REMARK  Name = BDB023329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.459   0.445  -0.752  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -2.437   0.129   0.159  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.180   0.696  -0.056  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1       -0.880   1.552  -1.102  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        0.490   1.893  -0.948  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        0.952   1.226   0.177  0.00  0.00    +0.192 A 
ATOM      7  C   LIG    1       -1.908   1.867  -1.998  0.00  0.00    +0.136 A 
ATOM      8  F   LIG    1       -1.683   2.692  -3.029  0.00  0.00    -0.205 F 
ATOM      9  O   LIG    1       -0.080   0.497   0.716  0.00  0.00    -0.450 OA
ATOM     10  C   LIG    1       -3.181   1.317  -1.818  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -5.494  -0.756   1.658  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -5.194  -1.178   0.234  0.00  0.00    +0.072 C 
ATOM     13  N   LIG    1       -4.767  -0.080  -0.601  0.00  0.00    -0.327 N 
ATOM     14  C   LIG    1       -5.621  -0.480  -1.690  0.00  0.00    +0.107 C 
ATOM     15  C   LIG    1       -6.428  -1.289  -0.677  0.00  0.00    +0.041 C 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  C   LIG    1        2.238   1.162   0.847  0.00  0.00    +0.298 C 
ATOM     17  N   LIG    1        3.251   1.847   0.168  0.00  0.00    -0.179 N 
ATOM     18  H   LIG    1        3.103   2.291  -0.729  0.00  0.00    +0.177 HD
ATOM     19  O   LIG    1        2.440   0.556   1.888  0.00  0.00    -0.265 OA
BRANCH  17  20
ATOM     20  S   LIG    1        4.801   2.027   0.725  0.00  0.00    +0.075 S 
ATOM     21  O   LIG    1        4.770   2.526   2.080  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        5.486   2.764  -0.319  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.442   0.374   0.713  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1        5.998  -0.142  -0.463  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        6.528  -1.432  -0.463  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.511  -2.195   0.706  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.970  -1.670   1.880  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.440  -0.380   1.890  0.00  0.00    +0.029 A 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH   6  16
TORSDOF 4