REMARK  Name = BDB002045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.627   0.228   0.081  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -1.722   2.355   0.468  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1       -1.817   1.154   0.246  0.00  0.00    +0.213 C 
ATOM      4  N   LIG    1       -3.022   0.502   0.130  0.00  0.00    -0.308 N 
ATOM      5  H   LIG    1       -3.047  -0.508   0.193  0.00  0.00    +0.149 HD
BRANCH   4   6
ATOM      6  C   LIG    1       -4.260   1.198   0.394  0.00  0.00    +0.178 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -5.387   0.338  -0.036  0.00  0.00    +0.122 A 
ATOM      8  O   LIG    1       -5.492  -0.884   0.567  0.00  0.00    -0.466 OA
ATOM      9  C   LIG    1       -6.579  -1.498   0.032  0.00  0.00    +0.195 A 
ATOM     10  C   LIG    1       -7.173  -0.691  -0.909  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -6.403   0.496  -0.956  0.00  0.00    +0.046 A 
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1        0.697   0.988   0.086  0.00  0.00    +0.057 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.911   0.098  -0.199  0.00  0.00    +0.211 C 
ATOM     14  O   LIG    1        3.045   0.973  -0.353  0.00  0.00    -0.482 OA
ATOM     15  C   LIG    1        4.226   0.277  -0.369  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        4.340  -1.046   0.065  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        5.567  -1.702  -0.012  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        6.688  -1.026  -0.496  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        6.580   0.305  -0.904  0.00  0.00    +0.004 A 
ATOM     20  O   LIG    1        3.287  -1.763   0.571  0.00  0.00    -0.485 OA
ATOM     21  C   LIG    1        5.348   0.958  -0.839  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        2.191  -0.906   0.920  0.00  0.00    +0.273 C 
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 5