matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1308.mol

Summary

Maintainability
Test Coverage
x1308
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.7130   -5.0530   21.7990 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9440   -3.5870   20.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9020   -4.6500   19.7340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260   -1.3070   26.2220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7660   -4.4780   20.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9190   -5.4280   24.4530 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140   -5.0610   26.8280 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7850   -6.1300   22.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -6.7880   26.1450 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -5.7560   23.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -4.2720   24.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5800   -4.6560   22.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390   -4.3070   26.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -2.9960   26.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020   -2.0670   26.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160   -2.4710   26.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240   -3.7760   25.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480   -4.7010   25.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3450   -5.4890   25.9830 S   0  0  2  0  0  0  0  0  0  0  0  0
    8.2520   -3.4270   18.5250 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  3  5  2  0
  1  8  1  0
  6 10  1  0
  8 10  1  0
  6 11  1  0
  1 12  1  0
 11 12  1  0
 13 14  2  0
 14 15  1  0
  4 16  1  0
 15 16  2  0
 16 17  1  0
 13 18  1  0
 17 18  2  0
  6 19  1  0
  7 19  2  0
  9 19  2  0
 19 13  1  6
  2 20  1  0
M  END