REMARK  Name = BDB032924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.598   1.010  -0.521  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1        1.304   0.260   0.428  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1        1.110   0.469   1.866  0.00  0.00    +0.140 C 
ATOM      4  O   LIG    1        0.904   1.185  -1.699  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.738   0.987   0.412  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1       -0.642   1.697  -0.091  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1       -0.728   3.085  -0.259  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.885   3.761   0.130  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.958   3.054   0.677  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.885   1.667   0.821  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -1.698  -0.372   0.576  0.00  0.00    -0.491 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -1.900  -2.518  -0.448  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -2.154  -1.032  -0.614  0.00  0.00    +0.226 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1        2.250  -0.699   0.045  0.00  0.00    +0.169 A 
ATOM     15  S   LIG    1        2.436  -1.223  -1.580  0.00  0.00    -0.029 S 
ATOM     16  C   LIG    1        3.641  -2.313  -1.095  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1        3.822  -2.244   0.266  0.00  0.00    +0.152 A 
ATOM     18  N   LIG    1        3.013  -1.330   0.918  0.00  0.00    -0.231 NA
BRANCH  16  19
ATOM     19  N   LIG    1        4.352  -3.195  -2.031  0.00  0.00    -0.022 NA
ATOM     20  O   LIG    1        5.188  -3.941  -1.509  0.00  0.00    -0.143 OA
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 5