REMARK  Name = BDB017596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.037  -0.859   2.133  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.406  -0.651   1.521  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1        2.020   0.607   1.546  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        3.288   0.782   0.983  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        3.972  -0.280   0.370  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        5.306  -0.019  -0.224  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1        5.959  -1.036  -0.918  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        5.321  -1.692  -1.359  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        7.131  -0.746  -1.737  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1        8.019   0.258  -1.012  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        7.227   1.518  -0.644  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.861   1.203  -0.093  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        5.139   2.315   0.580  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.630   3.434   0.693  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        3.360  -1.541   0.370  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.889   2.042   1.057  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.417   2.812   1.509  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        2.092  -1.723   0.935  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1       -3.707  -0.408   0.343  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1       -3.372  -0.685   1.747  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -2.226  -1.719   1.836  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -0.967  -1.326   1.165  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -1.221  -0.311   0.113  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -2.579  -0.468  -0.613  0.00  0.00    +0.120 C 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.409   0.252  -1.316  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -4.858   0.289  -0.013  0.00  0.00    +0.072 A 
ATOM     27  C   LIG    1       -5.556   1.070   0.926  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -6.696   1.811   0.580  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -7.178   1.790  -0.728  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1       -6.530   1.009  -1.680  0.00  0.00    +0.066 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -5.356  -1.864  -2.204  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.865  -0.526  -2.314  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
BRANCH  29  33
ATOM     33  C   LIG    1       -8.335   2.557  -1.086  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1       -9.274   3.177  -1.370  0.00  0.00    -0.191 NA
ENDBRANCH  29  33
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 5