REMARK  Name = BDB061778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.303   0.673  -0.079  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.604   1.955  -0.530  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.705   2.191  -1.257  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.233   3.022  -0.219  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.392   2.801   0.531  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.735   1.507   0.960  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -0.868   0.445   0.655  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        4.814  -1.349  -0.515  0.00  0.00    +0.071 C 
ATOM      9  N   LIG    1        5.323  -0.645   0.687  0.00  0.00    -0.310 NA
ATOM     10  H   LIG    1        5.215  -1.273   1.484  0.00  0.00    +0.122 HD
ATOM     11  C   LIG    1        4.534   0.570   0.954  0.00  0.00    +0.100 C 
ATOM     12  C   LIG    1        3.023   0.308   1.066  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1        2.504  -0.464  -0.068  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        1.157  -0.474  -0.431  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        0.623  -1.404  -1.033  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        3.296  -1.644  -0.421  0.00  0.00    +0.126 C 
BRANCH   8  18
ATOM     17  C   LIG    1        6.641  -0.367  -2.018  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1        5.149  -0.610  -1.829  0.00  0.00    +0.017 C 
ENDBRANCH   8  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -2.991   1.294   1.784  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.737   0.082   1.445  0.00  0.00    -0.289 N 
ATOM     21  C   LIG    1       -4.546   0.014   0.269  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -5.248  -1.163  -0.018  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1       -6.055  -1.276  -1.159  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -6.169  -0.202  -2.035  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.479   0.977  -1.769  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.138  -2.305   0.901  0.00  0.00    +0.262 A 
ATOM     27  O   LIG    1       -5.745  -3.353   0.712  0.00  0.00    -0.267 OA
ATOM     28  N   LIG    1       -4.322  -2.126   1.982  0.00  0.00    -0.274 N 
ATOM     29  H   LIG    1       -4.231  -2.906   2.614  0.00  0.00    +0.173 HD
ATOM     30  C   LIG    1       -4.676   1.086  -0.627  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -3.618  -1.002   2.304  0.00  0.00    +0.330 A 
ATOM     32  O   LIG    1       -2.921  -1.001   3.318  0.00  0.00    -0.246 OA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4