matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10306.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.3720   -2.6430   18.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3760   -2.7830   19.5010 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3000   -3.3120   19.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320   -2.2110   20.6650 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2360   -2.7180   21.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6660   -1.0930   20.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8240   -1.5120   21.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3680   -2.1020   22.9750 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4150   -3.2210   22.7570 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9920   -3.9130   24.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050   -5.0750   23.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4660   -6.1210   22.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7430   -5.7300   25.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5190   -2.4810   23.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6840   -1.5220   23.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6880   -1.7270   22.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7090   -0.8060   22.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9610   -1.0910   21.4780 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7730    0.3150   23.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7870    0.5070   24.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7530   -0.4050   24.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8400   -3.3780   18.4350 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  3  1  6
  4  2  1  0
  5  4  1  0
  6  4  1  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
  9  5  1  0
  9 10  1  1
 11 10  1  0
 11 12  1  0
 13 11  1  0
 14  8  1  0
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 17  1  0
 19 17  1  0
 20 19  1  0
 21 15  1  0
 21 20  1  0
  1 22  1  0
M  END