matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11642.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.5830    1.0330   21.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980   -0.1720   21.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3170   -0.9950   20.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5420   -0.2330   19.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4520    0.6030   20.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0200    0.7820   21.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9780    1.6110   21.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3140    2.2930   20.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6920    2.1600   19.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7710    1.3150   19.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310    1.1470   17.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    0.3730   17.3940 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8740   -0.2940   18.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4200   -0.8730   21.9320 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920   -0.3790   22.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7110   -1.1970   22.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8450   -0.6960   23.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1930   -1.7590   23.5330 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9130    0.5980   23.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6300    0.9240   23.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7890    1.3970   23.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7600    2.6760   24.1730 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3990    3.7300   23.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9870    3.5210   22.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6470    4.5950   21.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6970    5.8110   22.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4260    4.8780   24.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0590    5.8940   23.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1120    7.1020   24.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4830    7.2470   25.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  1  0
  6  5  2  0
  7  6  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  5  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 13  4  2  0
 14  2  1  0
 15 14  1  0
 16 15  2  0
 17 16  1  0
 18 17  1  0
 19 17  2  0
 20 15  1  0
 21 20  2  0
 21 19  1  0
 22 21  1  0
 23 22  1  0
 24 23  2  0
 25 24  1  0
 26 25  2  0
 27 23  1  0
 28 27  2  0
 28 26  1  0
 29 28  1  0
 30 29  1  0
M  END