matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7d3i.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 33 36  0  0  0  0  0  0  0  0999 V2000
   10.4730   -0.2430   22.0640 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8190   -3.1930   19.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0580   -0.8740   18.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7100    1.8630   19.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720    1.3620   18.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6460    3.5180   22.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7790    5.6740   23.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5770    8.0060   22.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250    2.0850   20.8710 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2370    2.1650   21.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5730    1.0970   22.6440 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0860    1.1010   24.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470   -0.3150   24.2500 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0570   -0.3850   24.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3450   -1.3580   22.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0310   -2.0380   22.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9150   -1.1700   23.1720 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0800   -0.6160   21.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1450   -0.3070   22.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9410   -1.2100   20.4940 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6480   -1.7030   20.0540 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5540   -3.7740   19.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6940    0.5700   19.2890 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5630    0.6710   20.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1080    2.0890   18.4590 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7010    1.3550   17.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4270    4.2300   23.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2820    6.6730   22.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0640    8.9460   21.9700 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3530    8.3630   23.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8800    7.3620   24.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6400    7.7100   25.7180 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5950    6.0150   24.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  2  0
 10  6  1  0
 11 10  1  0
 11  1  1  0
 12 11  1  0
 13 12  1  6
 14 13  1  0
 15 14  1  0
 16 15  1  0
 17  1  1  0
 17 16  1  6
 17 13  1  0
  1 18  1  1
 19 18  2  0
 20 18  1  0
 21 20  1  0
 21  3  1  6
 21  2  1  0
 22  2  2  0
 23  5  1  0
 23  3  1  6
 24  4  1  0
 24 23  1  0
 25  4  1  0
 25  5  1  0
 26  5  2  0
 27  6  1  0
 27  7  1  0
 28  8  2  0
 28  7  1  0
 29  8  1  0
 30  8  1  0
 31 30  2  0
 32 31  1  0
 33 31  1  0
 33  7  2  0
M  END