REMARK  Name = BDB032608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.678   1.986  -0.528  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -1.311   3.293  -0.487  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.190   1.645  -1.633  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -4.377   0.323  -0.489  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -3.313   1.231  -0.532  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -1.986   0.779  -0.447  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -1.701  -0.586  -0.327  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -2.769  -1.488  -0.270  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.092  -1.039  -0.349  0.00  0.00    +0.007 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -6.358   1.139   0.814  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.802   0.806  -0.562  0.00  0.00    +0.032 C 
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  O   LIG    1       -0.392  -0.957  -0.235  0.00  0.00    -0.493 OA
ATOM     13  C   LIG    1       -0.071  -2.325  -0.450  0.00  0.00    +0.277 C 
ENDBRANCH   7  12
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  N   LIG    1        0.061   1.850   0.960  0.00  0.00    -0.181 N 
ATOM     15  H   LIG    1       -0.209   2.600   1.589  0.00  0.00    +0.177 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.380   1.482   1.097  0.00  0.00    +0.275 A 
ATOM     17  N   LIG    1        2.066   0.659   0.259  0.00  0.00    -0.173 NA
ATOM     18  C   LIG    1        3.251   0.590   0.819  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        3.332   1.314   1.975  0.00  0.00    -0.331 OA
ATOM     20  N   LIG    1        2.079   1.899   2.160  0.00  0.00    -0.038 NA
BRANCH  18  21
ATOM     21  C   LIG    1        4.442  -0.132   0.391  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        5.615  -0.162   1.161  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        6.739  -0.867   0.719  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.703  -1.550  -0.495  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.547  -1.528  -1.271  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.424  -0.825  -0.830  0.00  0.00    +0.013 A 
ENDBRANCH  18  21
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6