matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10787.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.6710    0.5290   17.5810 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    0.6850   20.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4600   -0.4610   22.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6330   -2.5110   24.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1150   -0.5190   24.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    1.3020   19.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3620   -1.1650   22.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850   -0.1070   21.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7290   -0.0460   19.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420   -0.0950   18.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2850    0.8680   23.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5970   -2.3040   22.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5590   -1.9220   24.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9340    0.5520   23.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1830    0.1690   23.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9890    0.8660   21.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3940   -0.6600   20.9940 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0510    0.8780   21.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9680   -0.7690   22.8570 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5410    1.2080   17.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7040   -0.8460   22.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8200   -1.7760   21.2500 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0
  7  3  2  0
  9  2  2  0
 10  9  1  0
 10  1  2  0
 13 12  1  0
 13  5  1  0
 13  4  2  0
 14  3  1  0
 14 11  2  0
 15 11  1  0
 16  2  1  0
 17  9  1  0
 17  8  1  0
 18  8  2  0
 19  8  1  6
 19 12  1  0
 19  5  1  0
 19  3  1  0
 20  6  2  0
 20  1  1  0
 21 15  2  0
 21  7  1  0
 22 21  1  0
M  END