REMARK  Name = BDB032925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.236  -0.421  -1.643  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -0.105   0.247  -2.127  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -0.013   0.570  -3.486  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -1.024   0.177  -4.364  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.128  -0.532  -3.887  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.234  -0.834  -2.528  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.988   0.683  -1.228  0.00  0.00    +0.256 C 
ATOM      8  N   LIG    1        1.708  -0.296  -0.531  0.00  0.00    -0.249 N 
ATOM      9  C   LIG    1        1.630  -1.714  -0.901  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1        1.169   1.899  -1.202  0.00  0.00    -0.269 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.542   0.032   0.547  0.00  0.00    +0.169 A 
ATOM     12  S   LIG    1        2.652   1.615   1.201  0.00  0.00    -0.029 S 
ATOM     13  C   LIG    1        3.750   1.064   2.369  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        3.967  -0.284   2.216  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1        3.268  -0.874   1.178  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        4.350   1.939   3.385  0.00  0.00    -0.022 NA
ATOM     17  O   LIG    1        5.120   1.373   4.169  0.00  0.00    -0.143 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  18
ATOM     18  O   LIG    1       -1.373  -0.746  -0.321  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.014   0.322   0.394  0.00  0.00    +0.232 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.001   0.948   2.622  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -2.201  -0.105   1.857  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -0.856  -0.351   2.544  0.00  0.00    +0.010 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6