REMARK  Name = BDB057963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.106  -0.601   0.636  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.961  -0.481  -0.260  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.795  -1.580  -0.512  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.522  -2.797   0.135  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.469  -2.904   1.047  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.342  -1.802   1.309  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.577   0.003  -1.839  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.876  -0.416  -0.397  0.00  0.00    +0.141 C 
ATOM      9  N   LIG    1       -2.301   0.545   0.575  0.00  0.00    -0.286 N 
ATOM     10  C   LIG    1       -0.946   0.582   0.909  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -0.405   1.547   1.441  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.099   1.743   0.862  0.00  0.00    +0.130 C 
ATOM     13  C   LIG    1       -4.476   1.371   1.405  0.00  0.00    +0.144 C 
ATOM     14  N   LIG    1       -5.068   0.308   0.625  0.00  0.00    -0.305 N 
ATOM     15  C   LIG    1       -6.372  -0.102   0.578  0.00  0.00    +0.238 A 
ATOM     16  N   LIG    1       -6.445  -1.142  -0.234  0.00  0.00    -0.125 NA
ATOM     17  N   LIG    1       -5.181  -1.415  -0.705  0.00  0.00    -0.132 NA
ATOM     18  C   LIG    1       -4.354  -0.537  -0.182  0.00  0.00    +0.154 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -7.461   0.554   1.338  0.00  0.00    +0.452 C 
ATOM     20  F   LIG    1       -8.652  -0.086   1.250  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1       -7.662   1.831   0.914  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1       -7.157   0.642   2.662  0.00  0.00    -0.163 F 
ENDBRANCH  15  19
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1        2.935  -1.493  -1.503  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.732  -0.198  -1.425  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        4.688   0.023  -0.310  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.381   1.232  -0.298  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        6.301   1.518   0.719  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.527   0.586   1.730  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.837  -0.625   1.725  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.138   2.211  -1.369  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        5.731   3.284  -1.404  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        4.218   1.848  -2.321  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        4.037   2.512  -3.068  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        4.919  -0.910   0.708  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        3.525   0.679  -2.364  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 4