REMARK  Name = BDB032592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.528   0.998   3.099  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        0.997   0.644   3.928  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.469   0.213   2.552  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.735  -0.976   3.095  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.757  -1.515   2.335  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -2.108  -0.642   1.346  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -1.310   0.475   1.454  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.185  -1.058   0.454  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.636  -0.203  -0.564  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -4.667  -0.592  -1.425  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.261  -1.843  -1.282  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.827  -2.704  -0.279  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.797  -2.315   0.583  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        1.206   2.341   2.396  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        2.251   2.800   3.286  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.150   3.225   1.951  0.00  0.00    -0.150 OA
BRANCH  14  20
ATOM     17  C   LIG    1        3.296   0.592  -1.275  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        3.732   0.259   0.009  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.093   0.798   1.131  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        2.010   1.667   0.961  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1        1.576   2.018  -0.318  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        2.220   1.474  -1.430  0.00  0.00    +0.047 A 
BRANCH  17  24
ATOM     23  C   LIG    1        4.929  -0.760  -2.352  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        3.829   0.136  -2.449  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 5