REMARK  Name = BDB065336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.718  -2.435  -0.963  0.00  0.00    -0.182 NA
ATOM      2  H   LIG    1       -1.122  -3.288  -1.351  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1       -0.750  -1.249  -2.170  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1       -0.990  -1.982  -3.394  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1        0.401  -0.386  -2.021  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -2.208  -0.332  -1.766  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1       -2.203   0.504  -0.646  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -3.344   1.250  -0.317  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -4.494   1.161  -1.137  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -5.632   1.914  -0.806  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -5.638   2.740   0.319  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.508   2.826   1.127  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.474   0.324  -2.267  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.367   2.086   0.811  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.336  -0.420  -2.583  0.00  0.00    +0.029 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.612  -2.671  -0.356  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1        0.204  -0.930   1.270  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1        1.021  -1.576   0.614  0.00  0.00    +0.179 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.473  -1.294   0.802  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        2.845  -0.037   1.298  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1        4.190   0.288   1.504  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        5.169  -0.663   1.213  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.804  -1.923   0.726  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        3.461  -2.243   0.522  0.00  0.00    +0.011 A 
BRANCH  21  25
ATOM     25  O   LIG    1        4.399   1.548   1.984  0.00  0.00    -0.406 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.734   1.956   2.226  0.00  0.00    +0.575 C 
ATOM     27  F   LIG    1        5.724   3.224   2.694  0.00  0.00    -0.133 F 
ATOM     28  F   LIG    1        6.321   1.171   3.155  0.00  0.00    -0.133 F 
ATOM     29  F   LIG    1        6.465   1.933   1.090  0.00  0.00    -0.133 F 
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7