REMARK  Name = BDB017128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.261  -2.190  -1.656  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1       -0.080  -1.349  -0.776  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.232  -0.802   0.066  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -2.592  -1.109  -0.599  0.00  0.00    +0.095 C 
ATOM      5  N   LIG    1       -3.744  -0.911   0.293  0.00  0.00    -0.301 NA
ATOM      6  C   LIG    1       -3.462  -0.151   1.500  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -2.373  -0.847   2.323  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -1.214  -1.387   1.478  0.00  0.00    +0.014 C 
BRANCH   5   9
ATOM      9  C   LIG    1       -4.977  -0.541  -0.396  0.00  0.00    +0.088 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.019   0.888  -0.854  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -6.343   1.514  -1.217  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -5.613   1.972   0.013  0.00  0.00    +0.005 C 
ENDBRANCH   9  10
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  C   LIG    1        1.317  -0.860  -0.535  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        1.618   0.204   0.321  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.947   0.616   0.502  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.013  -0.015  -0.163  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.688  -1.072  -1.031  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        2.365  -1.491  -1.214  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.418   0.407   0.018  0.00  0.00    +0.071 A 
ATOM     20  N   LIG    1        6.221   0.258  -1.067  0.00  0.00    -0.255 NA
ATOM     21  C   LIG    1        7.515   0.632  -0.956  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        8.070   1.152   0.199  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        7.249   1.294   1.308  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.910   0.917   1.221  0.00  0.00    +0.028 A 
ENDBRANCH  16  19
ENDBRANCH   2  13
TORSDOF 5