REMARK  Name = BDB060119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.738   0.428  -0.055  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -2.003  -0.327  -0.979  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.622  -0.477  -0.829  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.053   0.130   0.238  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1       -0.685   0.871   1.165  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -2.067   1.025   1.020  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        1.437  -0.029   0.431  0.00  0.00    -0.149 NA
ATOM      8  N   LIG    1        2.075   0.422  -0.546  0.00  0.00    -0.149 NA
BRANCH   8   9
ATOM      9  C   LIG    1        3.460   0.277  -0.343  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        4.271   1.415  -0.328  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        5.655   1.304  -0.158  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        6.256   0.044  -0.016  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        5.442  -1.099  -0.035  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        4.059  -0.981  -0.206  0.00  0.00    +0.030 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.747  -0.077   0.191  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1        8.453   0.920  -0.412  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        8.261  -1.241  -0.295  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        8.092  -0.036   1.507  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -4.233   0.580  -0.211  0.00  0.00    +0.059 C 
BRANCH  19  23
ATOM     20  O   LIG    1       -7.448  -0.940   3.168  0.00  0.00    -0.263 OA
ATOM     21  C   LIG    1       -6.803  -0.873   2.137  0.00  0.00    +0.279 C 
ATOM     22  S   LIG    1       -5.062  -0.829   2.078  0.00  0.00    -0.054 S 
ATOM     23  C   LIG    1       -5.022  -0.645   0.259  0.00  0.00    +0.146 C 
ATOM     24  C   LIG    1       -6.477  -0.527  -0.146  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.872  -0.241  -1.268  0.00  0.00    -0.274 OA
ATOM     26  N   LIG    1       -7.321  -0.785   0.891  0.00  0.00    -0.246 N 
ATOM     27  H   LIG    1       -8.319  -0.708   0.771  0.00  0.00    +0.158 HD
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5