REMARK  Name = BDB049469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.844  -0.303   1.389  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.590   0.054   0.722  0.00  0.00    -0.027 C 
ATOM      3  C   LIG    1        0.340   0.501   0.930  0.00  0.00    -0.031 C 
BRANCH   2   4
ATOM      4  C   LIG    1        2.092  -1.356   0.843  0.00  0.00    +0.053 C 
BRANCH   4   6
ATOM      5  C   LIG    1        4.358  -1.727   1.959  0.00  0.00    -0.027 C 
ATOM      6  C   LIG    1        3.035  -1.489   2.004  0.00  0.00    -0.027 C 
BRANCH   5   7
ATOM      7  C   LIG    1        5.201  -1.939   0.735  0.00  0.00    +0.053 C 
BRANCH   7   9
ATOM      8  C   LIG    1        5.647  -0.042  -0.849  0.00  0.00    -0.031 C 
ATOM      9  C   LIG    1        5.879  -0.667   0.317  0.00  0.00    -0.027 C 
BRANCH   8  11
ATOM     10  C   LIG    1        5.307   2.359  -1.435  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1        6.318   1.235  -1.264  0.00  0.00    +0.023 C 
ENDBRANCH   8  11
ENDBRANCH   7   9
ENDBRANCH   5   7
ENDBRANCH   4   6
ENDBRANCH   2   4
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1       -1.784  -0.705   0.248  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.483   0.489  -0.411  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.403   0.090  -1.570  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.569  -0.836  -1.208  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.499  -0.339  -0.095  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.162   1.012  -0.363  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -7.138   0.970  -1.508  0.00  0.00    +0.305 C 
ATOM     19  O   LIG    1       -7.686  -0.010  -1.981  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -7.409   2.202  -1.984  0.00  0.00    -0.481 OA
ATOM     21  H   LIG    1       -8.059   2.040  -2.700  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 14