REMARK  Name = BDB042504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.391  -1.565   0.953  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.726  -0.427   1.825  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1        0.960   0.835   1.099  0.00  0.00    +0.089 C 
ATOM      4  C   LIG    1        2.196   0.811   0.180  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1        3.393   0.179   0.852  0.00  0.00    -0.042 C 
ATOM      6  C   LIG    1        3.235  -0.521   1.992  0.00  0.00    -0.008 C 
ATOM      7  C   LIG    1        1.902  -0.730   2.660  0.00  0.00    +0.112 C 
BRANCH   5   8
ATOM      8  C   LIG    1        4.720   0.351   0.226  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1        5.842   0.689   0.997  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        7.096   0.869   0.403  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        7.258   0.712  -0.980  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        6.137   0.389  -1.755  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.884   0.211  -1.158  0.00  0.00    +0.009 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.604   0.927  -1.625  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        8.796   2.221  -2.003  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.648   0.618  -0.805  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        8.784   0.178  -2.750  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.925  -1.408   0.177  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.133  -1.189   1.096  0.00  0.00    +0.054 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -5.555   2.679  -0.257  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.031   1.363  -0.810  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -5.323   0.158  -0.609  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -5.834  -1.036  -1.159  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -5.096  -2.307  -0.951  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1       -3.933  -2.227  -0.221  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.451  -3.108  -0.086  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.419  -1.071   0.315  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -5.499  -3.372  -1.406  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.021  -1.049  -1.894  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -7.703   0.141  -2.082  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -8.843   0.145  -2.785  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -4.066   0.094   0.153  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -7.224   1.335  -1.552  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6