matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10862.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.3370   -0.2310   21.9250 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370   -0.1050   21.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900   -0.2400   24.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1870   -0.4840   22.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1840    1.6000   20.6280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4680    2.1670   20.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9230    0.4570   23.0710 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0360    1.0180   18.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2010    0.8330   22.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700   -0.1080   19.2560 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4960   -0.4870   19.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290    0.5400   22.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4290    0.5770   22.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5560   -0.3360   22.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0810    1.6530   21.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    0.0290   23.4280 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1120    0.3920   20.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0690    1.7600   23.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620   -1.4330   24.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0720    1.8940   18.6010 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030   -0.1710   24.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7850    1.1360   17.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4890    1.5390   19.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0260    0.3930   20.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5690   -1.7540   21.5680 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.4420    1.8900   23.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  3  1  1
  7  1  1  0
 10  8  1  0
 10 11  1  1
 12  2  2  0
 13  7  1  0
 13  4  2  0
 14  9  2  0
 14  4  1  0
 15  6  2  0
 15 12  1  0
 16 12  1  0
 17  2  1  0
 17 10  1  0
 18 13  1  0
 20  8  1  0
 21 19  1  0
 21  3  1  0
 22  8  2  0
 23 20  1  0
 23 17  2  0
 23  6  1  0
 24 11  1  0
 24  5  2  0
 24  1  1  0
 25 14  1  0
 26 18  2  0
 26  9  1  0
M  END