matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11498.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.0750    0.9330   21.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5980   -0.1580   21.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830   -0.9600   22.5730 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2800   -0.5370   23.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940    0.7810   24.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1940    0.7090   24.6880 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5680   -0.7060   22.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0250    0.1500   23.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3720    0.4550   23.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2900   -0.1090   23.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5100   -1.2860   21.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8480   -0.9830   22.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0100   -1.7520   21.0040 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6260   -0.7540   20.6530 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050   -0.2150   19.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5850    0.5400   20.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680    0.5750   21.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0580    1.2770   21.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.9760   21.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    1.9820   19.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8180    1.2690   19.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2390    1.2340   17.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3020    0.5650   17.4850 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920   -0.1470   18.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  5  4  1  0
  6  5  1  0
  7  3  1  0
  8  7  2  0
  8  6  1  0
  9  8  1  0
 10  9  2  0
 11  7  1  0
 12 11  2  0
 12 10  1  0
 13 12  1  0
 14  2  1  0
 15 14  1  0
 16 15  1  0
 17 16  2  0
 18 17  1  0
 19 18  2  0
 20 19  1  0
 21 20  2  0
 21 16  1  0
 22 21  1  0
 23 22  2  0
 24 23  1  0
 24 15  2  0
M  END