REMARK  Name = BDB007286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.329   2.520   0.065  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -0.282   1.591   0.143  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.544   0.213   0.206  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.895  -0.216   0.190  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.131  -1.657   0.235  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.107  -2.577   0.280  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        0.287  -2.152   0.292  0.00  0.00    +0.260 A 
ATOM      8  O   LIG    1        1.192  -2.984   0.310  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -1.600  -3.920   0.308  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -2.976  -3.967   0.287  0.00  0.00    +0.046 A 
ATOM     11  S   LIG    1       -3.664  -2.403   0.231  0.00  0.00    -0.096 S 
ATOM     12  C   LIG    1       -2.936   0.728   0.133  0.00  0.00    +0.012 A 
ATOM     13  N   LIG    1        0.522  -0.760   0.285  0.00  0.00    -0.307 N 
ATOM     14  C   LIG    1       -2.656   2.093   0.077  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  16
ATOM     15  O   LIG    1       -0.071   4.442   0.659  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -0.983   3.958   0.012  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.746   4.658  -0.852  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -2.316   4.118  -1.431  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH  13  19
ATOM     19  C   LIG    1        1.924  -0.338   0.301  0.00  0.00    +0.127 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.477  -0.127  -1.107  0.00  0.00    +0.049 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.944   0.272  -1.071  0.00  0.00    +0.157 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.386   0.506  -2.401  0.00  0.00    -0.395 OA
ATOM     23  H   LIG    1        5.333   0.727  -2.355  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 6