REMARK  Name = BDB012705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.476  -0.292  -0.362  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.117  -0.848  -1.627  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.230  -0.530  -1.799  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.954  -0.897  -2.945  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.274  -1.616  -3.932  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.066  -1.945  -3.772  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.687  -2.636  -4.737  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.578   0.160  -0.662  0.00  0.00    -0.257 N 
ATOM      9  C   LIG    1       -0.782  -1.575  -2.635  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.565   0.317   0.207  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.875   0.719  -0.366  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1        3.024   2.159  -0.819  0.00  0.00    +0.186 C 
ATOM     13  O   LIG    1        4.119   2.712  -0.066  0.00  0.00    -0.378 OA
ATOM     14  C   LIG    1        4.388   1.839   1.042  0.00  0.00    +0.162 C 
ATOM     15  C   LIG    1        3.264   0.826   1.098  0.00  0.00    +0.057 C 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.726  -0.416   0.146  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1       -2.418  -0.897  -0.436  0.00  0.00    +0.154 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -3.597  -0.274   1.734  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -2.330   0.154   1.291  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1       -1.718   1.108   2.100  0.00  0.00    +0.134 A 
ATOM     21  N   LIG    1       -2.273   1.663   3.211  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1       -3.510   1.261   3.552  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.211   0.300   2.854  0.00  0.00    +0.036 A 
BRANCH  18  25
ATOM     24  O   LIG    1       -4.252  -1.422  -0.237  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1       -4.311  -1.331   0.979  0.00  0.00    +0.339 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -4.972  -2.210   1.759  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -4.754  -2.165   2.709  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5