REMARK  Name = BDB053908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.431  -1.514  -0.245  0.00  0.00    -0.027 C 
ATOM      2  C   LIG    1        2.773  -1.558  -0.242  0.00  0.00    -0.030 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.517  -1.318  -1.422  0.00  0.00    +0.053 C 
BRANCH   3   5
ATOM      4  C   LIG    1       -1.596   0.092  -1.108  0.00  0.00    -0.027 C 
ATOM      5  C   LIG    1       -0.270  -0.047  -1.277  0.00  0.00    -0.027 C 
BRANCH   4   6
ATOM      6  C   LIG    1       -2.637  -0.987  -1.020  0.00  0.00    +0.053 C 
BRANCH   6   8
ATOM      7  C   LIG    1       -4.508  -0.739   0.709  0.00  0.00    -0.027 C 
ATOM      8  C   LIG    1       -3.245  -1.029   0.352  0.00  0.00    -0.027 C 
BRANCH   7   9
ATOM      9  C   LIG    1       -5.641  -0.296  -0.172  0.00  0.00    +0.053 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -7.209   1.548   0.660  0.00  0.00    -0.031 C 
ATOM     11  C   LIG    1       -6.045   1.114   0.149  0.00  0.00    -0.027 C 
BRANCH  10  13
ATOM     12  C   LIG    1       -8.634   0.733   2.538  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -8.412   0.730   1.033  0.00  0.00    +0.023 C 
ENDBRANCH  10  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   6   8
ENDBRANCH   4   6
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   2  14
ATOM     14  C   LIG    1        3.696  -1.449  -1.426  0.00  0.00    +0.031 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.308  -0.053  -1.596  0.00  0.00    +0.031 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.262   0.321  -0.493  0.00  0.00    -0.027 C 
ATOM     17  C   LIG    1        6.579   0.503  -0.672  0.00  0.00    -0.004 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.469   0.871   0.406  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1        8.786   1.056   0.235  0.00  0.00    +0.091 C 
BRANCH  19  20
ATOM     20  C   LIG    1        9.622   1.429   1.394  0.00  0.00    +0.330 C 
ATOM     21  O   LIG    1        9.210   1.572   2.532  0.00  0.00    -0.246 OA
BRANCH  20  22
ATOM     22  O   LIG    1       10.915   1.596   1.051  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1       11.123   1.459   0.111  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 13