REMARK  Name = BDB023193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.416  -1.380   1.765  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        1.180  -0.193   1.596  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        2.133   0.798   1.851  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        2.016   1.753   1.538  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.071   0.330   1.082  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.002  -0.575   0.636  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.085   0.122   0.202  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -1.873   1.481   0.359  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -2.898   2.348  -0.036  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.082   1.831  -0.572  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.267   0.449  -0.731  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -2.756   3.674   0.095  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.250  -0.434  -0.326  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.578   1.611   0.928  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -5.476  -0.054  -1.261  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -6.393   0.621  -2.136  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -7.018  -0.753  -2.400  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -5.679  -1.317  -1.914  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1        3.647   0.494   2.452  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        4.385   1.733   2.311  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.502  -0.128   3.749  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.357  -0.670   1.318  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1        4.588  -0.314  -0.019  0.00  0.00    +0.157 A 
ATOM     24  C   LIG    1        5.155  -1.262  -0.878  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        5.513  -2.527  -0.399  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        5.294  -2.857   0.936  0.00  0.00    +0.020 A 
ATOM     27 BR   LIG    1        5.780  -4.569   1.570  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1        4.716  -1.935   1.802  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  O   LIG    1        4.177   0.919  -0.442  0.00  0.00    -0.404 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.017   1.570  -1.391  0.00  0.00    +0.575 C 
ATOM     31  F   LIG    1        4.804   1.068  -2.627  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1        4.699   2.882  -1.413  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1        6.321   1.447  -1.072  0.00  0.00    -0.133 F 
ENDBRANCH  29  30
ENDBRANCH  23  29
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 6