REMARK  Name = BDB063043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.694   0.473   0.752  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.635   0.157   1.060  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.681   1.003   0.657  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1        1.389   2.192  -0.025  0.00  0.00    +0.030 A 
ATOM      5 BR   LIG    1        2.712   3.452  -0.542  0.00  0.00    -0.050 Br
ATOM      6  C   LIG    1        0.059   2.515  -0.316  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -0.979   1.661   0.069  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.575  -1.221   2.135  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.767  -0.462   1.193  0.00  0.00    +0.244 C 
ATOM     10  N   LIG    1       -2.936  -0.441   0.467  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1       -2.958   0.006  -0.438  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -3.990  -1.387   0.756  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.220  -1.068  -0.050  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -5.474  -1.731  -1.259  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -6.601  -1.410  -2.018  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.479  -0.420  -1.580  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.231   0.252  -0.384  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.105  -0.068   0.376  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1        3.055   0.568   1.014  0.00  0.00    +0.249 C 
ATOM     20  N   LIG    1        3.940   0.518  -0.045  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        3.593   0.814  -0.949  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        3.265   0.249   2.177  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.295   0.125  -0.013  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        5.956  -0.306   1.137  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        7.303  -0.678   1.083  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        8.000  -0.622  -0.122  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.350  -0.193  -1.275  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.004   0.178  -1.221  0.00  0.00    +0.023 A 
ENDBRANCH  20  23
ENDBRANCH   3  19
TORSDOF 5