REMARK  Name = BDB042459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.550   0.526   2.910  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        3.497   0.487   1.688  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        4.697   0.561   0.820  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1        4.523   0.511  -0.573  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        5.644   0.582  -1.411  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        6.924   0.702  -0.865  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        7.089   0.750   0.519  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        3.177   0.385  -1.139  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        2.114   0.311  -0.324  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        5.977   0.680   1.356  0.00  0.00    +0.136 A 
ATOM     11  F   LIG    1        6.185   0.731   2.679  0.00  0.00    -0.205 F 
ATOM     12  N   LIG    1        2.285   0.368   1.040  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1        1.478   0.327   1.652  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        0.697   0.190  -0.831  0.00  0.00    +0.054 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.120  -1.209  -0.582  0.00  0.00    +0.021 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.290  -1.382  -1.165  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.251  -0.401  -0.641  0.00  0.00    -0.296 NA
ATOM     18  C   LIG    1       -2.672  -0.656   0.752  0.00  0.00    +0.059 C 
ATOM     19  C   LIG    1       -3.273   0.664   1.268  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -4.467   1.123   0.423  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -4.231   0.912  -1.077  0.00  0.00    +0.050 C 
ATOM     22  C   LIG    1       -3.724  -1.765   0.642  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -4.293  -1.619  -0.771  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -3.537  -0.429  -1.371  0.00  0.00    +0.059 C 
BRANCH  20  25
ATOM     25  O   LIG    1       -4.764   2.491   0.688  0.00  0.00    -0.392 OA
ATOM     26  H   LIG    1       -3.983   3.014   0.436  0.00  0.00    +0.210 HD
ENDBRANCH  20  25
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   9  14
TORSDOF 5