REMARK  Name = BDB058083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.341   0.423   1.831  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.952  -0.071   1.539  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -1.682  -0.997   0.517  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -0.389  -1.517   0.344  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -0.074  -2.568  -0.681  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.658  -1.005   1.124  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.430  -0.024   2.099  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1       -0.883   0.423   2.306  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -2.701  -1.475  -0.262  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -3.021  -0.725  -1.466  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -2.192   0.534  -1.763  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -2.917  -1.702  -2.645  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.510  -0.347  -1.354  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -5.070   0.513  -2.017  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.182  -1.109  -0.451  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -4.549  -1.716  -0.005  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        1.575   0.537   2.907  0.00  0.00    +0.075 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.948   1.823   2.264  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.673   2.061   1.111  0.00  0.00    +0.171 A 
ATOM     20  O   LIG    1        2.741   3.404   0.888  0.00  0.00    -0.354 OA
ATOM     21  N   LIG    1        2.079   4.079   1.900  0.00  0.00    -0.086 NA
ATOM     22  C   LIG    1        1.614   3.126   2.708  0.00  0.00    +0.161 A 
BRANCH  19  23
ATOM     23  C   LIG    1        3.340   1.234   0.118  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.220   0.216   0.507  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        4.837  -0.594  -0.452  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        4.579  -0.383  -1.805  0.00  0.00    +0.018 A 
ATOM     27 BR   LIG    1        5.407  -1.481  -3.101  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1        3.714   0.632  -2.209  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1        3.098   1.438  -1.248  0.00  0.00    +0.013 A 
ENDBRANCH  19  23
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7