matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11233.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.1730    1.1690   21.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750    0.1160   21.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6620   -0.4930   20.7560 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1450   -0.0340   19.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8900    0.5000   19.4590 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9080    0.7150   20.5400 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0450    1.9300   21.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350    1.8300   20.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7730    0.8500   18.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8590    0.5730   17.4910 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7450    0.0010   18.3870 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1270   -0.5590   22.7680 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8600   -2.0730   22.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6440   -0.3740   22.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4490   -0.9820   21.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8090   -0.7270   21.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3860    0.1370   22.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6110    0.7440   23.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2530    0.4680   23.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5590    1.0360   24.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070    1.3820   24.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4270    0.1710   23.9430 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  1  6
  7  6  1  0
  8  7  1  0
  8  6  1  0
  9  5  1  0
 10  9  2  0
 11 10  1  0
 11  4  2  0
 12  2  1  0
 12 13  1  6
 14 12  1  0
 15 14  2  0
 16 15  1  0
 17 16  2  0
 18 17  1  0
 19 14  1  0
 19 18  2  0
 20 19  1  0
 21 20  1  0
 22 21  1  0
 22 12  1  0
M  END