REMARK  Name = BDB033486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.309  -1.377   1.686  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1       -1.857  -1.803   2.435  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.872  -1.547   0.387  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.719  -0.578  -0.614  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -2.246  -0.737  -1.900  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -1.918   0.438  -2.634  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1       -1.207   1.272  -1.797  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -2.936  -1.929  -2.190  0.00  0.00    +0.134 A 
ATOM      9  F   LIG    1       -3.458  -2.133  -3.407  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.081  -2.917  -1.216  0.00  0.00    +0.041 A 
ATOM     11  N   LIG    1       -1.095   0.650  -0.582  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1       -0.580   1.000   0.223  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -2.550  -2.728   0.059  0.00  0.00    +0.029 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -2.243   0.728  -3.996  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -2.491   0.989  -5.099  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        0.298  -1.897   1.890  0.00  0.00    +0.091 S 
ATOM     17  O   LIG    1        0.537  -1.935   3.317  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.544  -3.055   1.056  0.00  0.00    -0.148 OA
BRANCH  16  23
ATOM     19  C   LIG    1        2.177   1.255   0.745  0.00  0.00    +0.109 A 
ATOM     20  N   LIG    1        3.198   0.344   0.604  0.00  0.00    -0.347 N 
ATOM     21  H   LIG    1        4.139   0.556   0.299  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1        2.722  -0.885   0.961  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1        1.404  -0.677   1.311  0.00  0.00    +0.215 A 
ATOM     24  N   LIG    1        1.073   0.666   1.162  0.00  0.00    -0.213 NA
BRANCH  19  26
ATOM     25  C   LIG    1        2.742   3.481   1.698  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        2.357   2.705   0.450  0.00  0.00    +0.071 C 
ENDBRANCH  19  26
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 5