.5830   -3.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7530  -20.3930   -3.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420  -20.8070   -0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490  -24.7070   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030  -25.4800    0.4990 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
  8 12  1  0
 11 12  1  0
  5 13  1  0
  8 13  1  0
  4 14  1  0
  1 15  1  0
 14 15  2  0
M  END