matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11428.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.2810    0.5870   20.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5470   -0.1660   21.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2660   -0.4350   21.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960    0.1020   20.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1480   -0.0060   18.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5730    0.5090   17.6940 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    1.1460   17.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800    1.3030   19.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750    0.7860   20.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430    0.9940   21.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0160   -0.8040   22.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4420   -0.5650   23.0260 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8140   -0.7050   24.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2850   -0.4060   24.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1600   -1.2780   23.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7140   -1.2110   22.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2370   -1.4990   22.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  2  0
  9  4  1  0
 10  9  1  0
 11  2  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 15 14  1  0
 16 15  1  0
 17 12  1  0
 17 16  1  0
M  END