matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10423.mol

Summary

Maintainability
Test Coverage
x10423
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.5030   -0.6460   20.8550 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3190   -1.1350   26.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0700    0.9700   21.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1230   -1.9350   21.2440 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6580   -1.6820   24.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5440    0.5840   17.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4120   -0.6690   23.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1880   -0.9500   22.5770 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6020   -0.1170   21.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7630   -0.0060   19.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1810   -0.0450   18.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4470    1.2800   17.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9510    1.3740   19.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6140    0.7370   20.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550    0.9200   21.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6630   -0.6060   22.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0670    0.5380   23.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3960    0.9340   23.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3460    0.1830   22.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9420   -0.9720   22.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6220   -1.3790   22.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0
  5  7  1  0
  8  7  1  1
  1  9  1  0
  3  9  2  0
  8  9  1  0
  1 10  1  0
  6 11  2  0
 10 11  1  0
  6 12  1  0
 12 13  2  0
 10 14  2  0
 13 14  1  0
 14 15  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  4 20  1  0
 19 20  1  0
 16 21  1  0
 20 21  2  0
M  END