REMARK  Name = BDB046944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.278   0.201  -0.754  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        1.049  -0.602   0.099  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        2.246  -0.094   0.559  0.00  0.00    +0.167 A 
ATOM      4  O   LIG    1        3.110  -0.731   1.394  0.00  0.00    -0.453 OA
ATOM      5  C   LIG    1        4.156   0.257   1.508  0.00  0.00    +0.466 C 
ATOM      6  O   LIG    1        3.892   1.460   0.758  0.00  0.00    -0.453 OA
ATOM      7  C   LIG    1        2.692   1.155   0.197  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1        1.968   1.965  -0.650  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.749   1.476  -1.132  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM     10  O   LIG    1       -3.494  -1.356  -2.349  0.00  0.00    -0.245 OA
ATOM     11  C   LIG    1       -3.305  -1.121  -1.170  0.00  0.00    +0.335 C 
ATOM     12  C   LIG    1       -2.033  -0.682  -0.552  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1       -0.998  -0.272  -1.298  0.00  0.00    +0.018 C 
ATOM     14  C   LIG    1       -2.201  -0.748   0.918  0.00  0.00    +0.083 C 
ATOM     15  C   LIG    1       -3.704  -0.671   1.030  0.00  0.00    +0.237 C 
ATOM     16  O   LIG    1       -4.230  -1.228  -0.177  0.00  0.00    -0.461 OA
ENDBRANCH   1  13
TORSDOF 1