REMARK  Name = BDB054907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.409  -0.941   1.230  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.836  -0.637   2.553  0.00  0.00    -0.388 OA
ATOM      3  H   LIG    1        0.070  -0.250   3.012  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      4  C   LIG    1       -2.008  -1.483   0.813  0.00  0.00    -0.002 C 
ATOM      5  C   LIG    1       -0.816  -1.801   1.343  0.00  0.00    +0.004 C 
BRANCH   4   7
ATOM      6  C   LIG    1       -4.390  -2.096   0.438  0.00  0.00    -0.027 C 
ATOM      7  C   LIG    1       -3.170  -2.330   0.945  0.00  0.00    -0.004 C 
BRANCH   6   8
ATOM      8  C   LIG    1       -4.847  -0.935  -0.403  0.00  0.00    +0.027 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.811  -0.039   0.378  0.00  0.00    +0.004 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.239   1.212  -0.395  0.00  0.00    +0.000 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.569   2.176  -2.305  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -7.075   0.902  -1.637  0.00  0.00    -0.003 C 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   6   8
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  C   LIG    1        1.534  -1.674   0.490  0.00  0.00    +0.035 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.845  -0.880   0.386  0.00  0.00    +0.003 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.742   0.339  -0.532  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.015   1.195  -0.578  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.245   0.482  -1.153  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.207  -0.092  -0.103  0.00  0.00    +0.011 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.952   0.959   0.720  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1        7.899   1.782  -0.116  0.00  0.00    +0.305 C 
ATOM     21  O   LIG    1        7.681   2.933  -0.463  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1        9.027   1.121  -0.459  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1        9.070   0.210  -0.110  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 16