REMARK  Name = BDB061637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.501  -2.445   2.122  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.419  -1.351   0.687  0.00  0.00    +0.157 A 
ATOM      3  C   LIG    1       -2.781  -0.578   1.655  0.00  0.00    +0.165 A 
ATOM      4  F   LIG    1       -3.385   0.514   2.145  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1       -1.516  -0.919   2.123  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -0.883  -2.075   1.645  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1       -1.542  -2.868   0.691  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.814  -2.518   0.228  0.00  0.00    +0.049 A 
BRANCH   2   9
ATOM      9  O   LIG    1       -4.685  -1.032   0.284  0.00  0.00    -0.472 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -4.490  -1.056  -2.175  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -4.795  -0.229  -0.922  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -3.979   1.068  -0.884  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.280   0.181  -0.985  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -6.808   0.745  -1.935  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.975  -0.131   0.139  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.377  -0.581   0.776  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   2   9
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  N   LIG    1        1.526  -1.893   1.270  0.00  0.00    -0.208 N 
ATOM     18  C   LIG    1        2.110  -0.626   1.411  0.00  0.00    +0.351 A 
ATOM     19  O   LIG    1        1.880   0.150   2.326  0.00  0.00    -0.244 OA
ATOM     20  N   LIG    1        2.946  -0.488   0.314  0.00  0.00    -0.250 N 
ATOM     21  C   LIG    1        2.778  -1.634  -0.386  0.00  0.00    +0.230 A 
ATOM     22  N   LIG    1        1.952  -2.498   0.117  0.00  0.00    -0.157 NA
BRANCH  20  23
ATOM     23  C   LIG    1        3.776   0.612  -0.016  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        3.848   1.748   0.802  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        4.670   2.836   0.475  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        5.455   2.817  -0.682  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        5.385   1.693  -1.511  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        4.561   0.607  -1.181  0.00  0.00    +0.027 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.324   3.995  -1.049  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.446   3.634  -1.731  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        6.758   4.699   0.033  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        5.674   4.889  -1.843  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 8