REMARK  Name = BDB023204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.784   0.069  -0.757  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -5.398   0.932   0.162  0.00  0.00    +0.156 A 
ATOM      3  C   LIG    1       -4.625   1.542   1.158  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.248   1.321   1.212  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.656   0.466   0.285  0.00  0.00    +0.134 A 
ATOM      6  C   LIG    1       -3.404  -0.151  -0.714  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -5.730  -0.731  -2.023  0.00  0.00    +0.060 S 
ATOM      8  O   LIG    1       -4.821  -1.424  -2.905  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -6.714   0.204  -2.518  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1       -6.574  -1.901  -1.156  0.00  0.00    -0.203 NA
ATOM     11  H   LIG    1       -7.571  -1.681  -1.182  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -6.235  -2.028  -0.203  0.00  0.00    +0.144 HD
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  O   LIG    1       -6.756   1.092   0.149  0.00  0.00    -0.404 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -7.153   2.443  -0.094  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1       -6.409   3.018  -1.061  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1       -7.045   3.169   1.040  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1       -8.448   2.453  -0.475  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH   2  13
BRANCH   5  18
ATOM     18  O   LIG    1       -1.277   0.268   0.336  0.00  0.00    -0.420 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -0.915  -0.891   1.019  0.00  0.00    +0.380 C 
ATOM     20  O   LIG    1       -1.696  -1.677   1.547  0.00  0.00    -0.241 OA
BRANCH  19  21
ATOM     21  C   LIG    1        0.522  -1.031   1.019  0.00  0.00    +0.213 A 
ATOM     22  O   LIG    1        1.305  -0.087   0.405  0.00  0.00    -0.448 OA
ATOM     23  C   LIG    1        2.602  -0.471   0.559  0.00  0.00    +0.140 A 
ATOM     24  C   LIG    1        2.670  -1.658   1.272  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        3.939  -2.191   1.524  0.00  0.00    +0.136 A 
ATOM     26  C   LIG    1        5.080  -1.530   1.057  0.00  0.00    +0.062 A 
ATOM     27  C   LIG    1        4.983  -0.336   0.326  0.00  0.00    +0.036 A 
ATOM     28  F   LIG    1        4.076  -3.331   2.215  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        3.714   0.218   0.076  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        1.329  -2.014   1.565  0.00  0.00    +0.068 A 
BRANCH  27  31
ATOM     31  N   LIG    1        6.148   0.323  -0.127  0.00  0.00    -0.330 N 
ATOM     32  C   LIG    1        6.256   1.233  -1.233  0.00  0.00    +0.106 C 
ATOM     33  C   LIG    1        7.771   1.028  -1.143  0.00  0.00    +0.038 C 
ATOM     34  C   LIG    1        7.429  -0.267  -0.400  0.00  0.00    +0.106 C 
ENDBRANCH  27  31
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 8