REMARK  Name = BDB028803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729   0.782   0.180  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1       -1.200   0.286   1.398  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.450  -0.348   1.481  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -3.238  -0.450   0.323  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -2.789   0.062  -0.904  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -1.528   0.678  -0.962  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.952  -0.877   2.803  0.00  0.00    +0.417 C 
ATOM      8  F   LIG    1       -3.752  -1.971   2.668  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -1.951  -1.249   3.648  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.689   0.046   3.478  0.00  0.00    -0.166 F 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  C   LIG    1       -3.626  -0.051  -2.156  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1       -3.748   1.138  -2.809  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -3.092  -0.920  -3.058  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -4.896  -0.482  -1.923  0.00  0.00    -0.166 F 
ENDBRANCH   5  11
BRANCH   1  15
ATOM     15  S   LIG    1        0.868   1.570   0.115  0.00  0.00    -0.112 S 
BRANCH  15  22
ATOM     16  O   LIG    1        5.238  -0.530   1.224  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.225  -0.230   0.598  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1        3.125  -1.049   0.604  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        3.231  -1.917   1.111  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        1.981  -0.934  -0.149  0.00  0.00    +0.233 C 
ATOM     21  O   LIG    1        1.155  -1.845  -0.168  0.00  0.00    -0.274 OA
ATOM     22  C   LIG    1        1.791   0.364  -0.922  0.00  0.00    +0.138 C 
ATOM     23  C   LIG    1        3.149   0.919  -1.350  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        4.110   1.059  -0.177  0.00  0.00    +0.098 C 
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 4