REMARK  Name = BDB047115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.610  -1.588  -0.564  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.857  -1.595   0.615  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.527  -1.167   0.604  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.072  -0.727  -0.578  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.675  -0.717  -1.756  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.009  -1.143  -1.748  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.058  -2.027  -0.553  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.018  -0.871  -0.225  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.440  -1.278  -0.636  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -6.750  -2.091  -1.495  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -7.412  -0.598   0.008  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -8.243  -0.977  -0.347  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -4.924  -0.602   1.181  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -3.767   1.517   1.405  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -5.087   0.774   1.519  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        1.375  -0.337  -0.445  0.00  0.00    -0.488 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.050   0.094  -1.624  0.00  0.00    +0.256 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.474   0.478  -1.322  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1        4.065   0.446  -0.116  0.00  0.00    +0.007 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.458   0.844   0.130  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        5.769   1.520   1.317  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        7.086   1.892   1.600  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        8.107   1.582   0.704  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.812   0.895  -0.472  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.495   0.524  -0.756  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 10