REMARK  Name = BDB021996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.226  -0.548   1.162  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1        0.238  -0.889   2.289  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1       -1.053  -0.085   2.161  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -1.760  -0.393   0.911  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1       -0.869  -0.573  -0.245  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.512   0.049  -0.059  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.226   0.385   1.679  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        1.889   1.301   1.951  0.00  0.00    +0.149 HD
BRANCH   7  11
ATOM      9  C   LIG    1        4.985  -0.137  -0.559  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        3.859  -0.393   0.157  0.00  0.00    -0.211 NA
ATOM     11  C   LIG    1        3.364   0.587   0.920  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        3.908   1.806   1.009  0.00  0.00    -0.223 NA
ATOM     13  C   LIG    1        5.026   2.034   0.299  0.00  0.00    +0.116 A 
ATOM     14  C   LIG    1        5.616   1.092  -0.505  0.00  0.00    +0.052 A 
BRANCH   9  16
ATOM     15  F   LIG    1        6.639  -1.857  -0.802  0.00  0.00    -0.164 F 
ATOM     16  C   LIG    1        5.586  -1.240  -1.411  0.00  0.00    +0.434 C 
ATOM     17  F   LIG    1        4.710  -2.229  -1.746  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        6.078  -0.771  -2.598  0.00  0.00    -0.164 F 
ENDBRANCH   9  16
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -2.832   0.587   0.668  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.856   0.124  -0.349  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1       -4.484  -1.123  -0.215  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -5.444  -1.539  -1.140  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.792  -0.709  -2.204  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.181   0.537  -2.343  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.221   0.953  -1.419  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5