REMARK  Name = BDB002675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.870  -2.927   0.744  0.00  0.00    +0.111 A 
ATOM      2  C   LIG    1       -0.241  -1.732   1.078  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -0.464  -0.633   1.919  0.00  0.00    +0.147 A 
ATOM      4  N   LIG    1        0.500   0.283   1.845  0.00  0.00    -0.172 NA
ATOM      5  N   LIG    1        1.378  -0.209   0.916  0.00  0.00    -0.214 N 
ATOM      6  C   LIG    1        0.951  -1.447   0.430  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1        1.541  -2.244  -0.488  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1        0.845  -3.367  -0.724  0.00  0.00    +0.224 A 
ATOM      9  N   LIG    1       -0.319  -3.747  -0.173  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.543   0.548   0.578  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        2.760   1.786   1.206  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        3.887   2.554   0.899  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        4.813   2.106  -0.047  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1        6.041   2.912  -0.351  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        4.607   0.867  -0.661  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        3.479   0.094  -0.357  0.00  0.00    +0.028 A 
ENDBRANCH   5  10
BRANCH   1  17
ATOM     17  S   LIG    1       -2.400  -3.375   1.496  0.00  0.00    -0.100 S 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.499  -3.101   0.069  0.00  0.00    +0.111 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -3.765   2.558  -1.293  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -3.736   1.093  -0.970  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1       -2.970   0.213  -1.742  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -2.911  -1.144  -1.419  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.605  -1.644  -0.309  0.00  0.00    -0.037 A 
ATOM     24  C   LIG    1       -4.364  -0.758   0.468  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.424   0.599   0.143  0.00  0.00    +0.003 A 
ENDBRANCH  18  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4