matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1249.mol

Summary

Maintainability
Test Coverage
x1249
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.4410    0.6920   24.9290 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6960    1.4480   24.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1680    2.4460   23.4520 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8240    1.0280   25.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9740   -1.7640   20.5880 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4670    1.0570   23.6600 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7470    0.4040   24.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3280    0.9470   23.8110 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9100    1.0660   23.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7610    0.4850   22.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4290   -0.7530   22.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2690   -1.3270   21.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2700   -1.4230   22.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4310   -0.8440   23.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4710    0.8350   25.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0410    0.3340   24.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140    1.0220   22.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080    1.6330   22.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  1  4  1  0
  4  7  1  0
  2  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
  5 12  3  0
 11 12  1  0
 11 13  1  0
  7 14  1  0
 13 14  2  0
  8 15  1  0
  6 16  1  0
 15 16  1  0
  6 17  1  0
  8 18  1  0
 17 18  1  0
M  END