REMARK  Name = BDB054500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.932   1.500  -0.272  0.00  0.00    +0.154 C 
ATOM      2  C   LIG    1       -0.199   0.616  -1.269  0.00  0.00    +0.056 C 
ATOM      3  C   LIG    1        0.794   1.366  -2.145  0.00  0.00    +0.167 C 
ATOM      4  O   LIG    1        1.961   0.538  -2.270  0.00  0.00    -0.371 OA
ATOM      5  C   LIG    1        1.841  -0.580  -1.368  0.00  0.00    +0.154 C 
ATOM      6  C   LIG    1        0.709  -0.229  -0.417  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        1.046   0.724   0.718  0.00  0.00    +0.167 C 
ATOM      8  O   LIG    1       -0.112   1.554   0.911  0.00  0.00    -0.371 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.146  -0.940  -0.693  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        4.296  -0.146  -0.844  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        5.449  -0.532  -0.192  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.640   0.124  -0.229  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.444  -0.728   0.613  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.724  -1.861   1.140  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.497  -1.662   0.589  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.397  -2.472   0.759  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.213  -2.105   0.110  0.00  0.00    +0.010 A 
ENDBRANCH   5   9
BRANCH   1  22
ATOM     18  C   LIG    1       -4.641   0.674  -0.607  0.00  0.00    +0.165 A 
ATOM     19  C   LIG    1       -4.864  -0.055   0.569  0.00  0.00    +0.201 A 
ATOM     20  C   LIG    1       -3.845  -0.279   1.500  0.00  0.00    +0.165 A 
ATOM     21  C   LIG    1       -2.572   0.231   1.230  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -2.316   0.962   0.054  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -3.366   1.179  -0.859  0.00  0.00    +0.055 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.571   1.589  -2.600  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.739   0.815  -1.419  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1       -6.124  -0.554   0.806  0.00  0.00    -0.501 OA
ATOM     27  H   LIG    1       -6.659  -0.270   0.042  0.00  0.00    +0.292 HD
ENDBRANCH  19  26
BRANCH  20  28
ATOM     28  O   LIG    1       -4.182  -1.005   2.611  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -3.216  -1.097   3.648  0.00  0.00    +0.277 C 
ENDBRANCH  20  28
ENDBRANCH   1  22
TORSDOF 5