REMARK  Name = BDB025358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.436   0.053  -0.764  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -3.436   1.162  -0.643  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -2.109   0.610  -0.209  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1       -1.015   1.358  -0.085  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.012   0.474   0.242  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -0.565  -0.785   0.556  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        1.324   0.945   0.174  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1        1.528   2.156   0.108  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.890  -0.721   0.194  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -2.991  -1.718   0.222  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1       -4.351  -0.996   0.295  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.413  -0.117   0.107  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.809   0.406   0.453  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.931  -0.011  -0.291  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        6.198   0.503   0.029  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        6.374   1.345   1.127  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        5.276   1.693   1.896  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        5.441   2.486   2.963  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1        4.806  -0.825  -1.425  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        5.655  -1.345  -1.630  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        3.595  -1.621  -1.510  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        4.004   1.233   1.575  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        2.385  -0.732  -1.301  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  25
ATOM     24  C   LIG    1       -6.652   1.347   0.124  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1       -5.971   0.505  -1.293  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1       -6.741  -0.704  -1.493  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1       -5.813   1.476  -2.352  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   6  28
ATOM     28  N   LIG    1        0.094  -1.836   1.115  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        0.705  -1.651   1.912  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -0.462  -2.664   1.331  0.00  0.00    +0.144 HD
ENDBRANCH   6  28
TORSDOF 3