REMARK  Name = BDB035259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.447  -2.827   0.432  0.00  0.00    +0.073 S 
ATOM      2  O   LIG    1       -1.176  -2.773   1.682  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.177  -4.053  -0.017  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   9
ATOM      4  C   LIG    1        4.794   1.749   0.030  0.00  0.00    +0.156 C 
ATOM      5  N   LIG    1        3.579   1.420   0.718  0.00  0.00    -0.277 N 
ATOM      6  C   LIG    1        2.779   0.335   0.458  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1        1.736   0.410   1.361  0.00  0.00    +0.159 A 
ATOM      8  C   LIG    1        0.730  -0.531   1.392  0.00  0.00    +0.077 A 
ATOM      9  C   LIG    1        0.806  -1.565   0.451  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        1.880  -1.653  -0.464  0.00  0.00    +0.031 A 
ATOM     11  O   LIG    1        1.833   1.508   2.200  0.00  0.00    -0.407 OA
ATOM     12  C   LIG    1        2.887  -0.682  -0.467  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.016   2.124   1.764  0.00  0.00    +0.421 A 
ATOM     14  O   LIG    1        3.459   3.147   2.268  0.00  0.00    -0.223 OA
ENDBRANCH   1   9
BRANCH   1  15
ATOM     15  N   LIG    1       -1.469  -2.341  -0.815  0.00  0.00    -0.214 N 
ATOM     16  H   LIG    1       -1.234  -2.801  -1.694  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -1.976  -1.011  -0.876  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1       -2.731  -0.413   0.148  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -3.229   0.900   0.065  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -3.935   1.139   1.287  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -3.857   0.003   2.057  0.00  0.00    +0.103 A 
ATOM     22 CL   LIG    1       -4.744   2.559   1.761  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -2.933   1.616  -1.118  0.00  0.00    +0.052 A 
ATOM     24 CL   LIG    1       -3.508   3.218  -1.267  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -2.193   1.042  -2.153  0.00  0.00    +0.022 A 
ATOM     26  N   LIG    1       -3.144  -0.927   1.361  0.00  0.00    -0.358 N 
ATOM     27  H   LIG    1       -2.888  -1.851   1.699  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1       -1.725  -0.261  -2.031  0.00  0.00    +0.028 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 3