REMARK  Name = BDB032589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.733  -3.725  -1.579  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        1.121  -3.089  -0.429  0.00  0.00    +0.074 S 
ATOM      3  O   LIG    1        0.627  -3.885   0.672  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        2.288  -1.901   0.183  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        3.131  -1.243  -0.719  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        4.075  -0.323  -0.253  0.00  0.00    +0.132 A 
ATOM      7  C   LIG    1        4.171  -0.080   1.120  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.336  -0.754   2.019  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        2.397  -1.671   1.554  0.00  0.00    +0.029 A 
BRANCH   6  10
ATOM     10  O   LIG    1        4.828   0.256  -1.234  0.00  0.00    -0.406 OA
BRANCH  10  11
ATOM     11  C   LIG    1        5.819   1.192  -0.845  0.00  0.00    +0.575 C 
ATOM     12  F   LIG    1        6.450   1.639  -1.953  0.00  0.00    -0.133 F 
ATOM     13  F   LIG    1        6.739   0.621  -0.039  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1        5.266   2.253  -0.220  0.00  0.00    -0.133 F 
ENDBRANCH  10  11
ENDBRANCH   6  10
ENDBRANCH   2   4
BRANCH   2  15
ATOM     15  N   LIG    1       -0.110  -2.150  -1.048  0.00  0.00    -0.197 N 
ATOM     16  H   LIG    1       -0.236  -2.240  -2.051  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -0.936  -1.333  -0.299  0.00  0.00    +0.181 A 
ATOM     18  N   LIG    1       -0.807  -1.108   1.008  0.00  0.00    -0.061 NA
ATOM     19  O   LIG    1       -1.819  -0.231   1.344  0.00  0.00    -0.353 OA
ATOM     20  C   LIG    1       -2.554   0.075   0.236  0.00  0.00    +0.169 A 
ATOM     21  C   LIG    1       -2.020  -0.605  -0.835  0.00  0.00    +0.097 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.669   0.999   0.423  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.973   1.533   1.685  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -5.042   2.417   1.854  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.826   2.781   0.762  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.541   2.261  -0.498  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.471   1.377  -0.666  0.00  0.00    +0.011 A 
ENDBRANCH  20  22
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6