matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1384.mol

Summary

Maintainability
Test Coverage
x1384
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.6880   -3.6740   21.8100 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2790   -3.3010   20.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560   -4.0650   19.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8840   -3.7250   20.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350   -3.4620   25.5050 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3610   -2.0120   25.9460 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360   -4.3500   22.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910   -5.6870   22.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4600   -6.2720   23.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8730   -5.5530   24.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2290   -4.2240   24.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1600   -3.6160   23.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2480   -3.6740   25.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -2.4770   26.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180   -2.0080   27.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2570   -2.4580   26.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6220   -3.4090   18.3260 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  1  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  5 11  1  0
 10 11  1  0
  7 12  1  0
 11 12  2  0
  5 13  1  0
 13 14  1  0
 14 15  1  0
  5 16  1  0
  6 16  2  0
 15 16  1  0
  2 17  1  0
M  END