REMARK  Name = BDB023126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.213  -1.188  -1.266  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.759  -1.945  -1.762  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.509  -0.176  -0.603  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.073   0.670   0.076  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.928  -0.274  -0.774  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.723   0.525   0.012  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.019   0.273  -0.315  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.082  -0.685  -1.313  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.348  -1.060  -1.778  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.494  -0.472  -1.231  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.405   0.486  -0.208  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.473  -1.984  -2.742  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.137   0.881   0.259  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.737  -1.035  -1.605  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.572   1.075   0.333  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.737   1.559   1.677  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.244   1.550   1.405  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.912   0.558   0.285  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.857  -1.159  -1.512  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.128  -2.368  -2.263  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.169   0.147  -2.047  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.889  -0.928   0.348  0.00  0.00    +0.148 A 
ATOM     23  C   LIG    1       -3.587  -1.371   0.086  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -2.865  -2.052   1.083  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -3.445  -2.293   2.329  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.755  -1.887   2.576  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.478  -1.225   1.582  0.00  0.00    +0.048 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -5.687  -0.346  -0.599  0.00  0.00    -0.478 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -6.094   1.547  -1.976  0.00  0.00    +0.061 C 
ATOM     30  C   LIG    1       -5.660   1.106  -0.575  0.00  0.00    +0.274 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.613   1.726   0.456  0.00  0.00    +0.426 C 
ATOM     32  F   LIG    1       -6.706   3.068   0.289  0.00  0.00    -0.167 F 
ATOM     33  F   LIG    1       -6.193   1.527   1.727  0.00  0.00    -0.167 F 
ATOM     34  F   LIG    1       -7.865   1.223   0.356  0.00  0.00    -0.167 F 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  22  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7