REMARK  Name = BDB034817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.829  -0.680   1.355  0.00  0.00    +0.223 C 
ATOM      2  N   LIG    1       -0.071  -0.095   0.367  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1       -0.512   0.431  -0.375  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.412  -1.354   2.291  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.296  -0.132   0.235  0.00  0.00    +0.167 A 
ATOM      6  S   LIG    1        2.323  -0.936   1.332  0.00  0.00    -0.032 S 
ATOM      7  C   LIG    1        3.667  -0.456   0.407  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1        3.244   0.293  -0.687  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1        4.235   0.770  -1.558  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        5.565   0.461  -1.266  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        5.850  -0.299  -0.137  0.00  0.00    +0.108 A 
ATOM     12 BR   LIG    1        7.672  -0.701   0.230  0.00  0.00    -0.029 Br
ATOM     13  N   LIG    1        4.935  -0.781   0.732  0.00  0.00    -0.231 NA
ATOM     14  N   LIG    1        1.876   0.475  -0.776  0.00  0.00    -0.223 NA
ENDBRANCH   2   5
BRANCH   1  17
ATOM     15  N   LIG    1       -3.971  -0.102  -0.496  0.00  0.00    -0.269 N 
ATOM     16  C   LIG    1       -2.904  -1.048  -0.058  0.00  0.00    +0.129 C 
ATOM     17  C   LIG    1       -2.327  -0.449   1.223  0.00  0.00    +0.095 C 
ATOM     18  C   LIG    1       -2.738   1.018   1.182  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -4.106   0.965   0.526  0.00  0.00    +0.117 C 
BRANCH  15  21
ATOM     20  N   LIG    1       -5.781  -0.712  -2.105  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -4.942  -0.428  -1.361  0.00  0.00    +0.169 C 
ENDBRANCH  15  21
ENDBRANCH   1  17
TORSDOF 3