REMARK  Name = BDB003170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.271   0.399   0.340  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -0.868   0.513   0.337  0.00  0.00    +0.183 A 
ATOM      3  C   LIG    1       -0.076  -0.276  -0.526  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -0.690  -1.218  -1.350  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.083  -1.364  -1.326  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1       -2.866  -0.556  -0.487  0.00  0.00    +0.064 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.318  -0.040  -0.492  0.00  0.00    -0.278 N 
ATOM      8  H   LIG    1        1.578   0.700   0.149  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.329  -0.706  -1.163  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        2.139  -1.688  -1.874  0.00  0.00    -0.269 OA
BRANCH   9  11
ATOM     11  C   LIG    1        3.662  -0.143  -0.930  0.00  0.00    +0.074 A 
ATOM     12  S   LIG    1        5.042  -1.089  -1.329  0.00  0.00    -0.092 S 
ATOM     13  C   LIG    1        6.122   0.128  -0.813  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        5.461   1.244  -0.357  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        4.044   1.091  -0.427  0.00  0.00    +0.021 A 
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  C   LIG    1       -4.388   1.233   1.074  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -2.968   1.254   1.151  0.00  0.00    -0.491 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  O   LIG    1       -0.172   1.426   1.108  0.00  0.00    -0.490 OA
ATOM     19  C   LIG    1       -0.510   1.378   2.494  0.00  0.00    +0.277 C 
ENDBRANCH   2  18
BRANCH   5  20
ATOM     20  C   LIG    1       -2.784  -2.353  -2.181  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1       -3.988  -2.534  -2.209  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -1.951  -3.063  -2.958  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1       -2.533  -3.669  -3.461  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 6