REMARK  Name = BDB024726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.697   0.691  -1.740  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.235   0.014  -0.597  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.076  -1.032   0.037  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.308  -0.416   0.725  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.358  -1.899   1.082  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.946  -2.209   0.642  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.226  -0.901   0.491  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.110  -0.735   0.913  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -0.942  -1.638   1.523  0.00  0.00    -0.224 NA
ATOM     10  C   LIG    1       -2.098  -1.018   1.718  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1       -2.023   0.280   1.245  0.00  0.00    -0.316 N 
ATOM     12  C   LIG    1       -0.757   0.478   0.729  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -0.130   1.571   0.129  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.194   1.395  -0.296  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        1.882   0.183  -0.135  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        3.083   1.537  -2.381  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1       -3.327  -1.600   2.343  0.00  0.00    +0.451 C 
ATOM     18  F   LIG    1       -3.933  -0.728   3.195  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1       -3.065  -2.716   3.073  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1       -4.258  -1.949   1.419  0.00  0.00    -0.163 F 
ENDBRANCH  10  17
BRANCH   1  22
ATOM     21  C   LIG    1        5.447   0.907  -3.299  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        4.941   0.272  -2.124  0.00  0.00    -0.453 OA
ENDBRANCH   1  22
BRANCH  11  23
ATOM     23  C   LIG    1       -3.067   1.296   1.309  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.178   1.050   0.320  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1       -5.505   0.945   0.764  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -6.543   0.734  -0.145  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.270   0.635  -1.507  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.959   0.750  -1.963  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.918   0.960  -1.057  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 4