REMARK  Name = BDB061772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.797  -1.087  -0.174  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.738  -2.469  -0.023  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.169  -3.200  -0.687  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.618  -3.118   0.837  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.578  -2.382   1.536  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.681  -0.990   1.365  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.771  -0.348   0.509  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.428  -0.494  -0.642  0.00  0.00    -0.293 NA
ATOM      9  C   LIG    1        3.552  -1.303   0.246  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1        3.539  -2.772  -0.207  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1        2.106  -0.762   0.370  0.00  0.00    +0.126 C 
ATOM     12  N   LIG    1        1.483  -0.482  -0.929  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        0.103  -0.389  -1.107  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.423   0.264  -2.007  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.320   0.269  -1.865  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        3.759  -0.272  -1.946  0.00  0.00    +0.104 C 
BRANCH   8  17
ATOM     17  C   LIG    1        4.821   0.765   0.011  0.00  0.00    +0.111 C 
BRANCH  17  20
ATOM     18  C   LIG    1        8.401   2.186  -0.685  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        7.213   1.558  -0.034  0.00  0.00    -0.033 C 
ATOM     20  C   LIG    1        6.026   1.388  -0.640  0.00  0.00    -0.016 C 
ENDBRANCH  17  20
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1       -3.723  -0.210   2.144  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.370   0.860   1.384  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.376   0.571   0.410  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -5.976   1.622  -0.294  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -6.967   1.388  -1.258  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.371   0.086  -1.533  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.788  -0.974  -0.845  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.558   3.003  -0.012  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -6.063   3.964  -0.581  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -4.578   3.151   0.928  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -4.276   4.094   1.122  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -5.799  -0.734   0.119  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -3.963   2.161   1.638  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -3.090   2.461   2.451  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5