REMARK  Name = BDB059979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.902   1.123  -0.277  0.00  0.00    +0.007 C 
ATOM      2  C   LIG    1        0.988   1.248   0.889  0.00  0.00    +0.224 C 
ATOM      3  O   LIG    1        1.396   1.708   1.952  0.00  0.00    -0.284 OA
ATOM      4  C   LIG    1       -0.433   0.805   0.735  0.00  0.00    +0.180 C 
ATOM      5  O   LIG    1       -1.179   0.867   1.896  0.00  0.00    -0.477 OA
ATOM      6  C   LIG    1       -2.608   0.991   1.774  0.00  0.00    +0.131 C 
ATOM      7  C   LIG    1       -3.165   0.183   0.610  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.321  -0.112  -0.477  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1       -2.836  -0.877  -1.538  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.172  -1.304  -1.561  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -4.680  -2.139  -2.699  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.002  -0.984  -0.490  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.507  -0.242   0.581  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -3.139   0.510   3.136  0.00  0.00    +0.060 C 
ATOM     15  C   LIG    1       -2.950   2.480   1.601  0.00  0.00    +0.060 C 
ATOM     16  C   LIG    1       -0.922   0.381  -0.444  0.00  0.00    +0.075 C 
ATOM     17  C   LIG    1       -0.038   0.428  -1.645  0.00  0.00    +0.191 C 
ATOM     18  O   LIG    1       -0.430   0.228  -2.790  0.00  0.00    -0.287 OA
ATOM     19  C   LIG    1        1.388   0.746  -1.452  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1        3.350   1.472  -0.017  0.00  0.00    +0.039 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.406   0.967  -1.014  0.00  0.00    +0.005 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.556  -0.557  -1.106  0.00  0.00    +0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.167  -0.818   0.858  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.870  -1.276   0.209  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4