REMARK  Name = BDB059845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.421   0.167  -0.065  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -0.631   1.097   0.667  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1        0.785   0.928   0.716  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1        1.547   1.889   1.424  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.959   2.969   2.082  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.415   3.119   2.055  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.379  -0.188   0.062  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        0.571  -1.092  -0.643  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.195   2.198   1.357  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.803  -0.916  -0.707  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -2.924   0.282  -0.208  0.00  0.00    +0.207 C 
BRANCH  11  12
ATOM     12  S   LIG    1       -3.730  -0.611   1.120  0.00  0.00    +0.001 S 
ATOM     13  O   LIG    1       -3.438  -2.028   0.999  0.00  0.00    -0.169 OA
ATOM     14  O   LIG    1       -3.537   0.088   2.377  0.00  0.00    -0.169 OA
BRANCH  12  18
ATOM     15  C   LIG    1       -8.152  -0.110   0.048  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -7.494   0.858   0.816  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -6.147   0.710   1.150  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -5.453  -0.412   0.697  0.00  0.00    +0.089 A 
ATOM     19  C   LIG    1       -6.099  -1.395  -0.057  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -7.450  -1.238  -0.385  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1      -10.200  -0.810  -0.939  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -9.468   0.163  -0.205  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  12  18
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   7  23
ATOM     23  C   LIG    1        2.865  -0.475   0.089  0.00  0.00    +0.207 C 
BRANCH  23  24
ATOM     24  S   LIG    1        3.662   0.318  -1.308  0.00  0.00    +0.001 S 
ATOM     25  O   LIG    1        3.667   1.757  -1.121  0.00  0.00    -0.169 OA
ATOM     26  O   LIG    1        3.183  -0.275  -2.543  0.00  0.00    -0.169 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.353  -0.219  -1.114  0.00  0.00    +0.089 A 
ATOM     28  C   LIG    1        6.257   0.581  -0.410  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        7.582   0.161  -0.262  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1        8.004  -1.048  -0.823  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1        7.090  -1.830  -1.538  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        5.765  -1.419  -1.693  0.00  0.00    +0.030 A 
BRANCH  30  33
ATOM     33  O   LIG    1        9.264  -1.572  -0.749  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       10.248  -0.794  -0.077  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 8