REMARK  Name = BDB049568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.074  -0.022  -0.798  0.00  0.00    +0.044 A 
ATOM      2  N   LIG    1        0.114   0.666  -1.041  0.00  0.00    -0.215 N 
ATOM      3  C   LIG    1       -0.041   2.025  -0.788  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -1.385   2.207  -0.438  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -1.860   3.499  -0.134  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -0.983   4.582  -0.183  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        0.348   4.400  -0.530  0.00  0.00    +0.022 A 
ATOM      8 CL   LIG    1       -1.560   6.159   0.192  0.00  0.00    -0.084 Cl
ATOM      9  C   LIG    1        0.839   3.125  -0.838  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -2.014   0.936  -0.462  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2  11
ATOM     11  S   LIG    1        1.622  -0.094  -1.392  0.00  0.00    +0.084 S 
ATOM     12  O   LIG    1        1.303  -1.212  -2.258  0.00  0.00    -0.148 OA
ATOM     13  O   LIG    1        2.550   0.936  -1.813  0.00  0.00    -0.148 OA
BRANCH  11  14
ATOM     14  C   LIG    1        2.169  -0.709   0.178  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        2.364  -2.082   0.354  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        2.786  -2.563   1.593  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.022  -1.675   2.643  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.843  -0.304   2.459  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.419   0.186   1.223  0.00  0.00    +0.029 A 
ENDBRANCH  11  14
ENDBRANCH   2  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.232  -1.516  -0.917  0.00  0.00    +0.066 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.579  -2.035  -0.412  0.00  0.00    +0.126 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -1.678  -4.277  -0.657  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -2.632  -3.543  -0.455  0.00  0.00    +0.305 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.873  -4.024  -0.209  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1       -4.546  -3.335  -0.054  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6