REMARK  Name = BDB055060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.226  -0.665  -0.782  0.00  0.00    +0.136 C 
ATOM      2  O   LIG    1        2.105  -0.744  -1.925  0.00  0.00    -0.450 OA
ATOM      3  C   LIG    1        2.693   0.463  -2.152  0.00  0.00    +0.336 C 
ATOM      4  O   LIG    1        3.462   0.711  -3.062  0.00  0.00    -0.245 OA
ATOM      5  C   LIG    1        2.248   1.411  -1.127  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1        1.393   0.752  -0.346  0.00  0.00    +0.031 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.685   2.829  -1.076  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        4.117   2.972  -0.582  0.00  0.00    +0.009 C 
ENDBRANCH   5   7
BRANCH   1   9
ATOM      9  C   LIG    1        1.760  -1.623   0.301  0.00  0.00    +0.049 C 
ATOM     10  C   LIG    1        1.881  -3.075  -0.150  0.00  0.00    +0.008 C 
ENDBRANCH   1   9
BRANCH   1  11
ATOM     11  C   LIG    1       -0.212  -0.971  -1.286  0.00  0.00    +0.082 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.353  -0.792  -0.291  0.00  0.00    -0.069 C 
ATOM     13  C   LIG    1       -1.953   0.412  -0.177  0.00  0.00    -0.020 C 
BRANCH  12  15
ATOM     14  C   LIG    1       -2.740  -2.890  -0.272  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -1.766  -2.013   0.500  0.00  0.00    +0.027 C 
ENDBRANCH  12  15
BRANCH  13  16
ATOM     16  C   LIG    1       -3.085   0.804   0.729  0.00  0.00    +0.101 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.606   1.702   1.867  0.00  0.00    +0.134 C 
ATOM     18  O   LIG    1       -1.467   2.167   1.932  0.00  0.00    -0.297 OA
ATOM     19  C   LIG    1       -3.631   2.025   2.924  0.00  0.00    +0.086 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 7