REMARK  Name = BDB065209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.400   1.280   0.402  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.827   1.302  -0.865  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.557   1.167  -1.004  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.382   1.033   0.123  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        0.792   1.059   1.395  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.591   1.194   1.534  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.839   0.893  -0.025  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1        3.479  -0.377  -0.109  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        4.890  -0.426  -0.249  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        5.545  -1.667  -0.334  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.829  -2.862  -0.282  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.448  -2.833  -0.146  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.630   0.765  -0.304  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.998   2.002  -0.223  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.783  -1.608  -0.061  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.616   2.065  -0.085  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1       -2.744   1.445   0.582  0.00  0.00    -0.475 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -3.573   0.274   0.367  0.00  0.00    +0.203 C 
ATOM     19  C   LIG    1       -3.057  -0.944   1.157  0.00  0.00    +0.068 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -6.067  -0.322   0.891  0.00  0.00    +0.008 C 
ATOM     21  C   LIG    1       -4.957   0.720   0.913  0.00  0.00    +0.056 C 
ENDBRANCH  18  21
BRANCH  18  22
ATOM     22  C   LIG    1       -3.759  -0.028  -1.135  0.00  0.00    +0.349 C 
ATOM     23  O   LIG    1       -3.826   0.787  -2.043  0.00  0.00    -0.246 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.912  -1.339  -1.424  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1       -4.034  -1.349  -2.397  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6