matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1336.mol

Summary

Maintainability
Test Coverage
x1336
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.4150   -2.4510   23.7480 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0060   -5.1420   29.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5710   -1.0100   25.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0200   -4.7670   28.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1510   -3.3450   21.1010 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1370   -1.4060   25.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1670   -5.5180   27.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7390   -4.2940   19.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1010   -5.1780   26.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9170   -4.0680   26.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9690   -3.7590   25.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7580   -3.3050   26.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8230   -3.6590   27.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330   -1.5610   22.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2200   -2.4070   21.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930   -4.1630   22.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2630   -3.2780   23.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6300   -3.4920   19.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2070   -2.6490   18.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -1.8900   25.2870 S   0  0  1  0  0  0  0  0  0  0  0  0
    8.8130   -3.3220   18.2480 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  7  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
  4 13  1  0
 12 13  2  0
  1 14  1  0
  5 15  1  0
 14 15  1  0
  5 16  1  0
  1 17  1  0
 16 17  1  0
  5 18  1  0
  8 18  2  0
 18 19  1  0
  1 20  1  0
  3 20  2  0
  6 20  2  0
 20 12  1  1
 19 21  1  0
M  END