REMARK  Name = BDB045284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.113   1.282   2.246  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        0.077   0.691   1.168  0.00  0.00    +0.185 C 
ATOM      3  C   LIG    1       -1.228   0.279   0.548  0.00  0.00    +0.000 C 
ATOM      4  C   LIG    1       -2.327   0.463   1.308  0.00  0.00    +0.015 C 
ATOM      5  C   LIG    1       -1.234  -0.324  -0.829  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1        0.036  -1.103  -1.129  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1        1.248  -0.200  -0.963  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        1.341   0.353   0.430  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1        2.493   0.559   1.099  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.701   0.145   0.905  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1       -4.313   0.805  -0.167  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -5.618   0.481  -0.510  0.00  0.00    +0.159 A 
ATOM     13  C   LIG    1       -6.328  -0.482   0.203  0.00  0.00    +0.158 A 
ATOM     14  C   LIG    1       -5.738  -1.136   1.277  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -4.422  -0.818   1.629  0.00  0.00    +0.012 A 
BRANCH  12  16
ATOM     16  O   LIG    1       -6.208   1.120  -1.563  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1       -7.109   0.741  -1.605  0.00  0.00    +0.292 HD
ENDBRANCH  12  16
BRANCH  13  18
ATOM     18  O   LIG    1       -7.609  -0.749  -0.191  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1       -7.975  -1.424   0.406  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
ENDBRANCH   4  10
BRANCH   9  20
ATOM     20  C   LIG    1        3.828   0.304   0.553  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        4.420   1.224  -0.323  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        5.684   0.955  -0.837  0.00  0.00    +0.159 A 
ATOM     23  C   LIG    1        6.352  -0.216  -0.487  0.00  0.00    +0.158 A 
ATOM     24  C   LIG    1        5.777  -1.132   0.381  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        4.510  -0.870   0.905  0.00  0.00    +0.012 A 
BRANCH  22  26
ATOM     26  O   LIG    1        6.314   1.815  -1.694  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1        5.747   2.596  -1.811  0.00  0.00    +0.292 HD
ENDBRANCH  22  26
BRANCH  23  28
ATOM     28  O   LIG    1        7.591  -0.472  -1.000  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1        7.786   0.301  -1.567  0.00  0.00    +0.292 HD
ENDBRANCH  23  28
ENDBRANCH   9  20
TORSDOF 6