REMARK  Name = BDB017265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.002   0.869   0.460  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.467   1.993   0.293  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.447   0.679   0.129  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.251  -0.264   0.782  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.607  -0.409   0.442  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.166   0.414  -0.565  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        5.521   0.267  -0.903  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        6.321  -0.682  -0.257  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        5.769  -1.492   0.737  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        3.356   1.364  -1.202  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.422  -1.356   1.084  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.010   1.498  -0.855  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1        7.702  -0.821  -0.613  0.00  0.00    +0.099 C 
ATOM     14  N   LIG    1        8.820  -0.935  -0.902  0.00  0.00    -0.191 NA
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  C   LIG    1       -0.911  -2.833   0.970  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -0.794  -1.555   0.129  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -0.810  -0.302   1.033  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1       -2.244   0.110   1.446  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -3.318   0.051   0.436  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -3.267  -1.188  -0.345  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -1.892  -1.488  -0.937  0.00  0.00    +0.019 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.323   1.234  -0.438  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1       -3.766   2.494   0.359  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -4.638   2.859  -0.859  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -4.697   1.347  -1.161  0.00  0.00    +0.019 C 
ENDBRANCH  19  22
ENDBRANCH   1  17
TORSDOF 4