REMARK  Name = BDB025636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.001   0.945   0.493  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        0.318  -0.415   0.248  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        1.649  -0.827   0.113  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1        2.706   0.090   0.236  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        2.375   1.430   0.477  0.00  0.00    +0.133 A 
ATOM      6  F   LIG    1        3.334   2.361   0.600  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1        1.051   1.855   0.606  0.00  0.00    +0.064 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -2.428   5.464   0.088  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1       -2.494   4.016   0.282  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1       -1.813   3.623   1.532  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.784   2.095   1.764  0.00  0.00    +0.120 C 
ATOM     12  N   LIG    1       -1.357   1.308   0.586  0.00  0.00    -0.326 N 
ATOM     13  C   LIG    1       -1.944   1.774  -0.694  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -1.879   3.307  -0.859  0.00  0.00    +0.103 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        4.111  -0.354   0.079  0.00  0.00    -0.037 C 
ATOM     16  C   LIG    1        5.084   0.548  -0.643  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        6.305  -0.238  -1.120  0.00  0.00    +0.165 C 
ATOM     18  O   LIG    1        6.856  -0.981  -0.032  0.00  0.00    -0.375 OA
ATOM     19  C   LIG    1        5.968  -2.008   0.413  0.00  0.00    +0.187 C 
ATOM     20  C   LIG    1        4.550  -1.535   0.559  0.00  0.00    +0.005 C 
ENDBRANCH   4  15
BRANCH   2  21
ATOM     21  N   LIG    1       -0.787  -1.292   0.174  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1       -1.667  -0.800   0.318  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -0.783  -2.655   0.017  0.00  0.00    +0.250 C 
ATOM     24  O   LIG    1        0.183  -3.397  -0.094  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -2.157  -3.231   0.044  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -3.123  -3.078  -1.037  0.00  0.00    +0.073 A 
ATOM     27  C   LIG    1       -4.337  -3.653  -0.919  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1       -4.693  -4.431   0.294  0.00  0.00    +0.249 A 
ATOM     29  O   LIG    1       -5.797  -4.944   0.416  0.00  0.00    -0.268 OA
ATOM     30  N   LIG    1       -3.710  -4.530   1.247  0.00  0.00    -0.328 N 
ATOM     31  H   LIG    1       -3.946  -5.076   2.069  0.00  0.00    +0.168 HD
ATOM     32  C   LIG    1       -2.469  -3.954   1.132  0.00  0.00    +0.099 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -2.724  -2.313  -2.260  0.00  0.00    +0.418 C 
ATOM     34  F   LIG    1       -2.592  -0.989  -1.994  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -1.552  -2.740  -2.786  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1       -3.650  -2.408  -3.251  0.00  0.00    -0.166 F 
ENDBRANCH  26  33
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 5