REMARK  Name = BDB019332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.237  -0.451  -0.184  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.075   0.200   0.636  0.00  0.00    -0.237 NA
ATOM      3  C   LIG    1       -0.609   1.303   1.270  0.00  0.00    +0.151 A 
ATOM      4  C   LIG    1        0.673   1.794   1.122  0.00  0.00    +0.149 A 
ATOM      5  F   LIG    1        1.038   2.893   1.796  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        1.550   1.121   0.279  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        1.075  -0.018  -0.386  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        2.908   1.595   0.084  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        4.017   0.821  -0.158  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        4.482  -0.572  -0.321  0.00  0.00    +0.064 C 
ATOM     11  C   LIG    1        6.042  -0.438  -0.159  0.00  0.00    -0.010 C 
ATOM     12  C   LIG    1        6.357   1.058  -0.456  0.00  0.00    +0.150 C 
ATOM     13  C   LIG    1        6.779  -1.360  -1.133  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1        6.452  -0.786   1.283  0.00  0.00    +0.013 C 
ATOM     15  N   LIG    1        5.062   1.677  -0.249  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        4.776   2.960  -0.077  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        3.450   2.919   0.136  0.00  0.00    +0.143 A 
ENDBRANCH   6   8
BRANCH   1  19
ATOM     18  C   LIG    1       -1.780  -2.307  -0.941  0.00  0.00    +0.221 C 
ATOM     19  N   LIG    1       -0.628  -1.597  -0.876  0.00  0.00    -0.270 N 
ATOM     20  H   LIG    1        0.074  -2.030  -1.461  0.00  0.00    +0.156 HD
ATOM     21  O   LIG    1       -1.738  -3.317  -1.660  0.00  0.00    -0.275 OA
BRANCH  18  24
ATOM     22  C   LIG    1       -5.023  -0.360   0.053  0.00  0.00    +0.074 C 
ATOM     23  C   LIG    1       -3.726  -0.674  -0.702  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1       -3.081  -1.978  -0.220  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -2.987  -2.146   1.300  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -4.298  -1.796   1.996  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -4.816  -0.427   1.568  0.00  0.00    +0.022 C 
BRANCH  22  30
ATOM     28  C   LIG    1       -6.587   2.576  -1.774  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -6.260   1.136  -1.481  0.00  0.00    +0.210 C 
ATOM     30  N   LIG    1       -5.534   0.951  -0.325  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -5.099   1.762   0.095  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -6.610   0.226  -2.224  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 4