REMARK  Name = BDB003524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.721   0.359   0.667  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1        2.278   1.626   0.346  0.00  0.00    +0.121 C 
ATOM      3  S   LIG    1        3.169   3.030   0.236  0.00  0.00    -0.027 S 
ATOM      4  S   LIG    1        0.549   1.587   0.016  0.00  0.00    -0.061 S 
ATOM      5  C   LIG    1        0.445  -0.107   0.273  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.646  -0.882   0.212  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.785  -0.658   0.598  0.00  0.00    +0.258 C 
ATOM      8  O   LIG    1        2.011  -1.852   0.741  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.002  -0.406  -0.092  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1       -2.934  -0.106   0.919  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.213   0.358   0.549  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -4.575   0.517  -0.800  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.630   0.217  -1.789  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.359  -0.242  -1.439  0.00  0.00    +0.009 A 
BRANCH  10  15
ATOM     15  C   LIG    1       -2.590  -0.270   2.382  0.00  0.00    +0.418 C 
ATOM     16  F   LIG    1       -2.233  -1.546   2.697  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -1.554   0.520   2.776  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -3.623   0.037   3.217  0.00  0.00    -0.166 F 
ENDBRANCH  10  15
BRANCH  12  19
ATOM     19  C   LIG    1       -5.944   1.037  -1.173  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -6.916   0.634  -0.309  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -5.992   2.397  -1.187  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -6.351   0.633  -2.408  0.00  0.00    -0.166 F 
ENDBRANCH  12  19
ENDBRANCH   6   9
BRANCH   1  23
ATOM     23  C   LIG    1        4.106   0.013   1.002  0.00  0.00    +0.126 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.891  -0.441  -0.228  0.00  0.00    +0.140 C 
BRANCH  24  26
ATOM     25  O   LIG    1        6.790  -0.636   1.260  0.00  0.00    -0.251 OA
ATOM     26  C   LIG    1        6.305  -0.788   0.151  0.00  0.00    +0.306 C 
BRANCH  26  27
ATOM     27  O   LIG    1        7.014  -1.289  -0.886  0.00  0.00    -0.481 OA
ATOM     28  H   LIG    1        6.512  -1.365  -1.720  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7