REMARK  Name = BDB045287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.151   2.292   0.157  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.655   1.415   1.072  0.00  0.00    +0.164 C 
ATOM      3  O   LIG    1       -0.213   1.059   2.162  0.00  0.00    -0.292 OA
BRANCH   2   5
ATOM      4  C   LIG    1       -2.797   0.260   1.385  0.00  0.00    +0.011 C 
ATOM      5  C   LIG    1       -1.995   0.978   0.587  0.00  0.00    +0.047 C 
BRANCH   4  10
ATOM      6  C   LIG    1       -6.270   0.031  -0.140  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -6.655  -1.228   0.340  0.00  0.00    +0.158 A 
ATOM      8  C   LIG    1       -5.802  -1.984   1.141  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -4.541  -1.483   1.468  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.124  -0.234   0.990  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1       -5.003   0.523   0.197  0.00  0.00    +0.057 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -6.818   1.951  -1.448  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -7.192   0.692  -0.909  0.00  0.00    -0.491 OA
ENDBRANCH   6  13
BRANCH   7  14
ATOM     14  O   LIG    1       -7.894  -1.716   0.017  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1       -8.007  -2.590   0.422  0.00  0.00    +0.292 HD
ENDBRANCH   7  14
ENDBRANCH   4  10
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.856   1.498  -0.904  0.00  0.00    +0.164 C 
ATOM     17  O   LIG    1        0.397   1.408  -2.041  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1        2.116   0.806  -0.509  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        2.844   0.157  -1.431  0.00  0.00    +0.011 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.087  -0.571  -1.138  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        5.025  -0.112  -0.197  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        6.211  -0.818   0.037  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1        6.457  -1.987  -0.696  0.00  0.00    +0.158 A 
ATOM     24  C   LIG    1        5.545  -2.446  -1.644  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        4.365  -1.734  -1.866  0.00  0.00    +0.012 A 
BRANCH  22  26
ATOM     26  O   LIG    1        7.181  -0.453   0.934  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        6.934   0.688   1.742  0.00  0.00    +0.277 C 
ENDBRANCH  22  26
BRANCH  23  28
ATOM     28  O   LIG    1        7.616  -2.683  -0.476  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1        7.637  -3.458  -1.057  0.00  0.00    +0.292 HD
ENDBRANCH  23  28
ENDBRANCH  19  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 10