matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2540.mol

Summary

Maintainability
Test Coverage
x2540
     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
    7.5660   -1.1090   21.6630 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0180   -4.1010   19.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5440   -2.0870   21.4650 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890   -3.5650   21.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9690    1.9710   22.8400 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1530    1.6180   20.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7530   -2.2270   21.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7040    0.1890   17.5220 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8550   -1.9080   24.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1860    0.2770   21.2930 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5680   -1.9710   23.6710 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2070    1.3650   21.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7880    3.0380   23.4670 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5870    2.9280   24.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2820    4.3860   22.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690    2.8860   23.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5870    0.4910   19.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1700   -0.0220   18.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6060    0.9470   17.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9390    1.4930   18.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400    1.2550   19.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7210   -1.3610   22.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6880   -1.2870   23.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630   -0.9390   22.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1220   -1.0560   23.8180 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9890   -0.7920   22.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1870    0.1500   24.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6550   -2.2900   24.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4100   -3.7910   18.8590 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  1  7  1  0
  3  7  2  0
  4  7  1  0
  1 10  1  0
  9 11  1  0
  5 12  1  0
  6 12  2  0
 10 12  1  1
  5 13  1  0
 13 14  1  1
 13 15  1  0
 13 16  1  0
 10 17  1  0
  8 18  2  0
 17 18  1  0
  8 19  1  0
 19 20  2  0
 17 21  2  0
 20 21  1  0
  1 22  1  0
 11 22  2  0
  9 23  1  0
 22 24  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  6
 25 27  1  0
 25 28  1  0
  2 29  1  0
M  END