REMARK  Name = BDB022071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.633  -1.892  -1.592  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        3.175  -1.013  -0.867  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        1.849  -0.962  -0.426  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.026  -2.141  -0.686  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -0.450  -1.794  -0.837  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1       -0.944  -0.973   0.359  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -0.079   0.284   0.511  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1        1.394  -0.078   0.649  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.394  -0.607   0.188  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1       -3.589  -1.307   1.204  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -4.813  -0.420   0.381  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -4.219   0.353  -0.618  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -5.040   1.166  -1.425  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -6.422   1.186  -1.214  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.993   0.408  -0.212  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.201  -0.407   0.602  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1       -2.842   0.237  -0.716  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1        4.084   0.081  -0.493  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        4.880   0.011   0.656  0.00  0.00    +0.056 A 
ATOM     20 CL   LIG    1        4.813  -1.327   1.744  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        5.747   1.062   0.956  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        5.814   2.159   0.103  0.00  0.00    +0.125 A 
ATOM     23  F   LIG    1        6.646   3.167   0.394  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        5.034   2.231  -1.048  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.165   1.185  -1.353  0.00  0.00    +0.017 A 
ENDBRANCH   2  18
TORSDOF 2