REMARK  Name = BDB032634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.471   1.492  -1.217  0.00  0.00    +0.237 A 
ATOM      2  O   LIG    1       -0.433   2.264  -0.104  0.00  0.00    -0.338 OA
ATOM      3  N   LIG    1        0.691   1.955   0.633  0.00  0.00    -0.076 NA
ATOM      4  C   LIG    1        1.354   1.009  -0.055  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1        0.647   0.700  -1.250  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.614   0.439   0.435  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        3.157   0.859   1.661  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        4.354   0.314   2.128  0.00  0.00    +0.019 A 
ATOM      9 BR   LIG    1        5.065   0.894   3.782  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        5.030  -0.653   1.390  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        4.504  -1.079   0.172  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.304  -0.538  -0.302  0.00  0.00    +0.010 A 
ENDBRANCH   4   6
BRANCH   1  13
ATOM     13  N   LIG    1       -1.522   1.563  -2.214  0.00  0.00    -0.183 N 
ATOM     14  H   LIG    1       -2.138   2.371  -2.137  0.00  0.00    +0.177 HD
BRANCH  13  16
ATOM     15  O   LIG    1       -3.615   0.524  -3.140  0.00  0.00    -0.150 OA
ATOM     16  S   LIG    1       -2.395   0.141  -2.461  0.00  0.00    +0.075 S 
ATOM     17  O   LIG    1       -1.504  -0.856  -3.017  0.00  0.00    -0.150 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.849  -0.369  -0.818  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1       -2.182  -1.435  -0.207  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -2.549  -1.825   1.080  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.583  -1.161   1.744  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.259  -0.110   1.121  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.898   0.287  -0.166  0.00  0.00    +0.029 A 
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4