REMARK  Name = BDB045654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.937   0.051   0.861  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        1.434   1.152   1.561  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.271   2.076   2.063  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.064   1.330   1.759  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.859   0.402   1.257  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1       -0.359  -0.707   0.556  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.018  -0.879   0.360  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        6.340  -1.709  -0.548  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        5.278  -0.967   0.007  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1        5.577   0.174   0.750  0.00  0.00    +0.070 A 
ATOM     11  N   LIG    1        4.357   0.660   1.143  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1        4.192   1.481   1.709  0.00  0.00    +0.167 HD
ATOM     13  C   LIG    1        3.369  -0.155   0.639  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        6.880   0.625   0.977  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1        7.907  -0.133   0.415  0.00  0.00    +0.126 A 
ATOM     16  F   LIG    1        9.175   0.255   0.607  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1        3.913  -1.133  -0.061  0.00  0.00    -0.227 NA
ATOM     18  C   LIG    1        7.660  -1.278  -0.333  0.00  0.00    +0.053 A 
BRANCH   8  22
ATOM     19  N   LIG    1        6.844  -3.123  -2.441  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        7.354  -2.364  -2.869  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        6.568  -3.895  -3.035  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1        6.072  -2.936  -1.324  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        5.224  -3.756  -1.006  0.00  0.00    -0.270 OA
ENDBRANCH   8  22
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1       -2.306   0.586   1.456  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -3.195   0.568   0.365  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -4.577   0.746   0.536  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1       -5.076   0.943   1.822  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.211   0.963   2.919  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -2.839   0.787   2.737  0.00  0.00    +0.008 A 
BRANCH  26  30
ATOM     30  N   LIG    1       -5.378   0.712  -0.625  0.00  0.00    -0.285 N 
ATOM     31  H   LIG    1       -4.887   0.557  -1.493  0.00  0.00    +0.155 HD
ATOM     32  C   LIG    1       -6.746   0.867  -0.711  0.00  0.00    +0.220 C 
ATOM     33  O   LIG    1       -7.520   1.068   0.214  0.00  0.00    -0.275 OA
BRANCH  32  34
ATOM     34  C   LIG    1       -7.324   0.778  -2.090  0.00  0.00    +0.075 C 
ATOM     35  C   LIG    1       -6.789  -0.166  -3.142  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -6.614   1.317  -3.311  0.00  0.00    +0.013 C 
ENDBRANCH  32  34
ENDBRANCH  26  30
ENDBRANCH   5  24
TORSDOF 5