REMARK  Name = BDB045125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.188   1.027  -0.572  0.00  0.00    +0.139 A 
ATOM      2  O   LIG    1        0.314   0.057  -0.122  0.00  0.00    -0.451 OA
ATOM      3  C   LIG    1       -1.034   0.234  -0.321  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1       -1.569   1.353  -0.963  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.958   1.452  -1.109  0.00  0.00    +0.177 A 
ATOM      6  C   LIG    1       -3.815   0.452  -0.617  0.00  0.00    +0.208 A 
ATOM      7  C   LIG    1       -3.269  -0.691  -0.025  0.00  0.00    +0.211 A 
ATOM      8  C   LIG    1       -0.627   2.383  -1.456  0.00  0.00    +0.197 A 
ATOM      9  O   LIG    1       -0.957   3.409  -2.035  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -1.882  -0.775   0.161  0.00  0.00    +0.209 A 
ATOM     11  C   LIG    1        0.805   2.136  -1.216  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        5.317   0.118   0.225  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        4.845   1.419   0.387  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.502   1.721   0.127  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.609   0.730  -0.306  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        3.092  -0.577  -0.456  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        4.433  -0.876  -0.197  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        7.531   0.664   0.895  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        6.597  -0.309   0.443  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   7  20
ATOM     20  O   LIG    1       -4.087  -1.706   0.402  0.00  0.00    -0.488 OA
ATOM     21  C   LIG    1       -4.032  -2.808  -0.508  0.00  0.00    +0.277 C 
ENDBRANCH   7  20
BRANCH   6  22
ATOM     22  O   LIG    1       -5.153   0.681  -0.834  0.00  0.00    -0.488 OA
ATOM     23  C   LIG    1       -6.005   0.323   0.253  0.00  0.00    +0.277 C 
ENDBRANCH   6  22
BRANCH   5  24
ATOM     24  O   LIG    1       -3.532   2.533  -1.726  0.00  0.00    -0.503 OA
ATOM     25  H   LIG    1       -4.493   2.364  -1.749  0.00  0.00    +0.292 HD
ENDBRANCH   5  24
BRANCH  10  26
ATOM     26  O   LIG    1       -1.325  -1.881   0.758  0.00  0.00    -0.488 OA
ATOM     27  C   LIG    1       -1.348  -1.734   2.179  0.00  0.00    +0.277 C 
ENDBRANCH  10  26
TORSDOF 6