REMARK  Name = BDB059575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.477   1.304  -0.250  0.00  0.00    +0.103 A 
ATOM      2  C   LIG    1       -1.421   1.403   0.691  0.00  0.00    +0.153 A 
ATOM      3  C   LIG    1       -0.878   0.231   1.269  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.367  -1.024   0.873  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.391  -1.120  -0.063  0.00  0.00    +0.109 A 
ATOM      6  C   LIG    1       -2.949   0.029  -0.614  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   5   7
ATOM      7  S   LIG    1       -3.339  -2.009  -0.880  0.00  0.00    +0.312 S 
ATOM      8  F   LIG    1       -0.018  -0.246  -2.234  0.00  0.00    -0.093 F 
ATOM      9  F   LIG    1       -3.919   0.591   2.886  0.00  0.00    -0.093 F 
ATOM     10  F   LIG    1       -0.017  -0.246  -2.234  0.00  0.00    -0.093 F 
ATOM     11  F   LIG    1       -0.018  -0.246  -2.234  0.00  0.00    -0.093 F 
ATOM     12  F   LIG    1       -0.018  -0.246  -2.234  0.00  0.00    -0.093 F 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     13  O   LIG    1       -3.975   2.382  -1.760  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1       -3.087   2.508  -0.873  0.00  0.00    +0.340 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.700   3.789  -0.490  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -3.117   4.609  -0.914  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1       -0.908   2.662   1.018  0.00  0.00    -0.504 OA
ATOM     18  H   LIG    1       -0.090   2.798   1.596  0.00  0.00    +0.292 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  N   LIG    1        0.132   0.314   2.288  0.00  0.00    -0.213 N 
ATOM     20  H   LIG    1        0.112   1.093   2.982  0.00  0.00    +0.174 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.470  -0.786   2.359  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1        2.553  -0.204   3.223  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        1.017  -2.081   2.974  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.114  -1.049   0.734  0.00  0.00    +0.151 A 
ATOM     25  C   LIG    1        2.692   0.005  -0.014  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1        3.210  -0.255  -1.288  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        3.142  -1.538  -1.834  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        2.553  -2.575  -1.109  0.00  0.00    +0.020 A 
ATOM     29 BR   LIG    1        2.441  -4.325  -1.866  0.00  0.00    -0.050 Br
ATOM     30  C   LIG    1        2.044  -2.333   0.169  0.00  0.00    +0.047 A 
BRANCH  25  31
ATOM     31  O   LIG    1        2.762   1.313   0.469  0.00  0.00    -0.505 OA
ATOM     32  H   LIG    1        2.385   1.597   1.363  0.00  0.00    +0.292 HD
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8