REMARK  Name = BDB025395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.243  -0.515  -0.247  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        2.994   0.167  -0.712  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        1.816  -0.310   0.088  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        0.554   0.037  -0.181  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.191  -0.607   0.775  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.630  -1.302   1.672  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.601  -0.535   0.772  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -2.235  -1.150   1.628  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.917  -1.129   1.234  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        3.223  -1.615   1.744  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        4.354  -0.704   1.232  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.196   0.342  -0.323  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.603  -0.092  -0.737  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -4.628   0.860  -0.912  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -5.915   0.408  -1.280  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1       -6.163  -0.941  -1.539  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -5.133  -1.867  -1.422  0.00  0.00    +0.002 A 
ATOM     18 CL   LIG    1       -7.224   1.527  -1.466  0.00  0.00    -0.082 Cl
ATOM     19  N   LIG    1       -4.409   2.220  -0.611  0.00  0.00    -0.342 N 
ATOM     20  H   LIG    1       -5.086   2.815  -1.089  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -3.034   2.670  -0.705  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.862  -1.446  -1.029  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -2.167   1.794   0.176  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  25
ATOM     24  C   LIG    1        6.027   1.518  -0.493  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1        5.649  -0.120  -1.089  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        5.313  -0.014  -2.492  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        6.700  -1.004  -0.633  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   6  28
ATOM     28  N   LIG    1        0.162  -1.985   2.742  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        0.721  -2.696   3.205  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -0.849  -2.139   2.837  0.00  0.00    +0.144 HD
ENDBRANCH   6  28
TORSDOF 3