REMARK  Name = BDB033069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.633   0.515   1.468  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.671  -0.019   0.869  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.676   0.424   1.808  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.135   0.644   3.063  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.749   0.877   4.092  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.361   0.487   2.972  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.535   0.078  -1.144  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.212  -0.341  -0.213  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        1.827  -0.237   1.110  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.561  -0.301   1.805  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.537  -0.969  -0.467  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        4.246  -0.589  -1.613  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        5.487  -1.160  -1.878  0.00  0.00    +0.131 A 
ATOM     14  C   LIG    1        6.025  -2.118  -1.018  0.00  0.00    +0.059 A 
ATOM     15 BR   LIG    1        7.712  -2.904  -1.371  0.00  0.00    -0.047 Br
ATOM     16  C   LIG    1        5.316  -2.513   0.117  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        4.069  -1.941   0.393  0.00  0.00    +0.014 A 
BRANCH  13  18
ATOM     18  O   LIG    1        6.137  -0.741  -3.005  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        6.972  -1.240  -3.068  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -3.096   0.224   1.586  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.601   1.005   0.392  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -3.995   0.390  -0.819  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -4.441   1.201  -1.881  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -4.494   2.589  -1.755  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.105   3.192  -0.565  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.661   2.408   0.499  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.961  -1.110  -1.001  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -2.725  -1.641  -0.782  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -4.322  -1.523  -2.249  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.801  -1.756  -0.144  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6