REMARK  Name = BDB023275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.186  -1.361   2.604  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.175  -0.714   3.293  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.468  -1.601   1.391  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.090  -2.151   0.453  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.825  -1.094   1.358  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.486  -1.123   0.155  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.728  -0.607   0.350  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.890  -0.239   1.675  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        5.122   0.308   2.051  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        6.134   0.470   1.099  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.940   0.100  -0.241  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        5.344   0.678   3.320  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.711  -0.463  -0.629  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.665  -0.555   2.321  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.979   0.259  -1.184  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        6.845   0.392  -2.610  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        8.295   0.901  -2.625  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        8.555   1.963  -3.425  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        8.061   1.204  -1.136  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -1.732  -1.869   2.941  0.00  0.00    +0.080 S 
ATOM     21  O   LIG    1       -1.710  -3.314   2.905  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.105  -1.167   4.152  0.00  0.00    -0.150 OA
BRANCH  20  27
ATOM     23  C   LIG    1       -4.351  -0.176  -0.394  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1       -3.351   0.596   0.210  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -2.559   0.070   1.232  0.00  0.00    +0.154 A 
ATOM     26  F   LIG    1       -1.626   0.860   1.782  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1       -2.735  -1.236   1.663  0.00  0.00    +0.179 A 
ATOM     28  C   LIG    1       -3.717  -2.014   1.078  0.00  0.00    +0.154 A 
ATOM     29  F   LIG    1       -3.952  -3.269   1.480  0.00  0.00    -0.203 F 
ATOM     30  C   LIG    1       -4.514  -1.493   0.058  0.00  0.00    +0.063 A 
BRANCH  23  31
ATOM     31  N   LIG    1       -5.168   0.304  -1.424  0.00  0.00    -0.330 N 
ATOM     32  C   LIG    1       -4.480   1.090  -2.454  0.00  0.00    +0.129 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -6.481   1.903   0.009  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1       -6.519   0.809  -1.058  0.00  0.00    +0.067 C 
ATOM     35  C   LIG    1       -7.466  -0.321  -0.656  0.00  0.00    +0.027 C 
ENDBRANCH  31  34
ENDBRANCH  23  31
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 6