REMARK  Name = BDB003245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.205  -0.228   0.524  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        1.219   0.925  -1.332  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1        1.361   0.252  -0.317  0.00  0.00    +0.215 C 
ATOM      4  N   LIG    1        2.583  -0.148   0.163  0.00  0.00    -0.308 N 
ATOM      5  H   LIG    1        2.653  -0.495   1.112  0.00  0.00    +0.149 HD
BRANCH   4   6
ATOM      6  C   LIG    1        3.805   0.329  -0.443  0.00  0.00    +0.178 C 
BRANCH   6   7
ATOM      7  C   LIG    1        4.941  -0.446   0.109  0.00  0.00    +0.122 A 
ATOM      8  O   LIG    1        5.139  -0.364   1.459  0.00  0.00    -0.466 OA
ATOM      9  C   LIG    1        6.215  -1.141   1.749  0.00  0.00    +0.195 A 
ATOM     10  C   LIG    1        6.710  -1.725   0.607  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.886  -1.278  -0.455  0.00  0.00    +0.046 A 
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1       -1.118   0.219  -0.074  0.00  0.00    +0.181 C 
BRANCH  12  13
ATOM     13  S   LIG    1       -2.475  -0.342   0.922  0.00  0.00    -0.003 S 
ATOM     14  O   LIG    1       -2.411   0.338   2.202  0.00  0.00    -0.169 OA
ATOM     15  O   LIG    1       -2.522  -1.790   0.853  0.00  0.00    -0.169 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -3.901   0.279   0.060  0.00  0.00    +0.088 A 
ATOM     17  C   LIG    1       -4.518  -0.513  -0.913  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -5.646  -0.028  -1.579  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -6.150   1.234  -1.260  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -7.678   1.886  -2.163  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -5.542   2.016  -0.278  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1       -4.414   1.537   0.391  0.00  0.00    +0.028 A 
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6