REMARK  Name = BDB023350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.011   0.408   0.408  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -0.373  -0.171  -0.805  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        0.335  -0.433  -1.485  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.781   0.737   1.278  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.849   1.185   1.686  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1        3.592   0.874   1.128  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        3.537   0.287  -0.128  0.00  0.00    +0.140 A 
ATOM      8  O   LIG    1        2.244   0.067  -0.497  0.00  0.00    -0.450 OA
ATOM      9  C   LIG    1        1.447   0.518   0.526  0.00  0.00    +0.192 A 
ATOM     10  C   LIG    1        4.653  -0.029  -0.896  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        5.904   0.264  -0.338  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        7.155  -0.018  -1.122  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        2.239   1.018   1.542  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        5.993   0.873   0.927  0.00  0.00    +0.049 A 
BRANCH   5  16
ATOM     15  C   LIG    1        6.113   2.127   3.472  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        4.851   1.767   2.923  0.00  0.00    -0.494 OA
ENDBRANCH   5  16
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  S   LIG    1       -1.925  -0.186  -1.385  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1       -1.829  -0.803  -2.693  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.446   1.150  -1.216  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.805  -1.336  -0.350  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -4.207  -1.265  -0.229  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -4.838  -2.179   0.638  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.109  -3.139   1.344  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.730  -3.214   1.191  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.077  -2.319   0.344  0.00  0.00    +0.029 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -5.055  -0.331  -0.982  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -5.306  -0.532  -2.348  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -6.128   0.346  -3.060  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.713   1.432  -2.414  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.477   1.644  -1.057  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.655   0.767  -0.345  0.00  0.00    +0.008 A 
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 5