REMARK  Name = BDB045866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.862  -0.744   0.084  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        0.687  -2.091   0.318  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -0.681  -2.317   0.170  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.253  -3.583   0.324  0.00  0.00    +0.093 A 
ATOM      5  C   LIG    1       -0.472  -4.631   0.634  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.955  -4.420   0.810  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.253  -1.094  -0.139  0.00  0.00    +0.187 A 
ATOM      8  C   LIG    1        1.511  -3.203   0.660  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -0.337  -0.138  -0.190  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.512   1.436   0.127  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.437   1.860   0.911  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.247   1.135   0.888  0.00  0.00    +0.133 A 
ATOM     13  F   LIG    1        1.236   1.565   1.657  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        2.113  -0.019   0.108  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        3.203  -0.444  -0.665  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        4.402   0.277  -0.650  0.00  0.00    +0.016 A 
BRANCH  10  18
ATOM     17  O   LIG    1        6.878   1.603   0.102  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        5.798   2.166   0.124  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        5.650   3.507   0.103  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        4.740   3.823  -0.049  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   7  21
ATOM     21  C   LIG    1       -2.660  -0.834  -0.365  0.00  0.00    +0.230 C 
ATOM     22  O   LIG    1       -3.575  -1.643  -0.230  0.00  0.00    -0.283 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.047   0.540  -0.748  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -3.704   1.361   0.191  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -4.083   2.658  -0.199  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -3.811   3.126  -1.485  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.168   2.300  -2.406  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -2.791   1.005  -2.045  0.00  0.00    +0.052 A 
ATOM     29 CL   LIG    1       -2.056   0.018  -3.260  0.00  0.00    -0.083 Cl
BRANCH  24  30
ATOM     30  C   LIG    1       -4.030   0.867   1.577  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -4.271   1.886   2.452  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -5.147   0.092   1.608  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -3.034   0.136   2.146  0.00  0.00    -0.166 F 
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 6