matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10022.mol

Summary

Maintainability
Test Coverage
x10022
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.6650   -0.9610   22.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8360   -0.8690   22.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4980    0.9740   20.9810 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210   -0.2790   21.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8860    0.4300   17.6710 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9740   -0.0300   21.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0130   -0.8490   22.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4010    0.3140   23.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7470    0.6060   23.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7010   -0.2550   22.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200   -1.4330   22.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9790   -1.7410   22.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8620    0.2020   20.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840    0.9340   20.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200    1.4130   18.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7540    1.1390   17.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4180   -0.0250   18.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0
  1  6  1  0
  3  6  2  0
  4  6  1  0
  1  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  7 12  1  0
 11 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
  5 16  2  0
 15 16  1  0
  5 17  1  0
 13 17  2  0
M  END