W190(1)
  THINK    6 420    3D                        W190(1)
 
 34 35                        999 V2000
    6.1341    2.2839   21.1880 C      0  0  0         999     1                0.0000    0.0000    0.0000
    6.4612    1.7501   22.5478 C      0  0  0         999     2                0.0000    0.0000    0.0000
    6.6893    2.6174   23.6306 C      0  0  0         999     3                0.0000    0.0000    0.0000
    6.9818    2.0665   24.8948 C      0  0  0         999     4                0.0000    0.0000    0.0000
    7.0621    0.7350   25.1203 N      0  0  0           1  1823                0.0000    0.0000    0.0000
    6.8529   -0.1008   24.0750 C      0  0  0         999     6                0.0000    0.0000    0.0000
    6.5495    0.3680   22.7803 C      0  0  0         999     7                0.0000    0.0000    0.0000
    6.3333   -0.5574   21.7117 N      0  0  0         999     8                0.0000    0.0000    0.0000
    6.4197   -1.8899   21.9415 C      0  0  0         999     9                0.0000    0.0000    0.0000
    6.2371   -2.6716   21.0388 O      0  0  0           1  1335                0.0000    0.0000    0.0000
    6.7415   -2.3934   23.3141 C      0  2  0         999    11                0.0000    0.0000    0.0000
    7.1437   -3.8605   23.2404 C      0  0  0         999    12                0.0000    0.0000    0.0000
    7.8730   -1.5958   23.8835 C      0  0  0         999    13                0.0000    0.0000    0.0000
    8.6552   -0.7855   23.0419 C      0  0  0         999    14                0.0000    0.0000    0.0000
    9.7196   -0.0360   23.5757 C      0  0  0         999    15                0.0000    0.0000    0.0000
   10.0027   -0.0963   24.9515 C      0  0  0         999    16                0.0000    0.0000    0.0000
    9.2201   -0.9073   25.7950 C      0  0  0         999    17                0.0000    0.0000    0.0000
    9.5786   -0.9858   27.5398 Cl     0  0  0         999    18                0.0000    0.0000    0.0000
    8.1551   -1.6560   25.2614 C      0  0  0         999    19                0.0000    0.0000    0.0000
    5.9960    1.4627   20.5002 H      0  0  0         999    20                0.0000    0.0000    0.0000
    6.9451    2.9081   20.8430 H      0  0  0         999    21                0.0000    0.0000    0.0000
    5.2268    2.8675   21.2388 H      0  0  0         999    22                0.0000    0.0000    0.0000
    6.6426    3.6582   23.4997 H      0  0  0         999    23                0.0000    0.0000    0.0000
    7.1452    2.7208   25.6997 H      0  0  0         999    24                0.0000    0.0000    0.0000
    6.9191   -1.1364   24.2349 H      0  0  0         999    25                0.0000    0.0000    0.0000
    6.1248   -0.2311   20.8223 H      0  0  0         999    26                0.0000    0.0000    0.0000
    5.8733   -2.2898   23.9480 H      0  0  0         999    27                0.0000    0.0000    0.0000
    7.3772   -4.2295   24.2282 H      0  0  0         999    28                0.0000    0.0000    0.0000
    8.0116   -3.9625   22.6057 H      0  0  0         999    29                0.0000    0.0000    0.0000
    6.3281   -4.4352   22.8269 H      0  0  0         999    30                0.0000    0.0000    0.0000
    8.4448   -0.7396   22.0142 H      0  0  0         999    31                0.0000    0.0000    0.0000
   10.3030    0.5687   22.9461 H      0  0  0         999    32                0.0000    0.0000    0.0000
   10.7971    0.4631   25.3496 H      0  0  0         999    33                0.0000    0.0000    0.0000
    7.5705   -2.2598   25.8909 H      0  0  0         999    34                0.0000    0.0000    0.0000
  1  2  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2  3  2  0
  2  7  1  0
  3  4  1  0
  3 23  1  0
  4  5  2  0
  4 24  1  0
  5  6  1  0
  6  7  2  0
  6 25  1  0
  7  8  1  0
  8  9  1  0
  8 26  1  0
  9 11  1  0
  9 10  2  0
 11 12  1  0
 11 13  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
 13 14  2  0
 13 19  1  0
 14 15  1  0
 14 31  1  0
 15 16  2  0
 15 32  1  0
 16 17  1  0
 16 33  1  0
 17 19  2  0
 17 18  1  0
 19 34  1  0
M  END
> <STRUCTURE ID>
W190(1)
 
> <E-Torsion>
0
 
> <G-TOT>
-28.358
 
> <SMILES>
Cc2c(NC(={1335}O)C(c1(cc(Cl)ccc1))C)c{1823}ncc2
 
> <E-VDW>
0
 
> <RMS>
1.713
 
> <Holes>
-61
 
> <G-HB>
0
 
> <G-LIP>
-3.961
 
> <G-BAD>
7.892
 
> <G-GAP>
0
 
> <G-ROT>
10.24
 
> <G-NB>
-37.539
 
> <QUERY>
INTERACT
> <RESIDUE_1>
GLY(143)A
> <RESIDUE_2>
GLN(189)A
$$$$
!Hits 1 from 1 of w190 in 3.422s for #1
