REMARK  Name = BDB032584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.424   0.725   0.764  0.00  0.00    +0.074 S 
ATOM      2  O   LIG    1        0.728   2.079   0.353  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.813   0.235   2.070  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -4.106   0.096   0.321  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -3.346  -0.682   1.213  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -1.967  -0.493   1.352  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -1.325   0.481   0.589  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1       -2.049   1.279  -0.294  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -3.426   1.081  -0.425  0.00  0.00    +0.006 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -6.224  -1.210   1.026  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1       -5.626  -0.087   0.149  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -6.352   1.222   0.526  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -5.943  -0.439  -1.321  0.00  0.00    +0.015 C 
ENDBRANCH   4  11
ENDBRANCH   1   7
BRANCH   1  14
ATOM     14  N   LIG    1        1.008  -0.321  -0.389  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1        0.356  -0.868  -0.944  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.354  -0.496  -0.644  0.00  0.00    +0.181 A 
ATOM     17  N   LIG    1        2.739  -1.357  -1.588  0.00  0.00    -0.061 NA
ATOM     18  O   LIG    1        4.122  -1.304  -1.599  0.00  0.00    -0.353 OA
ATOM     19  C   LIG    1        4.559  -0.411  -0.662  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        3.460   0.125  -0.031  0.00  0.00    +0.097 A 
BRANCH  19  21
ATOM     21  C   LIG    1        6.003  -0.236  -0.545  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.537   0.661   0.393  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        7.918   0.838   0.513  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        8.788   0.119  -0.302  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        8.277  -0.776  -1.239  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.895  -0.952  -1.359  0.00  0.00    +0.011 A 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5