REMARK  Name = BDB006119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.831   0.462  -0.626  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1        0.971  -0.183   0.257  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.249   0.413   0.020  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.673   0.442   0.433  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -2.211   1.547  -0.405  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1       -1.218   2.168  -1.205  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1       -1.296   3.159  -1.911  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.016   1.409  -0.926  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        1.246   1.461  -1.333  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -3.581   1.935  -0.367  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -4.227   2.504  -1.478  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1       -3.600   2.585  -2.661  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -5.570   2.888  -1.411  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1       -6.359   3.568  -2.784  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -6.298   2.701  -0.239  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.685   2.112   0.863  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -4.341   1.726   0.797  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1       -2.273  -0.912   0.102  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1       -2.371  -1.389  -1.221  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -2.946  -2.632  -1.492  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -3.433  -3.405  -0.446  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1       -3.985  -4.597  -0.706  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.359  -2.957   0.866  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -2.784  -1.714   1.141  0.00  0.00    +0.008 A 
ENDBRANCH   4  18
BRANCH   2  25
ATOM     25  C   LIG    1        1.414  -1.264   1.203  0.00  0.00    +0.032 C 
ATOM     26  C   LIG    1        0.824  -1.077   2.601  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1        1.089  -2.650   0.649  0.00  0.00    +0.014 C 
ENDBRANCH   2  25
BRANCH   1  28
ATOM     28  C   LIG    1        3.246   0.198  -0.857  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.135   1.036   0.064  0.00  0.00    +0.026 C 
BRANCH  29  31
ATOM     30  C   LIG    1        6.169   1.081  -1.472  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        5.645   0.770  -0.070  0.00  0.00    -0.015 C 
ATOM     32  C   LIG    1        6.020  -0.655   0.338  0.00  0.00    +0.007 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 6