REMARK  Name = BDB045447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.893   0.670  -0.352  0.00  0.00    +0.048 C 
ATOM      2  C   LIG    1        4.985   0.026  -1.129  0.00  0.00    +0.227 C 
ATOM      3  O   LIG    1        4.983  -0.049  -2.355  0.00  0.00    -0.284 OA
ATOM      4  C   LIG    1        6.138  -0.553  -0.387  0.00  0.00    +0.168 C 
ATOM      5  C   LIG    1        6.221  -0.482   0.941  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        5.166   0.178   1.717  0.00  0.00    +0.224 C 
ATOM      7  O   LIG    1        5.216   0.270   2.939  0.00  0.00    -0.284 OA
ATOM      8  C   LIG    1        4.002   0.749   0.984  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   4   9
ATOM      9  O   LIG    1        7.132  -1.166  -1.129  0.00  0.00    -0.503 OA
ATOM     10  H   LIG    1        6.847  -1.078  -2.065  0.00  0.00    +0.292 HD
ENDBRANCH   4   9
BRANCH   8  11
ATOM     11  O   LIG    1        3.030   1.360   1.759  0.00  0.00    -0.503 OA
ATOM     12  H   LIG    1        3.344   1.276   2.686  0.00  0.00    +0.292 HD
ENDBRANCH   8  11
BRANCH   1  13
ATOM     13  C   LIG    1        2.741   1.239  -1.143  0.00  0.00    +0.043 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.795   0.180  -1.729  0.00  0.00    +0.005 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.063  -0.688  -0.699  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.049   0.095   0.139  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.693  -0.827   1.109  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.636  -0.082   2.059  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.745   0.737   1.393  0.00  0.00    -0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.680  -0.102   0.518  0.00  0.00    -0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.836   0.745  -0.023  0.00  0.00    -0.000 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -6.499  -1.163  -0.348  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -5.741  -0.015  -0.996  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
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 12