matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10488.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
   10.5590   -0.5060   23.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4150    0.6260   17.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4100    1.5050   23.7200 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3370    0.7820   23.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1440   -0.5140   20.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4460    0.6060   23.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7090   -0.3860   25.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4580    0.1590   19.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9370    0.0090   18.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620    1.4330   17.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8090    1.6530   18.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6620   -1.6730   22.5400 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9220    1.2420   23.8420 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4370    0.9540   25.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8390   -0.5500   23.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9840   -1.3700   21.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0110    0.4920   21.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9810    0.4790   23.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6730    1.3090   21.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0300   -0.3070   23.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3720    1.0050   19.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9460   -1.9830   23.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0
  4  3  2  0
  6  3  1  0
  8  5  1  0
  9  8  1  0
  9  2  2  0
 10  2  1  0
 11 10  2  0
 13  4  1  1
 14 13  1  0
 14  7  1  0
 15  1  2  0
 12 15  1  1
 15  6  1  0
 16 12  1  0
 17  5  1  0
 18 17  1  0
 18 13  1  0
 19 17  2  0
 20 18  1  0
 20  7  1  0
 21 11  1  0
 21  8  2  0
 22 16  1  0
 22 12  1  0
M  END