REMARK  Name = BDB061769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.977  -0.732  -0.622  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.728  -1.809  -1.465  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.294  -1.790  -2.332  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.544  -2.935  -1.422  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.630  -2.974  -0.543  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.922  -1.878   0.288  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -2.075  -0.758   0.247  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.135   0.217   0.172  0.00  0.00    -0.296 NA
ATOM      9  C   LIG    1        3.540   1.256  -0.712  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1        3.727   0.799  -2.165  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1        2.044   1.573  -0.447  0.00  0.00    +0.126 C 
ATOM     12  N   LIG    1        1.208   0.379  -0.346  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -0.139   0.478  -0.669  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.691   1.535  -0.965  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.838  -0.797   0.260  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        3.123  -0.436   1.026  0.00  0.00    +0.103 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.242   0.731   0.996  0.00  0.00    +0.087 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.585   1.641   1.109  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1        6.534   1.007   0.195  0.00  0.00    -0.003 C 
ATOM     20  C   LIG    1        7.098  -0.272  -0.431  0.00  0.00    +0.008 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1       -4.098  -1.949   1.244  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.857  -0.703   1.361  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.765  -0.290   0.336  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -6.477   0.906   0.486  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -7.378   1.351  -0.491  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.578   0.597  -1.643  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.880  -0.595  -1.812  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.275   1.712   1.699  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -6.887   2.755   1.896  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -5.371   1.222   2.599  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -5.218   1.771   3.431  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -5.982  -1.036  -0.832  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -4.654   0.065   2.498  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -3.874  -0.237   3.400  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5