matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2569.mol

Summary

Maintainability
Test Coverage
x2569
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   12.2060    0.5260   24.1320 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4050    0.1530   21.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    0.9050   20.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8630   -0.6250   22.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2520   -1.9300   20.5260 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3560   -0.4720   22.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000    0.0070   21.2570 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    0.3070   23.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6460    0.6430   17.6440 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0420   -0.0510   23.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6110   -0.8540   22.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5400   -1.4500   21.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2440   -1.0650   22.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4770    0.2150   20.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160    0.7950   20.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6960    1.3260   18.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4410    1.2230   17.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1480    0.1580   18.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0
  2  4  1  0
  4  6  1  0
  2  7  1  0
  1  8  2  0
  6  8  1  0
  1 10  1  0
 10 11  2  0
  5 12  3  0
 11 12  1  0
  6 13  2  0
 11 13  1  0
  7 14  1  0
 14 15  1  0
 15 16  2  0
  9 17  2  0
 16 17  1  0
  9 18  1  0
 14 18  2  0
M  END