REMARK  Name = BDB009256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.340  -1.676   0.930  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.988  -1.333   1.222  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.923  -2.314   1.578  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.506  -3.651   1.650  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.188  -4.001   1.358  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.736  -3.019   0.990  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.806   0.463   0.058  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.263  -0.581   0.514  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.614  -0.792   0.698  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.937  -1.595   1.219  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.587   0.212   0.304  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.653   1.392   1.279  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.632   2.445   0.810  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        4.266   3.337  -0.206  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.175   4.286  -0.677  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        6.469   4.364  -0.139  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        6.823   3.488   0.900  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        5.918   2.528   1.362  0.00  0.00    +0.004 A 
BRANCH  16  19
ATOM     19  C   LIG    1        7.449   5.388  -0.658  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        7.412   5.515  -2.015  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.218   6.634  -0.157  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        8.747   5.099  -0.355  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -3.364  -1.946   1.847  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.299  -2.378   0.714  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.519  -1.472  -0.463  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -3.920  -0.087  -0.519  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -4.629   0.819  -1.533  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -4.800   0.105  -2.871  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.615  -1.184  -2.713  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.301  -1.949  -1.452  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.915  -3.299  -1.337  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -6.617  -3.771  -2.229  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -5.662  -3.970  -0.171  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.052  -4.911  -0.084  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -4.849  -3.552   0.837  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7