matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10525.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.4330   -1.4970   21.5150 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3450    0.5820   23.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8410   -0.4620   20.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080    0.3120   21.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8170   -1.0420   22.2900 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0390   -3.1670   23.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5570    1.0750   16.9180 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6290    1.1110   23.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1240   -0.6500   22.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    2.0600   21.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910   -1.3170   21.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4560   -0.7520   21.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9650    0.7740   17.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2730   -1.6260   20.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450    1.1220   22.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260    0.9350   23.2960 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8770   -2.4600   22.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3900   -0.2630   18.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740    0.4150   20.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2970    1.3900   19.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500    2.5620   24.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060    1.5310   18.3860 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2200    1.2180   23.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5660   -2.6230   20.9840 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1780   -1.9660   23.2170 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6730    0.4500   22.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2270    2.2020   19.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  2  2  0
  9  5  1  0
  9  2  1  0
 11  9  2  0
 12 11  1  0
 13  7  2  0
 14  3  1  0
 14  1  1  0
 15 10  1  0
 15  4  2  0
 16 15  1  0
 17  1  1  0
 18 13  1  0
 18  3  2  0
 19  4  1  0
 19  3  1  0
 20 19  2  0
 22 20  1  0
 22 13  1  0
 23 21  1  0
 23  2  1  0
 24 14  2  0
 25 17  1  0
 25  6  1  6
 25  5  1  0
 26 12  2  0
 26  8  1  0
 27 20  1  0
 27 10  2  0
M  END