REMARK  Name = BDB023377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.102   0.488  -1.420  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        1.607  -0.558  -1.026  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        2.385  -1.686  -0.746  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        2.020  -2.473  -0.222  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.195  -0.750  -0.761  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.623   0.349  -0.844  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -1.889  -0.052  -0.558  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1       -1.912  -1.410  -0.290  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.147  -1.990   0.019  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -4.299  -1.197   0.053  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.258   0.184  -0.212  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1       -3.238  -3.300   0.284  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.017   0.769  -0.535  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -0.570  -1.856  -0.423  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -5.518   1.017  -0.185  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -6.387   1.035   1.052  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -5.592   2.251   0.685  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  S   LIG    1        4.028  -1.752  -0.950  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        4.304  -1.550  -2.356  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        4.472  -2.960  -0.288  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.672  -0.381  -0.035  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        4.425  -0.228   1.333  0.00  0.00    +0.069 A 
ATOM     23 CL   LIG    1        3.446  -1.308   2.260  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        4.970   0.867   2.014  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        5.754   1.797   1.331  0.00  0.00    +0.042 A 
ATOM     26 CL   LIG    1        6.418   3.138   2.179  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        6.002   1.648  -0.030  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        5.462   0.558  -0.716  0.00  0.00    +0.032 A 
ENDBRANCH  18  21
ENDBRANCH   3  18
TORSDOF 4