REMARK  Name = BDB034822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.788  -0.272  -1.398  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        1.383  -1.096   0.038  0.00  0.00    -0.055 S 
ATOM      3  C   LIG    1       -0.256  -0.723  -0.211  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -1.364  -1.138   0.693  0.00  0.00    +0.152 C 
ATOM      5  N   LIG    1       -2.606  -0.461   0.287  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1       -2.839  -0.319  -1.169  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1       -1.718   0.472  -1.861  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -3.649  -0.519   1.214  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1       -3.568  -1.133   2.274  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -0.395  -0.009  -1.381  0.00  0.00    +0.057 A 
ATOM     11  N   LIG    1        0.775   0.239  -2.063  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -4.903   0.215   0.928  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -4.871   1.570   0.576  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -6.066   2.249   0.335  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.285   1.581   0.461  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.316   0.237   0.838  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.125  -0.447   1.080  0.00  0.00    +0.013 A 
ENDBRANCH   8  12
BRANCH   1  19
ATOM     18  C   LIG    1        4.293  -0.519  -1.466  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1        3.056  -0.161  -1.895  0.00  0.00    -0.264 N 
ATOM     20  H   LIG    1        3.065   0.252  -2.820  0.00  0.00    +0.157 HD
ATOM     21  O   LIG    1        5.214  -0.380  -2.281  0.00  0.00    -0.275 OA
BRANCH  18  24
ATOM     22  N   LIG    1        5.796   0.580   1.256  0.00  0.00    -0.269 N 
ATOM     23  C   LIG    1        4.426   0.058   0.983  0.00  0.00    +0.129 C 
ATOM     24  C   LIG    1        4.585  -1.042  -0.067  0.00  0.00    +0.095 C 
ATOM     25  C   LIG    1        6.042  -1.474   0.108  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        6.769  -0.179   0.435  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1        6.259   2.807   2.284  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        6.049   1.773   1.809  0.00  0.00    +0.169 C 
ENDBRANCH  22  28
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 4