REMARK  Name = BDB059581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.100   0.162   0.283  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -1.746  -0.197   0.469  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1       -0.865   0.696   1.123  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.344   1.940   1.562  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.670   2.304   1.343  0.00  0.00    +0.109 A 
ATOM      6  C   LIG    1       -3.543   1.425   0.706  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  S   LIG    1       -4.282   2.929   1.165  0.00  0.00    +0.312 S 
ATOM      8  F   LIG    1        0.529   0.561  -2.093  0.00  0.00    -0.093 F 
ATOM      9  F   LIG    1        0.529   0.561  -2.093  0.00  0.00    -0.093 F 
ATOM     10  F   LIG    1        0.529   0.561  -2.093  0.00  0.00    -0.093 F 
ATOM     11  F   LIG    1       -1.803  -1.949   3.276  0.00  0.00    -0.093 F 
ATOM     12  F   LIG    1        0.529   0.561  -2.093  0.00  0.00    -0.093 F 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     13  C   LIG    1       -4.806  -3.135  -0.884  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -4.021  -2.167  -0.124  0.00  0.00    -0.314 N 
ATOM     15  H   LIG    1       -3.442  -2.530   0.666  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -4.059  -0.753  -0.377  0.00  0.00    +0.247 C 
ATOM     17  O   LIG    1       -4.944  -0.274  -1.138  0.00  0.00    -0.270 OA
ENDBRANCH   1  16
BRANCH   2  18
ATOM     18  O   LIG    1       -1.284  -1.414  -0.042  0.00  0.00    -0.504 OA
ATOM     19  H   LIG    1       -0.314  -1.696  -0.011  0.00  0.00    +0.292 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  N   LIG    1        0.497   0.321   1.380  0.00  0.00    -0.213 N 
ATOM     21  H   LIG    1        0.707  -0.648   1.704  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        1.820   1.439   1.243  0.00  0.00    +0.076 S 
ATOM     23  O   LIG    1        2.200   1.892   2.624  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        1.396   2.623   0.419  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.211   0.685   0.449  0.00  0.00    +0.152 A 
ATOM     26  C   LIG    1        4.458   1.352   0.351  0.00  0.00    +0.162 A 
ATOM     27  C   LIG    1        5.539   0.712  -0.276  0.00  0.00    +0.085 A 
ATOM     28 CL   LIG    1        7.099   1.512  -0.399  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        5.385  -0.565  -0.822  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        4.153  -1.213  -0.748  0.00  0.00    +0.021 A 
ATOM     31 BR   LIG    1        3.940  -2.950  -1.515  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        3.073  -0.593  -0.118  0.00  0.00    +0.048 A 
BRANCH  26  33
ATOM     33  O   LIG    1        4.651   2.641   0.854  0.00  0.00    -0.503 OA
ATOM     34  H   LIG    1        3.916   3.195   1.272  0.00  0.00    +0.292 HD
ENDBRANCH  26  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 7