REMARK  Name = BDB029751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.506  -1.656  -1.337  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        1.369  -1.418  -0.138  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1        0.172  -1.649   0.515  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.035  -1.190   1.406  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.497  -0.857   0.651  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.383  -0.531   2.001  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        1.220  -0.712   2.647  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.476  -0.013   2.690  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        3.344   0.387   4.360  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.691   0.189   2.033  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.844  -0.118   0.667  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.726  -0.649  -0.004  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.139   0.101  -0.011  0.00  0.00    +0.071 A 
ATOM     14  N   LIG    1        7.235  -0.010   0.783  0.00  0.00    -0.255 NA
ATOM     15  C   LIG    1        8.449   0.175   0.218  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        8.639   0.477  -1.118  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.516   0.599  -1.923  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        6.251   0.411  -1.367  0.00  0.00    +0.028 A 
ENDBRANCH  11  13
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  N   LIG    1       -1.048  -1.861  -0.395  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.735  -1.982  -1.373  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.170  -0.563  -0.332  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.081  -0.016   1.005  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.911   0.238  -1.506  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.696  -1.476  -0.536  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.994  -0.660  -0.438  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -5.250  -0.055   0.957  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.198   1.469   0.963  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -6.192   2.081  -0.024  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.357   1.272  -1.311  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -5.159   0.365  -1.573  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6