REMARK  Name = BDB060368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.769  -1.983  -1.230  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.655  -1.566  -0.897  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.598  -0.312  -0.130  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.384   0.235   0.283  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.364   1.429   1.012  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -3.534   2.114   1.350  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -4.738   1.552   0.926  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1       -5.884   2.177   1.228  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -1.044   1.720   1.287  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -0.730   2.521   1.821  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.243   0.751   0.742  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        1.240   0.720   0.830  0.00  0.00    +0.163 C 
ATOM     13  N   LIG    1        1.686  -0.659   0.560  0.00  0.00    -0.169 NA
ATOM     14  C   LIG    1        1.008  -1.428  -0.520  0.00  0.00    +0.167 C 
ATOM     15  C   LIG    1       -0.513  -1.325  -0.522  0.00  0.00    +0.087 A 
ATOM     16  N   LIG    1       -1.202  -2.232  -1.138  0.00  0.00    -0.174 NA
ATOM     17  C   LIG    1       -1.058  -0.173   0.128  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -4.784   0.367   0.202  0.00  0.00    +0.052 A 
ATOM     19  N   LIG    1       -2.555  -2.308  -1.276  0.00  0.00    -0.242 N 
ATOM     20  H   LIG    1       -2.843  -3.136  -1.794  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  13  21
ATOM     21  S   LIG    1        3.306  -1.015   0.854  0.00  0.00    +0.035 S 
ATOM     22  O   LIG    1        3.731  -0.219   1.986  0.00  0.00    -0.158 OA
ATOM     23  O   LIG    1        3.421  -2.458   0.885  0.00  0.00    -0.158 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.367  -0.518  -0.537  0.00  0.00    +0.148 C 
ATOM     25  C   LIG    1        3.803   0.363  -1.615  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        4.699   0.954  -0.566  0.00  0.00    +0.029 C 
ENDBRANCH  21  24
ENDBRANCH  13  21
TORSDOF 2