REMARK  Name = BDB050809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.254  -0.318  -1.081  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        2.690   0.712  -0.279  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.611   0.472   0.584  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.236   1.659   1.306  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        1.999   2.751   0.978  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.071  -0.837   0.626  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        1.624  -1.869  -0.129  0.00  0.00    +0.046 A 
ATOM      8  S   LIG    1        3.173   2.374  -0.193  0.00  0.00    -0.096 S 
ATOM      9  C   LIG    1        2.693  -1.608  -0.973  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        4.442  -0.122  -2.009  0.00  0.00    +0.079 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.770  -0.502  -1.333  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.858  -0.674  -2.394  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1        6.704  -0.776  -3.602  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.101  -0.776  -1.871  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1        8.683  -0.853  -2.655  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1        6.130   0.534  -0.414  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1        6.923   1.201   1.734  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        6.524   0.030   0.858  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  O   LIG    1        0.028  -1.151   1.475  0.00  0.00    -0.491 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.224  -0.900   0.819  0.00  0.00    +0.235 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.343  -1.180   1.817  0.00  0.00    +0.100 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.687  -1.015   1.214  0.00  0.00    +0.086 A 
ATOM     23  C   LIG    1       -4.620  -1.967   0.861  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1       -4.681  -3.437   0.924  0.00  0.00    +0.088 C 
ATOM     25  O   LIG    1       -5.701  -1.320   0.333  0.00  0.00    -0.440 OA
ATOM     26  C   LIG    1       -5.368   0.009   0.395  0.00  0.00    +0.228 A 
ATOM     27  N   LIG    1       -4.175   0.237   0.912  0.00  0.00    -0.214 NA
BRANCH  26  28
ATOM     28  C   LIG    1       -6.351   0.963  -0.112  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1       -7.588   0.552  -0.633  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -8.507   1.490  -1.113  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.203   2.849  -1.077  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.980   3.273  -0.562  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.061   2.336  -0.083  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 11