REMARK  Name = BDB017226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.037   1.390   0.115  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.365   2.540   0.288  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.277  -0.622   0.048  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.698   0.631  -0.171  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.308   0.816  -0.100  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.479  -0.287   0.200  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.086  -0.109   0.273  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.511   1.148   0.046  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.341   2.238  -0.239  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.069  -1.541   0.420  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.725   2.073  -0.314  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.457  -1.708   0.345  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.280  -1.899   0.163  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.640  -0.648  -0.055  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.933   0.216  -0.004  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.367  -0.220   1.409  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -2.501   0.646   1.984  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -3.414   1.287   0.939  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1       -3.422   0.487  -0.284  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1       -2.107   0.580  -0.937  0.00  0.00    +0.096 C 
BRANCH  16  21
ATOM     21  C   LIG    1       -1.722  -1.703   1.423  0.00  0.00    +0.394 C 
ATOM     22  F   LIG    1       -2.021  -2.113   2.678  0.00  0.00    -0.170 F 
ATOM     23  F   LIG    1       -0.643  -2.429   1.029  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1       -2.744  -2.046   0.623  0.00  0.00    -0.170 F 
ENDBRANCH  16  21
BRANCH  19  25
ATOM     25  C   LIG    1       -4.478   0.907  -1.217  0.00  0.00    +0.088 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.825   0.462  -0.722  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -6.158  -1.006  -0.611  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.821  -0.167  -1.666  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  15
TORSDOF 6