REMARK  Name = BDB045760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.553  -2.699  -0.203  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.156  -1.317  -0.214  0.00  0.00    -0.042 A 
ATOM      3  C   LIG    1       -1.385  -0.093  -0.124  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -2.150   1.103  -0.181  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -1.476   2.318  -0.119  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -0.157   2.490  -0.010  0.00  0.00    -0.212 NA
ATOM      7  C   LIG    1        0.592   1.397   0.055  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        1.958   1.629   0.170  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        2.905   0.599   0.254  0.00  0.00    +0.087 A 
ATOM     10  C   LIG    1        2.413  -0.700   0.244  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1        1.036  -0.962   0.120  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -3.555   1.090  -0.297  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -4.261  -0.098  -0.366  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.070   0.075   0.013  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -3.565  -1.291  -0.326  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        4.370   0.925   0.351  0.00  0.00    +0.420 C 
ATOM     17  F   LIG    1        4.652   2.189  -0.074  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        4.843   0.853   1.621  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.145   0.111  -0.412  0.00  0.00    -0.166 F 
ENDBRANCH   9  16
BRANCH  10  20
ATOM     20  N   LIG    1        3.307  -1.845   0.377  0.00  0.00    +0.057 N 
ATOM     21  O   LIG    1        3.181  -2.754  -0.452  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        4.098  -1.832   1.325  0.00  0.00    -0.126 OA
ENDBRANCH  10  20
BRANCH   5  23
ATOM     23  O   LIG    1       -2.138   3.506  -0.170  0.00  0.00    -0.492 OA
ATOM     24  H   LIG    1       -1.386   4.121  -0.106  0.00  0.00    +0.294 HD
ENDBRANCH   5  23
TORSDOF 3