REMARK  Name = BDB018370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.497  -0.123   0.019  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -1.179  -0.779  -0.027  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.159  -2.127  -0.099  0.00  0.00    +0.101 A 
ATOM      4  N   LIG    1       -2.309  -2.898  -0.124  0.00  0.00    -0.317 N 
ATOM      5  C   LIG    1       -2.173  -4.345  -0.189  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -3.575  -2.336  -0.066  0.00  0.00    +0.255 A 
ATOM      7  O   LIG    1       -4.630  -2.965  -0.071  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.623  -0.856   0.003  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.051  -0.034   0.012  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.191  -0.290  -0.721  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        2.099   0.665  -0.358  0.00  0.00    -0.270 N 
ATOM     12  N   LIG    1        1.636   1.516   0.579  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        0.386   1.094   0.794  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        3.454   0.820  -0.870  0.00  0.00    +0.153 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.462   0.244   0.070  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        5.864   0.711  -0.023  0.00  0.00    +0.254 C 
ATOM     17  F   LIG    1        6.896  -0.191   0.075  0.00  0.00    -0.205 F 
ATOM     18  F   LIG    1        6.226   1.656  -0.953  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        5.075   1.088   1.173  0.00  0.00    +0.087 C 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   2   9
BRANCH   1  20
ATOM     20  O   LIG    1       -2.445   1.255   0.056  0.00  0.00    -0.491 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -3.332   3.465   0.103  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -3.670   1.986   0.068  0.00  0.00    +0.226 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5