REMARK  Name = BDB059609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.507  -0.092  -0.830  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.459  -0.973  -1.200  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -0.294  -0.460  -1.807  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -0.186   0.918  -2.045  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.214   1.781  -1.675  0.00  0.00    +0.110 A 
ATOM      6  C   LIG    1       -2.364   1.283  -1.070  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  S   LIG    1       -1.727   4.027  -1.739  0.00  0.00    +0.312 S 
ATOM      8  F   LIG    1       -0.302   0.508   1.664  0.00  0.00    -0.093 F 
ATOM      9  F   LIG    1       -0.302   0.509   1.664  0.00  0.00    -0.093 F 
ATOM     10  F   LIG    1       -0.302   0.507   1.664  0.00  0.00    -0.093 F 
ATOM     11  F   LIG    1       -0.302   0.510   1.663  0.00  0.00    -0.093 F 
ATOM     12  F   LIG    1       -0.302   0.508   1.664  0.00  0.00    -0.093 F 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     13  C   LIG    1       -3.591  -1.141   1.650  0.00  0.00    +0.200 C 
ATOM     14  S   LIG    1       -3.975  -0.661  -0.021  0.00  0.00    -0.002 S 
ATOM     15  O   LIG    1       -4.997   0.440   0.025  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1       -4.565  -1.820  -0.775  0.00  0.00    -0.170 OA
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1       -1.530  -2.348  -0.962  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -2.309  -2.803  -0.509  0.00  0.00    +0.292 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  N   LIG    1        0.767  -1.352  -2.187  0.00  0.00    -0.213 N 
ATOM     20  H   LIG    1        0.550  -2.356  -2.375  0.00  0.00    +0.174 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.440  -0.932  -2.012  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1        2.841   0.032  -3.092  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        3.274  -2.174  -2.161  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.711  -0.269  -0.395  0.00  0.00    +0.152 A 
ATOM     25  C   LIG    1        2.935   1.107  -0.175  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1        3.123   1.578   1.141  0.00  0.00    +0.085 A 
ATOM     27 CL   LIG    1        3.396   3.282   1.481  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        3.087   0.685   2.216  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        2.858  -0.674   1.996  0.00  0.00    +0.021 A 
ATOM     30 BR   LIG    1        2.780  -1.881   3.473  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        2.668  -1.147   0.697  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     32  O   LIG    1        2.967   1.985  -1.260  0.00  0.00    -0.503 OA
ATOM     33  H   LIG    1        3.118   2.980  -1.160  0.00  0.00    +0.292 HD
ENDBRANCH  25  32
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7