REMARK  Name = BDB017256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.047   0.729   1.041  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.449   1.511   1.904  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.192  -0.584  -0.518  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.635   0.312   0.395  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.239   0.410   0.549  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.391  -0.408  -0.230  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.995  -0.311  -0.078  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.431   0.588   0.836  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.280   1.393   1.605  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.963  -1.304  -1.145  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.667   1.306   1.463  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.350  -1.389  -1.284  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.432   0.031  -0.005  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.527  -0.769  -0.755  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.018  -0.076   0.182  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -2.385  -0.179   0.887  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -3.336  -0.941   0.062  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.554  -0.291  -1.235  0.00  0.00    +0.115 C 
ATOM     19  C   LIG    1       -2.236  -0.158  -2.018  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1       -1.183   0.579  -1.192  0.00  0.00    +0.045 C 
BRANCH  19  21
ATOM     21  O   LIG    1       -2.439   0.561  -3.232  0.00  0.00    -0.391 OA
ATOM     22  H   LIG    1       -3.090   0.066  -3.759  0.00  0.00    +0.210 HD
ENDBRANCH  19  21
BRANCH  17  23
ATOM     23  C   LIG    1       -4.583  -1.261   0.764  0.00  0.00    +0.088 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.445  -0.085   1.118  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -6.521   0.413   0.183  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.902  -0.305   1.446  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  15
TORSDOF 6