REMARK  Name = BDB023258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.356  -1.807   0.774  0.00  0.00    -0.177 N 
ATOM      2  H   LIG    1        0.194  -2.466   1.310  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.205  -0.644   0.230  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.485   0.222  -0.288  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.651  -0.601   0.317  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.279   0.533  -0.139  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.617   0.364   0.030  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.875  -0.874   0.593  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        5.212  -1.210   0.838  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        6.229  -0.308   0.512  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.941   0.937  -0.068  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        5.527  -2.392   1.386  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.602   1.292  -0.308  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.609  -1.492   0.774  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.983   1.839  -0.378  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        8.354   1.520  -0.665  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.480   2.944  -1.217  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.955   2.897  -1.350  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.982  -1.962   1.062  0.00  0.00    +0.095 S 
ATOM     20  O   LIG    1       -2.155  -3.336   1.484  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1       -2.368  -0.860   1.912  0.00  0.00    -0.148 OA
BRANCH  19  30
ATOM     22  C   LIG    1       -6.222  -0.914   0.323  0.00  0.00    +0.062 A 
ATOM     23  N   LIG    1       -5.003  -1.242   0.627  0.00  0.00    -0.168 NA
ATOM     24  N   LIG    1       -4.201  -1.499  -0.447  0.00  0.00    -0.192 N 
ATOM     25  C   LIG    1       -4.589  -1.486  -1.777  0.00  0.00    +0.158 A 
ATOM     26  N   LIG    1       -3.611  -1.855  -2.571  0.00  0.00    -0.213 NA
ATOM     27  C   LIG    1       -2.552  -2.093  -1.732  0.00  0.00    +0.177 A 
ATOM     28 CL   LIG    1       -1.066  -2.658  -2.348  0.00  0.00    -0.058 Cl
ATOM     29  C   LIG    1       -5.920  -1.117  -2.068  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1       -2.873  -1.844  -0.414  0.00  0.00    +0.237 A 
ATOM     31  C   LIG    1       -6.756  -0.824  -1.066  0.00  0.00    +0.028 A 
BRANCH  22  32
ATOM     32  C   LIG    1       -7.183  -0.598   1.456  0.00  0.00    +0.057 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -7.041   1.933   1.316  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -6.815   0.698   2.176  0.00  0.00    +0.003 C 
ENDBRANCH  32  34
ENDBRANCH  22  32
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 6