matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0755.mol

Summary

Maintainability
Test Coverage
x0755
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.6830   -5.2300   24.3980 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4950   -4.1370   25.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3970   -6.3160   26.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -3.1720   25.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5390   -5.1210   21.7270 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1430   -4.6600   26.7540 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020   -1.8490   25.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7960   -4.8820   19.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -1.4840   25.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870   -2.4720   25.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390   -3.8110   25.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -5.3470   23.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4150   -5.9680   22.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5060   -4.9800   22.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8330   -4.3870   24.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5840   -4.5640   20.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -3.4800   20.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210   -5.4340   25.6900 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4880   -2.1120   26.0630 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0690   -5.0840   25.9100 S   0  0  1  0  0  0  0  0  0  0  0  0
    8.3260   -3.4260   18.5670 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0
  4  7  1  0
  7  9  2  0
  9 10  1  0
  2 11  1  0
 10 11  2  0
  1 12  1  0
  5 13  1  0
 12 13  1  0
  5 14  1  0
  1 15  1  0
 14 15  1  0
  5 16  1  0
  8 16  2  0
 16 17  1  0
  2 18  1  0
 10 19  1  0
  1 20  1  0
  3 20  2  0
  6 20  2  0
 20 11  1  6
 17 21  1  0
M  END