REMARK  Name = BDB003703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.090  -0.318  -0.844  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.660  -0.334   0.433  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.673  -1.257   0.719  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1        3.103  -2.176  -0.243  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        2.542  -2.146  -1.519  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.546  -1.215  -1.821  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.130   0.985  -2.382  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.024   0.653  -1.213  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1       -0.770   1.105  -0.180  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -0.840   0.516   0.641  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -1.982   1.869  -0.468  0.00  0.00    +0.131 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.164   0.956  -0.899  0.00  0.00    +0.140 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -3.388  -0.128   0.088  0.00  0.00    -0.291 NA
ATOM     14  C   LIG    1       -4.262  -1.200  -0.383  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.510  -2.017   0.878  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -4.218  -1.069   2.037  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -3.926   0.275   1.384  0.00  0.00    +0.085 C 
ENDBRANCH  12  13
BRANCH  12  18
ATOM     18  C   LIG    1       -4.376   1.776  -1.239  0.00  0.00    +0.123 A 
ATOM     19  O   LIG    1       -4.728   2.775  -0.374  0.00  0.00    -0.466 OA
ATOM     20  C   LIG    1       -5.830   3.378  -0.888  0.00  0.00    +0.195 A 
ATOM     21  C   LIG    1       -6.193   2.788  -2.075  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -5.253   1.756  -2.306  0.00  0.00    +0.046 A 
ENDBRANCH  12  18
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  S   LIG    1        3.393  -1.274   2.346  0.00  0.00    +0.072 S 
ATOM     24  O   LIG    1        2.381  -0.796   3.265  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1        4.038  -2.555   2.539  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  N   LIG    1        4.560  -0.058   2.255  0.00  0.00    -0.216 N 
ATOM     27  H   LIG    1        4.192   0.852   2.528  0.00  0.00    +0.174 HD
BRANCH  26  28
ATOM     28  C   LIG    1        5.538  -0.103   1.225  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        5.532   0.887   0.242  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        6.460   0.839  -0.802  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        7.389  -0.199  -0.854  0.00  0.00    +0.018 A 
ATOM     32 BR   LIG    1        8.641  -0.267  -2.268  0.00  0.00    -0.050 Br
ATOM     33  C   LIG    1        7.402  -1.187   0.129  0.00  0.00    +0.017 A 
ATOM     34  C   LIG    1        6.473  -1.138   1.171  0.00  0.00    +0.025 A 
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   3  23
TORSDOF 8