REMARK  Name = BDB017227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.209  -0.979  -1.672  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.504  -0.812  -2.855  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        4.646   1.999   1.577  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        3.939   2.353   0.425  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.926   1.530  -0.092  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.615   0.321   0.567  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.599  -0.507   0.054  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        0.888  -0.141  -1.095  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.212   1.054  -1.748  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.331  -0.027   1.722  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.218   1.883  -1.250  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.338   0.804   2.224  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        6.352   2.585   3.127  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        5.602   2.898   1.960  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.929  -2.012  -0.801  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.837  -2.937  -1.652  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -3.212  -2.303  -1.913  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -3.861  -1.744  -0.648  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1       -3.007  -0.789   0.062  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1       -1.693  -1.363   0.370  0.00  0.00    +0.096 C 
BRANCH  16  21
ATOM     21  C   LIG    1       -1.966  -4.306  -1.000  0.00  0.00    +0.394 C 
ATOM     22  F   LIG    1       -2.510  -4.252   0.231  0.00  0.00    -0.170 F 
ATOM     23  F   LIG    1       -0.750  -4.888  -0.875  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1       -2.728  -5.133  -1.749  0.00  0.00    -0.170 F 
ENDBRANCH  16  21
BRANCH  19  25
ATOM     25  C   LIG    1       -2.984   0.523  -0.597  0.00  0.00    +0.088 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.419   1.578   0.313  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -3.151   1.987   1.567  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -3.071   2.936   0.405  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  15
TORSDOF 6