REMARK  Name = BDB059603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.861  -0.389   0.762  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        1.359  -0.843   1.534  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -2.864  -0.487   0.393  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -1.532  -0.032   0.428  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.482  -0.903   0.720  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -0.738  -2.260   0.928  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -2.039  -2.739   0.909  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.090  -1.857   0.640  0.00  0.00    +0.009 A 
BRANCH   3   9
ATOM      9  C   LIG    1       -4.023   0.463   0.074  0.00  0.00    +0.082 C 
ATOM     10  C   LIG    1       -4.161   1.709   0.952  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1       -5.126   0.581   1.128  0.00  0.00    +0.028 C 
BRANCH   9  13
ATOM     12  N   LIG    1       -4.821   0.747  -2.402  0.00  0.00    -0.196 NA
ATOM     13  C   LIG    1       -4.457   0.616  -1.307  0.00  0.00    +0.074 C 
ENDBRANCH   9  13
ENDBRANCH   3   9
BRANCH   6  14
ATOM     14  O   LIG    1        0.273  -3.152   1.155  0.00  0.00    -0.505 OA
ATOM     15  H   LIG    1        0.952  -3.015   0.458  0.00  0.00    +0.292 HD
ENDBRANCH   6  14
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1        1.725  -0.670  -0.674  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1        1.004  -0.082  -1.784  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        2.090  -2.072  -0.651  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.173   0.302  -0.414  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1        3.305   1.572  -0.980  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1        4.462   2.314  -0.744  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        5.493   1.785   0.035  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        5.364   0.507   0.577  0.00  0.00    +0.020 A 
ATOM     24 BR   LIG    1        6.763  -0.214   1.622  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1        4.211  -0.243   0.355  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  O   LIG    1        2.371   2.178  -1.770  0.00  0.00    -0.505 OA
ATOM     27  H   LIG    1        1.676   1.539  -2.043  0.00  0.00    +0.292 HD
ENDBRANCH  20  26
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7