REMARK  Name = BDB053071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.957   0.763   3.677  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.516   0.186   2.701  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.526   0.590   1.383  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.205  -0.323   0.496  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.511  -1.471   1.449  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.052  -2.729   1.210  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -1.222  -3.603   2.291  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.841  -3.227   3.591  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.271  -1.976   3.826  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.116  -1.131   2.741  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.654  -0.736  -0.708  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.797  -1.545  -0.534  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.610  -1.892  -1.617  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.297  -1.432  -2.892  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        3.302  -1.849  -4.224  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.181  -0.626  -3.092  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.371  -0.275  -2.007  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        1.026   1.885   0.960  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.440   1.824   0.428  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.497   1.412   1.255  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.798   1.325   0.756  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        5.051   1.656  -0.573  0.00  0.00    +0.018 A 
ATOM     23 BR   LIG    1        6.808   1.523  -1.256  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1        4.018   2.085  -1.403  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        2.718   2.174  -0.901  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  26
ATOM     26  O   LIG    1       -1.369   0.423   0.116  0.00  0.00    -0.347 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.535  -0.311  -0.233  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.545   0.643  -0.839  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -4.623   0.039  -1.722  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -3.526   0.859  -2.341  0.00  0.00    +0.012 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -3.898   1.805   0.068  0.00  0.00    +0.165 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -4.955   2.587  -0.478  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -5.100   3.324   0.138  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8