matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11013.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.8310   -1.7830   21.3510 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5970   -1.0080   22.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9690   -0.0950   23.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9890    0.4210   24.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6620    0.0570   23.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2770   -1.3730   22.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2870   -0.8200   22.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8270   -1.0710   22.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3620   -0.1880   21.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540    0.7340   21.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1460   -0.5020   20.9870 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4810    0.1370   19.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3230    0.9030   20.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940    1.1330   21.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8920    0.0420   18.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2550    0.6130   17.5730 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1270    1.3440   17.8120 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830    1.4790   19.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  2  1  0
  7  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  1  0
 10  9  2  0
 11  9  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 12  1  0
 16 15  2  0
 17 16  1  0
 18 17  2  0
 18 13  1  0
M  END