REMARK  Name = BDB002521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.389  -3.262   0.261  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -0.458  -2.090   0.444  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -0.930  -0.828   1.153  0.00  0.00    +0.156 C 
ATOM      4  C   LIG    1       -0.167   0.393   0.602  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        1.287   0.038   0.443  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1        2.296   1.126   0.545  0.00  0.00    +0.162 C 
ATOM      7  C   LIG    1        3.736   0.805   0.218  0.00  0.00    +0.088 C 
ATOM      8  C   LIG    1        4.081  -0.609   0.685  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1        3.120  -1.630   0.057  0.00  0.00    +0.064 C 
ATOM     10  O   LIG    1        1.949   2.268   0.843  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1        1.671  -1.228   0.210  0.00  0.00    +0.049 C 
ATOM     12  N   LIG    1        0.774  -2.257   0.052  0.00  0.00    -0.260 NA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        5.536  -0.958   0.421  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1        6.380  -1.278   1.498  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        7.721  -1.601   1.278  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        8.222  -1.605  -0.017  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        9.508  -1.915  -0.226  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        7.408  -1.293  -1.097  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        6.067  -0.970  -0.880  0.00  0.00    +0.007 A 
ENDBRANCH   8  13
BRANCH   4  20
ATOM     20  C   LIG    1       -0.759   0.947  -0.664  0.00  0.00    +0.114 A 
ATOM     21  O   LIG    1       -1.292   0.058  -1.548  0.00  0.00    -0.464 OA
ATOM     22  C   LIG    1       -1.753   0.773  -2.611  0.00  0.00    +0.102 A 
ATOM     23  C   LIG    1       -2.380  -0.005  -3.696  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -1.518   2.117  -2.415  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -0.877   2.230  -1.159  0.00  0.00    +0.045 A 
ENDBRANCH   4  20
BRANCH   3  26
ATOM     26  C   LIG    1       -2.421  -0.569   1.227  0.00  0.00    +0.317 C 
ATOM     27  O   LIG    1       -3.303  -1.294   0.794  0.00  0.00    -0.250 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -2.653   0.578   1.931  0.00  0.00    -0.462 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.026   0.930   2.174  0.00  0.00    +0.263 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.487   2.061   1.247  0.00  0.00    +0.156 C 
ATOM     31  O   LIG    1       -5.760   2.549   1.720  0.00  0.00    -0.373 OA
ATOM     32  C   LIG    1       -6.764   2.253   0.739  0.00  0.00    +0.160 C 
ATOM     33  C   LIG    1       -6.161   1.245  -0.212  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1       -4.707   1.641  -0.200  0.00  0.00    +0.037 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   3  26
TORSDOF 6