REMARK  Name = BDB062999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.897   0.705   0.086  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.842  -0.200  -0.260  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -3.180  -1.564  -0.449  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -2.191  -2.500  -0.788  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.860  -2.117  -0.946  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.474  -0.785  -0.766  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -4.506  -1.993  -0.299  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -5.515  -1.095   0.037  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.469   0.155  -0.431  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.213   0.248   0.229  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.944  -0.410  -0.942  0.00  0.00    -0.006 A 
ATOM     12  C   LIG    1        1.909  -0.537   0.102  0.00  0.00    -0.003 A 
ATOM     13  C   LIG    1        3.269  -0.187  -0.142  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        4.192  -0.335   0.935  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1        3.811  -0.836   2.183  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.487  -1.164   2.414  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.607   0.281  -1.442  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1        2.659   0.410  -2.455  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        1.554  -1.009   1.391  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.338   0.067  -2.203  0.00  0.00    +0.013 A 
BRANCH  14  21
ATOM     21  O   LIG    1        5.531  -0.053   0.786  0.00  0.00    -0.494 OA
ATOM     22  C   LIG    1        5.791   1.291   1.193  0.00  0.00    +0.277 C 
ENDBRANCH  14  21
BRANCH  17  23
ATOM     23  O   LIG    1        4.901   0.634  -1.736  0.00  0.00    -0.506 OA
ATOM     24  H   LIG    1        4.978   0.805  -2.687  0.00  0.00    +0.292 HD
ENDBRANCH  17  23
ENDBRANCH   6  11
BRANCH   1  26
ATOM     25  C   LIG    1       -4.548   2.951   0.618  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.530   2.022   0.263  0.00  0.00    -0.494 OA
ENDBRANCH   1  26
BRANCH   9  27
ATOM     27  O   LIG    1       -1.052   1.459  -0.271  0.00  0.00    -0.505 OA
ATOM     28  H   LIG    1       -1.839   1.981  -0.026  0.00  0.00    +0.292 HD
ENDBRANCH   9  27
TORSDOF 5