REMARK  Name = BDB032606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.511  -1.888  -2.240  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.585  -2.082  -3.235  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.570  -1.143  -1.806  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        1.436  -0.665  -2.701  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        2.379   0.036  -1.971  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.076  -0.028  -0.641  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        0.928  -0.773  -0.496  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        2.981   0.662   0.272  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.085   1.389  -0.200  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        4.944   2.048   0.684  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.713   1.990   2.055  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.623   1.273   2.543  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.764   0.615   1.659  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -1.782  -2.394  -1.294  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -2.702  -3.088  -2.169  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -1.222  -3.035  -0.124  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1       -2.997  -1.654   1.594  0.00  0.00    +0.046 C 
ATOM     18  C   LIG    1       -3.060  -0.638   0.489  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1       -2.586  -0.869  -0.816  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -2.723   0.120  -1.807  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -3.296   1.352  -1.499  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.739   1.603  -0.205  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.624   0.618   0.778  0.00  0.00    +0.005 A 
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 4