REMARK  Name = BDB058300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.890   0.224  -0.209  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        2.256  -1.734   0.096  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1        2.204  -0.539  -0.167  0.00  0.00    +0.218 C 
ATOM      4  N   LIG    1        3.280   0.294  -0.437  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        3.060   1.262  -0.638  0.00  0.00    +0.155 HD
BRANCH   4   6
ATOM      6  C   LIG    1        4.647  -0.050  -0.476  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        5.555   0.974  -0.780  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        6.924   0.707  -0.836  0.00  0.00    +0.020 A 
ATOM      9 BR   LIG    1        8.134   2.101  -1.248  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        7.408  -0.575  -0.592  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        6.511  -1.596  -0.289  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        5.137  -1.335  -0.232  0.00  0.00    +0.023 A 
ENDBRANCH   4   6
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1       -0.307  -0.715  -0.055  0.00  0.00    +0.094 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -1.592  -0.001  -0.186  0.00  0.00    -0.297 NA
ATOM     15  C   LIG    1       -2.674  -0.977  -0.447  0.00  0.00    +0.119 C 
ATOM     16  C   LIG    1       -4.061  -0.369  -0.449  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -4.312   0.860   0.186  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -5.610   1.387   0.198  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -6.660   0.686  -0.394  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -6.420  -0.542  -1.007  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.172   1.634   0.794  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -5.128  -1.069  -1.032  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -1.925   0.768   1.026  0.00  0.00    +0.089 C 
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4