REMARK  Name = BDB009000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.997   0.285   0.781  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -3.200  -0.469   1.958  0.00  0.00    -0.125 N 
ATOM      3  O   LIG    1       -4.358  -0.832   2.367  0.00  0.00    -0.163 OA
ATOM      4  C   LIG    1       -2.102  -0.862   2.720  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1       -0.797  -0.542   2.369  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.568   0.196   1.214  0.00  0.00    -0.037 A 
ATOM      7  C   LIG    1       -1.664   0.599   0.434  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -2.991   1.482  -2.012  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.987   1.247  -1.344  0.00  0.00    +0.221 C 
ATOM     10  N   LIG    1       -4.082   0.735  -0.045  0.00  0.00    -0.255 N 
ATOM     11  C   LIG    1       -5.466   0.550   0.333  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1       -6.235   1.442  -0.622  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1       -5.389   1.425  -1.878  0.00  0.00    +0.098 C 
ENDBRANCH   1  10
BRANCH   6  14
ATOM     14  C   LIG    1        0.843   0.539   0.787  0.00  0.00    +0.092 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.626  -0.604   0.141  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1        3.075  -0.373  -0.166  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        3.712   0.959   0.115  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1        5.083   1.128  -0.547  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        5.925  -0.133  -0.401  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.223  -1.338  -1.030  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        3.757  -1.400  -0.701  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.064  -2.679  -0.995  0.00  0.00    +0.268 A 
ATOM     23  O   LIG    1        3.652  -3.633  -1.494  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1        1.735  -2.725  -0.675  0.00  0.00    -0.243 N 
ATOM     25  H   LIG    1        1.239  -3.587  -0.875  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1        1.011  -1.722  -0.112  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   6  14
TORSDOF 3