REMARK  Name = BDB023250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.671  -0.872   0.998  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.885  -0.591   1.577  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.493  -1.079  -0.371  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -2.406  -1.365  -1.132  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.122  -0.873  -0.782  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.812  -0.497   0.152  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.003  -0.371  -0.496  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.850  -0.660  -1.844  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.986  -0.581  -2.657  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.218  -0.217  -2.103  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.343   0.082  -0.738  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.907  -0.853  -3.967  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.213  -0.005   0.094  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.480  -0.981  -2.022  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.599   0.434  -0.196  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.714   1.018  -0.887  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.291   1.344   0.494  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        5.851   1.197   0.995  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.086  -1.144   1.816  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.839  -0.677   3.165  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.464  -2.513   1.554  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -5.478  -0.375   0.630  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -4.213   0.005   1.080  0.00  0.00    +0.151 A 
ATOM     24  C   LIG    1       -3.792   1.339   0.949  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -4.637   2.274   0.358  0.00  0.00    +0.020 A 
ATOM     26 BR   LIG    1       -4.064   4.066   0.171  0.00  0.00    -0.050 Br
ATOM     27  C   LIG    1       -5.902   1.902  -0.089  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -6.326   0.580   0.059  0.00  0.00    +0.049 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -5.985  -2.377  -0.393  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.965  -1.635   0.829  0.00  0.00    -0.493 OA
ENDBRANCH  22  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5