REMARK  Name = BDB035262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.896  -2.945  -0.537  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        1.333  -2.834   0.793  0.00  0.00    +0.072 S 
ATOM      3  O   LIG    1        1.022  -4.013   1.572  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.136  -1.837   0.706  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -0.348  -1.004  -0.398  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -1.492  -0.197  -0.455  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.701   0.720  -1.626  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1       -2.760   1.760  -1.297  0.00  0.00    +0.055 C 
ATOM      9  C   LIG    1       -3.967   1.107  -0.622  0.00  0.00    +0.239 C 
ATOM     10  O   LIG    1       -3.587   0.462   0.611  0.00  0.00    -0.483 OA
ATOM     11  C   LIG    1       -2.434  -0.274   0.578  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1       -2.224  -1.120   1.668  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -1.077  -1.910   1.735  0.00  0.00    +0.032 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.727   0.135  -1.528  0.00  0.00    +0.381 C 
ATOM     15  F   LIG    1       -4.957   0.709  -2.737  0.00  0.00    -0.205 F 
ATOM     16  F   LIG    1       -5.951  -0.122  -0.993  0.00  0.00    -0.205 F 
ENDBRANCH   9  14
ENDBRANCH   2   4
BRANCH   2  17
ATOM     17  N   LIG    1        2.375  -1.907   1.745  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1        2.308  -2.173   2.727  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.585  -0.529   1.450  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        3.103  -0.066   0.228  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1        3.290   1.299  -0.056  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        3.820   1.360  -1.385  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1        3.942   0.075  -1.859  0.00  0.00    +0.103 A 
ATOM     24 CL   LIG    1        4.235   2.749  -2.275  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        2.929   2.212   0.960  0.00  0.00    +0.052 A 
ATOM     26 CL   LIG    1        3.124   3.883   0.660  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        2.422   1.778   2.186  0.00  0.00    +0.022 A 
ATOM     28  N   LIG    1        3.520  -0.775  -0.880  0.00  0.00    -0.358 N 
ATOM     29  H   LIG    1        3.448  -1.786  -0.962  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1        2.257   0.419   2.427  0.00  0.00    +0.028 A 
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 4