REMARK  Name = BDB023029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.982  -0.983  -1.263  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        3.390  -2.140  -0.621  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        2.358  -2.554   0.089  0.00  0.00    +0.157 A 
ATOM      4  N   LIG    1        1.274  -1.716  -0.076  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.029  -1.929   0.560  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.117  -2.951   1.361  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.963  -3.791   1.541  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        2.167  -3.655   0.959  0.00  0.00    +0.079 A 
ATOM      9 BR   LIG    1        3.572  -4.839   1.252  0.00  0.00    -0.045 Br
ATOM     10  C   LIG    1        1.668  -0.709  -0.925  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        3.850  -0.201  -2.148  0.00  0.00    +0.359 C 
ATOM     12  O   LIG    1        5.013  -0.492  -2.401  0.00  0.00    -0.243 OA
BRANCH  11  13
ATOM     13  O   LIG    1        3.207   0.896  -2.658  0.00  0.00    -0.460 OA
BRANCH  13  15
ATOM     14  C   LIG    1        4.776   2.739  -2.740  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        3.986   1.720  -3.538  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   5  16
ATOM     16  N   LIG    1       -0.998  -1.041   0.315  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -0.956  -0.521  -0.554  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.356  -1.335   0.738  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.206  -0.104   0.575  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -3.343   0.890   1.572  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -4.147   1.998   1.318  0.00  0.00    +0.135 A 
ATOM     22  O   LIG    1       -4.154   2.835   2.391  0.00  0.00    -0.463 OA
ATOM     23  C   LIG    1       -3.354   2.277   3.336  0.00  0.00    +0.196 A 
ATOM     24  C   LIG    1       -4.840   2.213   0.130  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -4.693   1.237  -0.856  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -2.831   1.088   2.885  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -3.894   0.115  -0.634  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.773  -0.782  -1.624  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 6