REMARK  Name = BDB018595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.945   4.574  -0.070  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.138   3.133  -0.037  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.420   2.615  -0.143  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.446   3.279  -0.259  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.517   1.136  -0.116  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.427   0.360   0.037  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.095   0.976   0.183  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -1.027   2.322   0.122  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.688  -1.094  -0.021  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -3.315  -1.750   1.048  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.551  -3.125   0.990  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.163  -3.852  -0.135  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.543  -3.207  -1.204  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.306  -1.832  -1.150  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1        0.110   0.217   0.374  0.00  0.00    +0.112 A 
ATOM     16  N   LIG    1        1.319   0.681  -0.094  0.00  0.00    -0.209 NA
ATOM     17  C   LIG    1        2.184  -0.247   0.273  0.00  0.00    +0.228 A 
ATOM     18  O   LIG    1        1.624  -1.285   0.973  0.00  0.00    -0.443 OA
ATOM     19  C   LIG    1        0.299  -0.972   1.036  0.00  0.00    +0.226 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.626  -0.308   0.042  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        4.411  -1.369   0.518  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        5.788  -1.400   0.281  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.398  -0.371  -0.434  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.632   0.689  -0.915  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.256   0.719  -0.678  0.00  0.00    +0.013 A 
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 3