REMARK  Name = BDB045953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.608  -2.235  -1.895  0.00  0.00    -0.472 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.289  -0.621  -0.792  0.00  0.00    -0.036 A 
ATOM      3  C   LIG    1        3.225   0.244  -1.058  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        1.980  -0.268  -1.431  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.795  -1.651  -1.522  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        2.867  -2.514  -1.279  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.112  -2.000  -0.908  0.00  0.00    +0.008 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.549  -0.071  -0.405  0.00  0.00    +0.066 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.746   0.606  -0.017  0.00  0.00    +0.222 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.741   2.135   0.173  0.00  0.00    +0.392 C 
ATOM     11  O   LIG    1        7.850   2.635   0.522  0.00  0.00    -0.243 OA
ATOM     12  O   LIG    1        5.639   2.720  -0.038  0.00  0.00    -0.243 OA
ENDBRANCH   9  10
BRANCH   9  13
ATOM     13  O   LIG    1        7.953  -0.034   0.219  0.00  0.00    -0.345 OA
BRANCH  13  15
ATOM     14  C   LIG    1        7.982  -2.883  -0.181  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1        7.939  -1.347   0.027  0.00  0.00    +0.143 C 
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.450  -1.664  -1.322  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.645  -0.972  -0.641  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1       -2.619  -0.354  -0.048  0.00  0.00    -0.002 C 
ATOM     19  C   LIG    1       -2.457   0.795   0.860  0.00  0.00    -0.009 A 
ATOM     20  C   LIG    1       -3.767   1.158   1.260  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1       -3.959   2.223   2.126  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -2.834   2.918   2.586  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.539   2.548   2.182  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.734   0.264   0.626  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -6.117   0.229   0.715  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -6.806  -0.749  -0.011  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.115  -1.677  -0.812  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.722  -1.646  -0.904  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -1.340   1.476   1.310  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -4.049  -0.675  -0.183  0.00  0.00    -0.009 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8