matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10473.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.4990    1.0660   21.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0660    0.0080   21.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7900   -0.7390   22.6360 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2350   -1.0020   22.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1920   -1.5680   23.2250 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6140   -1.8030   22.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2680   -0.6910   23.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7430    0.1170   23.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9340   -0.5880   21.1130 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0890   -0.0730   20.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8670    0.5270   20.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4240    0.6660   21.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0920    1.0470   19.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    0.9640   18.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7060    0.4020   17.7750 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4560   -0.1070   18.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  1  6
  6  5  1  0
  7  6  1  0
  7  5  1  0
  3  8  1  1
  9  2  1  0
 10  9  1  0
 11 10  2  0
 12 11  1  0
 13 11  1  0
 14 13  2  0
 15 14  1  0
 16 15  2  0
 16 10  1  0
M  END