matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0708.mol

Summary

Maintainability
Test Coverage
x0708
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.9680   -4.4570   20.9070 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7730   -2.6650   19.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6850   -3.7880   19.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7110   -3.6680   19.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8780   -4.0900   21.8800 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6810   -2.4430   22.8250 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7780   -2.9170   22.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0150   -2.1570   22.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2150   -2.1210   22.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1570   -1.2200   22.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5130   -0.9250   22.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3610   -0.1270   23.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5980    0.9740   23.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4850    0.4200   24.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7180   -0.5990   23.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1320   -1.0900   24.1880 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750   -3.3650   18.2920 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  5  1  0
  5  7  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 10 15  2  0
 14 15  1  0
  8 16  1  0
 15 16  1  0
  2 17  1  0
M  END