REMARK  Name = BDB046496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.744  -0.720   0.651  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.110  -0.961  -0.569  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.219  -1.388  -0.592  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.913  -1.555   0.611  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.273  -1.340   1.833  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.057  -0.914   1.851  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1        8.106   0.237   0.721  0.00  0.00    -0.248 OA
ATOM      8  C   LIG    1        6.924   0.576   0.708  0.00  0.00    +0.353 C 
ATOM      9  N   LIG    1        6.297   0.837  -0.452  0.00  0.00    -0.122 NA
ATOM     10  C   LIG    1        5.030   0.450  -0.592  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        4.430   0.364  -1.669  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        4.332   0.155   0.683  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1        3.098  -0.270   0.670  0.00  0.00    +0.008 C 
ATOM     14  C   LIG    1        5.003   0.459   1.970  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        4.381   0.380   3.034  0.00  0.00    -0.268 OA
ATOM     16  N   LIG    1        6.273   0.843   1.853  0.00  0.00    -0.122 NA
ENDBRANCH   1  13
BRANCH   4  17
ATOM     17  O   LIG    1       -2.218  -1.982   0.635  0.00  0.00    -0.472 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -3.020  -1.100   0.038  0.00  0.00    +0.231 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.861  -0.137  -0.604  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -3.334   1.099  -0.984  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -4.149   2.041  -1.614  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.490   1.748  -1.863  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.017   0.513  -1.483  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.203  -0.431  -0.854  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 4