matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11801.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.8070    0.9260   21.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3050   -0.1500   21.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2510   -0.6810   20.7070 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090   -0.0260   19.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3690    0.7210   20.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9130    0.8640   21.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7030    1.3860   19.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1830    1.3070   17.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2710    0.6060   17.3920 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9100   -0.0530   18.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230   -0.9820   22.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690   -0.6570   22.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2880   -1.3680   22.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5880   -0.9180   22.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8660   -1.8460   21.5760 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9030    0.2380   22.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920    0.4620   23.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8950    0.9400   23.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2220    2.1820   24.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8870    3.4680   23.8300 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7190    3.9620   23.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8710    3.2560   22.8560 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4970    5.4280   23.6340 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  2  0
  6  5  1  0
  7  5  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  4  1  0
 11  2  1  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  1  0
 16 14  2  0
 17 12  1  0
 18 17  2  0
 18 16  1  0
 19 18  1  0
 20 19  1  0
 21 20  1  0
 22 21  2  0
 23 21  1  0
M  END