REMARK  Name = BDB007906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.427   0.468   0.958  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -3.341   0.301  -0.434  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -2.156  -0.142  -1.039  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -2.086  -0.328  -2.525  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -1.050  -0.395  -0.221  0.00  0.00    +0.135 A 
ATOM      6  C   LIG    1       -1.118  -0.251   1.165  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.305   0.187   1.750  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -4.715   0.942   1.599  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.873  -0.073   1.575  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.435  -1.408   2.196  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -5.491  -2.519   1.692  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -5.005  -1.278   3.471  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -4.762  -2.195   3.721  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -6.385  -0.144   0.242  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -8.098  -0.759  -1.295  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -7.668  -0.759   0.159  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  17
ATOM     17  O   LIG    1        0.127  -0.884  -0.801  0.00  0.00    -0.425 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.175   0.037  -0.841  0.00  0.00    +0.318 C 
ATOM     19  O   LIG    1        1.127   1.201  -0.462  0.00  0.00    -0.250 OA
BRANCH  18  20
ATOM     20  C   LIG    1        2.354  -0.631  -1.510  0.00  0.00    +0.179 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.650   0.011  -1.175  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        4.128   1.267  -1.488  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.594   2.441  -2.200  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        5.389   1.378  -0.973  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        5.621   0.169  -0.371  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        4.616  -0.682  -0.475  0.00  0.00    -0.213 NA
BRANCH  25  27
ATOM     27  C   LIG    1        6.918  -0.009   0.278  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        7.222  -1.231   0.897  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.454  -1.430   1.525  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.399  -0.407   1.542  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.114   0.813   0.933  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.881   1.011   0.304  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 11