REMARK  Name = BDB023124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.810   0.153  -2.375  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.134  -0.559  -1.731  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.300   0.949  -2.059  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.607   1.938  -2.706  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.020   0.482  -0.888  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.046   1.266  -0.418  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.574   0.652   0.672  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.904  -0.532   0.925  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.322  -1.294   2.023  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.385  -0.850   2.816  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.055   0.350   2.532  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        1.710  -2.447   2.323  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.637   1.131   1.439  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.906  -0.639  -0.079  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.118   0.787   3.353  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        5.986  -0.026   4.158  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        6.905   1.196   4.251  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.182   1.683   2.991  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.902   0.595  -3.548  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.262   0.432  -4.835  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.561   1.820  -3.156  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.650  -1.067  -2.174  0.00  0.00    +0.148 A 
ATOM     23  C   LIG    1       -3.136  -0.680  -3.416  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.559  -1.323  -4.587  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -4.478  -2.369  -4.512  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.958  -2.785  -3.272  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.534  -2.146  -2.105  0.00  0.00    +0.048 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -3.219  -0.514  -0.998  0.00  0.00    -0.478 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -3.124   1.561   0.170  0.00  0.00    +0.061 C 
ATOM     30  C   LIG    1       -4.056   0.595  -0.563  0.00  0.00    +0.274 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.175   0.158   0.390  0.00  0.00    +0.426 C 
ATOM     32  F   LIG    1       -6.101  -0.606  -0.231  0.00  0.00    -0.167 F 
ATOM     33  F   LIG    1       -5.829   1.228   0.901  0.00  0.00    -0.167 F 
ATOM     34  F   LIG    1       -4.691  -0.557   1.432  0.00  0.00    -0.167 F 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  22  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7