REMARK  Name = BDB033487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.276  -0.056  -0.367  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1        0.554   0.926  -0.419  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.357   0.489   0.641  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -3.508  -0.009  -0.387  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -2.186   0.125   0.061  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -1.088  -0.280  -0.718  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -1.346  -0.791  -1.996  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -2.650  -0.946  -2.462  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1       -2.252   0.685   1.322  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -1.444   0.850   1.917  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -3.726  -0.561  -1.664  0.00  0.00    +0.134 A 
ATOM     12  F   LIG    1       -4.970  -0.710  -2.137  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.555   0.909   1.680  0.00  0.00    +0.102 A 
BRANCH   3  15
ATOM     14  N   LIG    1       -6.944   0.622   0.642  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1       -5.785   0.554   0.630  0.00  0.00    +0.101 C 
ENDBRANCH   3  15
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  S   LIG    1        0.823  -0.747   1.086  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        0.317   0.087   2.161  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.589  -2.174   1.045  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.591  -0.521   1.118  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        3.488  -1.387   2.280  0.00  0.00    -0.055 S 
ATOM     21  C   LIG    1        4.921  -0.648   1.696  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1        4.635   0.228   0.658  0.00  0.00    +0.153 A 
ATOM     23  N   LIG    1        3.271   0.299   0.337  0.00  0.00    -0.216 NA
BRANCH  22  24
ATOM     24  C   LIG    1        5.646   1.052  -0.093  0.00  0.00    +0.435 C 
ATOM     25  F   LIG    1        5.300   2.364  -0.141  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        5.791   0.629  -1.375  0.00  0.00    -0.164 F 
ATOM     27  F   LIG    1        6.877   0.993   0.480  0.00  0.00    -0.164 F 
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5