REMARK  Name = BDB032591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.413   1.920   1.751  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.374   2.891   1.459  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.599   1.037   1.419  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.598  -0.266   1.696  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.779  -0.764   1.182  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.487   0.241   0.591  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        1.767   1.407   0.719  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.768  -0.122  -0.007  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.554   0.846  -0.651  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        5.782   0.508  -1.228  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.244  -0.804  -1.168  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.479  -1.778  -0.533  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.251  -1.440   0.043  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -1.788   1.520   2.605  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -1.425   0.840   3.829  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.580   2.734   2.648  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1       -4.013   0.009  -0.417  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1       -3.326   0.884   0.426  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -2.632   0.387   1.533  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -2.638  -0.978   1.823  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -3.323  -1.851   0.981  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.007  -1.360  -0.137  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -5.397  -0.229  -2.336  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -4.642   0.612  -1.472  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 5