REMARK  Name = BDB021708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.356   1.371   1.136  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.571   0.727   0.885  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.472  -0.539   0.358  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.575  -0.790  -0.016  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.642   1.281   1.122  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.511  -1.459   0.111  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.173  -2.630  -0.586  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.139  -3.611  -0.870  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1       -5.446  -3.404  -0.444  0.00  0.00    +0.135 A 
ATOM     10  F   LIG    1       -6.387  -4.321  -0.699  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -5.798  -2.254   0.253  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -4.831  -1.285   0.532  0.00  0.00    +0.026 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.801  -4.866  -1.614  0.00  0.00    +0.420 C 
ATOM     14  F   LIG    1       -4.033  -5.994  -0.888  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.499  -5.005  -2.774  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.485  -4.929  -1.971  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.345  -0.566   0.326  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        1.784  -0.821   1.659  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.317  -0.399   1.806  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.017   0.838   0.950  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        0.408   0.649  -0.526  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        1.342  -0.546  -0.732  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        3.556  -1.361   0.057  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        3.264  -2.801  -0.395  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1        4.477  -0.670  -0.977  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.602   0.943   0.657  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        4.853   0.782  -0.656  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -1.442   2.769   1.579  0.00  0.00    +0.146 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.161   3.738   0.462  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -2.099   3.960  -0.542  0.00  0.00    +0.115 A 
ATOM     31  N   LIG    1       -1.911   4.802  -1.585  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1       -0.732   5.457  -1.631  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        0.268   5.308  -0.684  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        0.048   4.435   0.377  0.00  0.00    +0.008 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8