REMARK  Name = BDB047118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.349  -1.183  -0.470  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -3.044  -1.166   0.894  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.721  -1.016   1.318  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.684  -0.876   0.393  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.983  -0.906  -0.968  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.307  -1.056  -1.396  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.779  -1.324  -0.941  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.357   0.012  -1.431  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.602  -0.052  -2.941  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -4.742  -0.264  -3.783  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -6.906   0.159  -3.257  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -7.396   0.294  -2.411  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -6.644   0.262  -0.815  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.462   2.417   0.284  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -6.545   0.911   0.456  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.557  -0.746   0.949  0.00  0.00    -0.488 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.656  -0.370   0.114  0.00  0.00    +0.257 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.364  -1.603  -0.374  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1        3.689  -1.844  -0.357  0.00  0.00    -0.001 C 
ATOM     20  C   LIG    1        4.252  -3.141  -0.872  0.00  0.00    +0.053 C 
BRANCH  19  21
ATOM     21  C   LIG    1        4.609  -0.873   0.142  0.00  0.00    -0.066 C 
ATOM     22  C   LIG    1        5.387  -0.059   0.560  0.00  0.00    -0.061 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.307   0.915   1.061  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        7.409   1.299   0.293  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        8.304   2.252   0.782  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.100   2.820   2.039  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.001   2.437   2.808  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.104   1.485   2.320  0.00  0.00    +0.017 A 
ENDBRANCH  22  23
ENDBRANCH  19  21
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11