REMARK  Name = BDB065338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.236   0.962  -3.360  0.00  0.00    -0.182 NA
ATOM      2  H   LIG    1       -0.479   1.696  -3.364  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1       -0.386  -0.583  -3.546  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1        0.688  -1.422  -4.029  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1       -1.637  -0.453  -4.258  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -0.753  -1.077  -1.881  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1       -1.792  -0.445  -1.193  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -2.043  -0.766   0.149  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -1.255  -1.753   0.788  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -1.502  -2.063   2.135  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -2.506  -1.402   2.846  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.280  -0.432   2.219  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.239  -2.401   0.066  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.052  -0.117   0.878  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        0.014  -2.067  -1.265  0.00  0.00    +0.029 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        1.359   1.184  -2.434  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -0.269   2.401  -1.148  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1        0.788   1.765  -1.150  0.00  0.00    +0.181 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.490   1.533   0.136  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        2.853   1.261   0.198  0.00  0.00    +0.169 A 
ATOM     21  F   LIG    1        3.601   1.233  -0.914  0.00  0.00    -0.202 F 
ATOM     22  C   LIG    1        3.463   1.038   1.429  0.00  0.00    +0.159 A 
ATOM     23  F   LIG    1        4.778   0.785   1.488  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1        2.728   1.076   2.609  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        1.363   1.355   2.558  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        0.747   1.592   1.326  0.00  0.00    +0.014 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5