REMARK  Name = BDB046340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.465   1.032  -2.397  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.701   0.876  -1.444  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -0.544   0.255  -1.598  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.628   0.430  -0.630  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -2.801  -0.494  -0.863  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1       -2.858  -1.345  -1.906  0.00  0.00    +0.026 A 
ATOM      7  N   LIG    1       -3.920  -2.200  -2.080  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -3.936  -2.838  -2.867  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -5.006  -2.287  -1.246  0.00  0.00    +0.257 A 
ATOM     10  C   LIG    1       -5.013  -1.367  -0.086  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -6.100  -1.397   0.796  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -6.112  -0.532   1.877  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1       -5.066   0.356   2.092  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.981   0.383   1.209  0.00  0.00    +0.012 A 
ATOM     15  F   LIG    1       -7.146  -0.549   2.728  0.00  0.00    -0.205 F 
ATOM     16  O   LIG    1       -5.919  -3.077  -1.454  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -1.775  -1.404  -2.946  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1       -3.932  -0.482   0.102  0.00  0.00    -0.006 A 
ATOM     19  C   LIG    1       -0.934  -0.132  -2.950  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   2  20
ATOM     20  C   LIG    1        1.042   1.382  -0.047  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.489   1.875   0.086  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.428   0.784   0.398  0.00  0.00    -0.302 NA
ATOM     23  C   LIG    1        3.358   0.326   1.793  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1        4.589   0.675   2.628  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        5.868   0.123   2.003  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        5.815   0.120   0.477  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        4.787   1.117  -0.052  0.00  0.00    +0.084 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 3