REMARK  Name = BDB061647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.099  -1.918   0.709  0.00  0.00    +0.012 C 
ATOM      2  C   LIG    1       -2.515  -0.507   0.430  0.00  0.00    -0.026 C 
ATOM      3  C   LIG    1       -0.941  -0.555   0.375  0.00  0.00    +0.001 C 
ATOM      4  C   LIG    1       -0.277  -1.351   1.498  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1        1.218  -1.048   1.537  0.00  0.00    +0.010 C 
ATOM      6  C   LIG    1        1.938  -1.164   0.169  0.00  0.00    +0.004 C 
ATOM      7  C   LIG    1        1.012  -1.657  -0.995  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1        1.844  -1.338  -2.250  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        2.664  -0.088  -1.913  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1        2.413   0.208  -0.413  0.00  0.00    +0.031 C 
ATOM     11  C   LIG    1        3.146  -2.121   0.384  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -0.449  -1.071  -1.002  0.00  0.00    +0.025 C 
ATOM     13  C   LIG    1       -0.779  -0.015  -2.074  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -2.054   0.781  -1.781  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -3.084  -0.005  -0.950  0.00  0.00    -0.002 C 
ATOM     16  C   LIG    1       -4.366   0.819  -0.757  0.00  0.00    +0.035 C 
ATOM     17  C   LIG    1       -4.155   2.073   0.095  0.00  0.00    +0.115 C 
ATOM     18  C   LIG    1       -3.134   1.876   1.219  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1       -2.997   0.405   1.605  0.00  0.00    +0.010 C 
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1        3.542   0.932   0.302  0.00  0.00    -0.009 A 
ATOM     21  C   LIG    1        4.851   0.729   0.091  0.00  0.00    +0.203 A 
ATOM     22  O   LIG    1        5.876   1.427   0.750  0.00  0.00    -0.430 OA
ATOM     23  C   LIG    1        5.566   2.392   1.667  0.00  0.00    +0.337 A 
ATOM     24  O   LIG    1        6.421   3.030   2.272  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1        4.136   2.653   1.904  0.00  0.00    +0.092 A 
ATOM     26  C   LIG    1        3.192   1.963   1.255  0.00  0.00    +0.014 A 
ENDBRANCH  10  20
BRANCH   7  27
ATOM     27  O   LIG    1        0.876  -3.082  -0.901  0.00  0.00    -0.388 OA
ATOM     28  H   LIG    1        0.467  -3.401  -1.725  0.00  0.00    +0.210 HD
ENDBRANCH   7  27
BRANCH  17  29
ATOM     29  O   LIG    1       -5.420   2.437   0.645  0.00  0.00    -0.392 OA
ATOM     30  H   LIG    1       -5.300   3.269   1.135  0.00  0.00    +0.210 HD
ENDBRANCH  17  29
TORSDOF 3