REMARK  Name = BDB065330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.741   0.615  -2.788  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -0.005  -0.325  -3.594  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        1.587   1.627  -3.379  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.724  -0.288  -1.621  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        2.596   0.414  -0.782  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.382  -0.278   0.151  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        3.288  -1.689   0.229  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.077  -2.377   1.165  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        4.945  -1.685   2.011  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.037  -0.299   1.934  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.413  -2.373  -0.632  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.260   0.402   1.009  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        1.633  -1.678  -1.557  0.00  0.00    +0.029 A 
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1       -0.333   1.402  -1.790  0.00  0.00    -0.182 NA
ATOM     15  H   LIG    1       -0.414   2.414  -1.913  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.510   0.688  -1.287  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -2.102   2.876  -0.468  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1       -2.329   1.663  -0.454  0.00  0.00    +0.181 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.440   1.148   0.394  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1       -3.901  -0.167   0.317  0.00  0.00    +0.134 A 
ATOM     21  F   LIG    1       -3.367  -1.043  -0.544  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.945  -0.608   1.129  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -5.544   0.269   2.032  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -5.098   1.587   2.117  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.052   2.026   1.301  0.00  0.00    +0.014 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5