REMARK  Name = BDB064758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.359  -0.287   1.065  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -1.033  -0.049   0.659  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.062  -0.593   1.352  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -0.192  -1.365   2.495  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -1.497  -1.614   2.918  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.571  -1.079   2.204  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.656   1.368  -1.109  0.00  0.00    +0.117 A 
ATOM      8  C   LIG    1       -4.704   0.610  -1.779  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.628   0.071  -1.065  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.493   0.284   0.318  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -4.473   1.055   0.966  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -5.549   1.595   0.257  0.00  0.00    +0.046 A 
BRANCH   7  13
ATOM     13  O   LIG    1       -6.721   1.912  -1.762  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -6.657   1.681  -2.703  0.00  0.00    +0.292 HD
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   3  15
ATOM     15  C   LIG    1        1.448  -0.313   0.934  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        1.851  -0.218  -0.344  0.00  0.00    +0.009 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.240   0.049  -0.745  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        4.333  -0.518  -0.072  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        5.630  -0.259  -0.512  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        5.867   0.547  -1.619  0.00  0.00    +0.090 A 
ATOM     21  C   LIG    1        4.782   1.094  -2.293  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.478   0.848  -1.871  0.00  0.00    +0.053 A 
BRANCH  19  23
ATOM     23  O   LIG    1        6.713  -0.793   0.124  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1        6.399  -1.327   0.873  0.00  0.00    +0.292 HD
ENDBRANCH  19  23
BRANCH  21  25
ATOM     25  O   LIG    1        4.955   1.887  -3.390  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1        5.908   1.976  -3.557  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
ENDBRANCH  16  17
ENDBRANCH   3  15
BRANCH   4  27
ATOM     27  O   LIG    1        0.858  -1.889   3.203  0.00  0.00    -0.506 OA
ATOM     28  H   LIG    1        0.507  -2.407   3.945  0.00  0.00    +0.292 HD
ENDBRANCH   4  27
TORSDOF 7