REMARK  Name = BDB008473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.620  -0.750   0.741  0.00  0.00    +0.236 C 
ATOM      2  N   LIG    1       -1.279  -0.359   0.670  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.365  -1.137   1.515  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.024  -0.931   1.041  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        1.486   0.108   0.267  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.606   1.139  -0.179  0.00  0.00    +0.088 A 
ATOM      7  N   LIG    1        0.948   2.156  -0.905  0.00  0.00    -0.174 NA
ATOM      8  N   LIG    1        2.182   2.448  -1.405  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        2.180   3.306  -1.953  0.00  0.00    +0.192 HD
ATOM     10  C   LIG    1        3.446   1.896  -1.368  0.00  0.00    +0.273 A 
ATOM     11  C   LIG    1        3.802   0.656  -0.661  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        5.126   0.181  -0.688  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        5.466  -0.991  -0.023  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        4.529  -1.739   0.688  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        3.218  -1.255   0.706  0.00  0.00    +0.051 A 
ATOM     16  F   LIG    1        6.736  -1.419  -0.066  0.00  0.00    -0.205 F 
ATOM     17  O   LIG    1        4.346   2.488  -1.973  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        2.852  -0.077   0.046  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1        2.082  -1.759   1.306  0.00  0.00    -0.356 N 
ATOM     20  H   LIG    1        2.045  -2.614   1.848  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1       -0.853   1.016   0.300  0.00  0.00    +0.166 C 
ATOM     22  O   LIG    1       -2.941  -1.724   1.435  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1       -5.101  -0.605   0.223  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.718   0.004  -0.084  0.00  0.00    +0.088 C 
ATOM     25  C   LIG    1       -3.457  -0.140  -1.589  0.00  0.00    +0.037 C 
BRANCH  24  26
ATOM     26  N   LIG    1       -3.774   1.429   0.317  0.00  0.00    -0.318 NA
ATOM     27  H   LIG    1       -4.070   1.482   1.294  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -4.508   1.897  -0.216  0.00  0.00    +0.119 HD
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 2