matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0749.mol

Summary

Maintainability
Test Coverage
x0749
     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.0410   -4.5540   21.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2970   -2.9850   19.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5130   -4.5260   19.6330 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450   -4.0740   20.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9170   -2.3490   23.6850 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130   -5.4220   22.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590   -6.3360   22.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9180   -5.5180   23.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2890   -4.1650   23.3320 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3690   -4.3030   21.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5560   -3.5730   23.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1330   -2.0750   24.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8190   -0.8660   24.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0200   -0.7620   24.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5490   -1.8270   25.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8830   -3.0280   25.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6710   -3.1410   25.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6120   -4.5120   24.9350 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7300   -3.6660   18.5240 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  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  9 10  1  0
  5 11  2  0
  9 11  1  1
  5 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 12 17  1  0
 16 17  2  0
 11 18  1  0
 17 18  1  0
  2 19  1  0
M  END