matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3298.mol

Summary

Maintainability
Test Coverage
x3298
     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.6030    1.9220   22.5390 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740   -0.1160   21.1490 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6780   -0.5950   22.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1530    1.2600   21.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2050    1.4060   24.6700 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1400    1.6640   20.8820 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1730    3.0330   23.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350    0.4710   17.4950 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2230    1.4940   26.1010 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0400    4.3400   22.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8700   -0.5760   25.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8190    5.3510   23.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7300    5.0740   24.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8540    3.7860   24.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0530    2.7620   24.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3950    0.0180   23.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5740    0.6750   23.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3170    0.2530   22.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8540   -0.8110   21.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6830   -1.4630   22.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9400   -1.0400   23.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7820    0.1970   19.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    0.7310   19.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8510    1.1430   18.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5100    1.0000   17.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3370    0.0750   18.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -1.2460   20.7950 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4320    0.5730   25.3440 S   0  0  1  0  0  0  0  0  0  0  0  0
  2  3  1  6
  1  4  1  0
  2  4  1  0
  4  6  2  0
  1  7  1  0
  7 10  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
  5 15  1  0
  7 15  1  0
 14 15  2  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 16 21  1  0
 20 21  2  0
  2 22  1  0
 22 23  1  0
 23 24  2  0
  8 25  2  0
 24 25  1  0
  8 26  1  0
 22 26  2  0
 19 27  1  0
 28  5  1  6
  9 28  2  0
 11 28  2  0
 16 28  1  0
M  END