REMARK  Name = BDB042550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.784  -0.099   0.454  0.00  0.00    -0.041 C 
ATOM      2  C   LIG    1        2.508   0.519   0.961  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1        1.373  -0.503   1.057  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1        1.314  -1.367  -0.124  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        0.132  -1.869  -0.661  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.126  -2.809  -1.458  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.535  -2.094  -0.456  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1        3.770  -1.293  -0.166  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        7.093   1.616  -0.223  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        5.889   0.925  -0.417  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        5.051   0.622   0.669  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        5.440   1.024   1.951  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        6.638   1.709   2.133  0.00  0.00    +0.125 A 
ATOM     14  F   LIG    1        6.998   2.084   3.367  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        7.469   2.010   1.061  0.00  0.00    +0.057 A 
BRANCH   9  17
ATOM     16  N   LIG    1        8.617   2.164  -2.249  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        7.935   1.919  -1.342  0.00  0.00    +0.099 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  C   LIG    1       -1.162  -1.198  -0.233  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.370  -1.769  -0.979  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.649  -1.073  -0.585  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -4.167  -1.369   0.655  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -3.701  -2.041   1.255  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -5.324  -0.834   1.178  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1       -5.728  -1.135   2.295  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -6.052   0.127   0.316  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.530   0.425  -0.954  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1       -6.210   1.329  -1.778  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -7.393   1.924  -1.331  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -7.891   1.615  -0.069  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -9.026   2.192   0.348  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -7.234   0.720   0.764  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1       -4.287  -0.213  -1.396  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5