REMARK  Name = BDB046131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.636  -1.377   2.467  0.00  0.00    -0.472 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.051  -0.164   0.424  0.00  0.00    -0.036 A 
ATOM      3  C   LIG    1        3.849   0.200   1.756  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        2.696  -0.214   2.425  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.740  -0.979   1.754  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        1.954  -1.365   0.426  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.109  -0.949  -0.240  0.00  0.00    +0.008 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.228   0.272  -0.252  0.00  0.00    +0.059 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.468   0.758  -0.895  0.00  0.00    +0.244 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.602   0.972   0.164  0.00  0.00    +0.385 C 
ATOM     11  O   LIG    1        7.464   2.006   0.886  0.00  0.00    -0.243 OA
ATOM     12  O   LIG    1        8.538   0.120   0.176  0.00  0.00    -0.243 OA
ENDBRANCH   9  10
BRANCH   9  13
ATOM     13  O   LIG    1        6.849  -0.201  -1.897  0.00  0.00    -0.351 OA
BRANCH  13  15
ATOM     14  C   LIG    1        8.602   0.965  -3.853  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1        7.693   0.346  -2.767  0.00  0.00    +0.142 C 
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.495  -1.049   1.845  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.784  -0.650   1.100  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1       -2.857  -0.292   0.442  0.00  0.00    -0.003 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.875   1.064  -0.181  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1       -1.713   1.642  -0.720  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -1.748   2.914  -1.299  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.942   3.627  -1.347  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.103   3.072  -0.816  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.070   1.800  -0.236  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -3.971  -1.277   0.349  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -4.381  -2.025   1.464  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.429  -2.944   1.360  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.078  -3.128   0.142  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.681  -2.396  -0.975  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.634  -1.477  -0.872  0.00  0.00    +0.008 A 
ENDBRANCH  18  25
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 10