matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0464.mol

Summary

Maintainability
Test Coverage
x0464
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   22.3370   15.0020    8.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2230   14.9100    7.4100 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5140   13.5680    7.6580 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.1470   13.7530    7.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9970   12.4680    6.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3070   12.6320    6.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5310   13.9620    5.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7530   15.0900    6.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3980   16.1320    5.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5890   17.3910    5.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2210   17.6390    4.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5070   18.7870    3.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1740   19.6930    4.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5490   19.4560    6.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2670   18.3090    6.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  2  8  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 10 15  1  0
 14 15  2  0
M  END