matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10638.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.3370    0.6770   17.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990   -0.3590   23.3840 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    0.9180   19.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7810    0.3910   24.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    0.7200   24.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6380    0.5630   24.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890    1.6100   18.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0590   -0.2610   21.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2920    0.0660   19.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8190   -0.0220   18.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4060    0.2900   24.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   -1.0380   22.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4780    1.4310   25.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4660   -0.2570   23.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3990   -1.1500   22.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6570    1.1560   21.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8920   -0.6280   20.7330 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7070    0.7280   20.9810 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7750    0.8960   25.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990   -1.1470   22.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2850    1.4760   17.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7020   -0.4400   23.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6710   -1.9440   21.1670 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0
  6  2  1  0
  7  3  1  0
  9  3  2  0
 10  9  1  0
 10  1  2  0
 11  4  2  0
 13  6  1  0
 14 12  2  0
 14  4  1  0
 15 12  1  0
 16  3  1  0
 17  9  1  0
 17  8  1  0
 18  8  2  0
 19 13  1  0
 19 11  1  0
 20  8  1  0
 20  2  1  0
 21  7  2  0
 21  1  1  0
 22  2  1  0
 22 15  2  0
 22 11  1  0
 23 12  1  0
M  END