REMARK  Name = BDB060806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.623  -0.092  -0.256  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1        0.522   1.414   0.090  0.00  0.00    +0.135 C 
ATOM      3  C   LIG    1       -0.839   2.041   0.286  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -1.042   3.034  -0.673  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.204   3.773  -0.749  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -3.200   3.501   0.191  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.009   2.515   1.174  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1        0.068   3.151  -1.492  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        0.176   3.800  -2.257  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -1.820   1.781   1.232  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        1.061   2.249  -1.134  0.00  0.00    +0.243 C 
ATOM     12  O   LIG    1        2.149   2.140  -1.679  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        1.412   1.672   1.254  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1        0.869   1.600   2.117  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1        2.428   0.568   1.233  0.00  0.00    +0.168 C 
ATOM     16  C   LIG    1        1.586  -0.648   0.820  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -3.897  -2.378  -1.224  0.00  0.00    +0.071 C 
ATOM     18  C   LIG    1       -2.630  -1.836  -0.676  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -1.634  -1.050  -1.308  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -0.684  -0.829  -0.330  0.00  0.00    +0.174 A 
ATOM     21  O   LIG    1       -1.102  -1.444   0.813  0.00  0.00    -0.357 OA
ATOM     22  N   LIG    1       -2.308  -2.071   0.602  0.00  0.00    -0.081 NA
BRANCH  19  23
ATOM     23  N   LIG    1       -1.611  -0.569  -2.652  0.00  0.00    +0.062 N 
ATOM     24  O   LIG    1       -0.719   0.232  -2.951  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1       -2.492  -0.982  -3.414  0.00  0.00    -0.126 OA
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH  16  26
ATOM     26  C   LIG    1        2.358  -1.857   0.345  0.00  0.00    -0.005 A 
ATOM     27  S   LIG    1        3.580  -1.748  -0.854  0.00  0.00    -0.101 S 
ATOM     28  C   LIG    1        3.889  -3.426  -0.793  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        3.078  -4.067   0.115  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        2.194  -3.163   0.770  0.00  0.00    +0.011 A 
ENDBRANCH  16  26
BRANCH  15  31
ATOM     31  C   LIG    1        3.159   0.328   2.571  0.00  0.00    +0.406 C 
ATOM     32  F   LIG    1        2.266   0.066   3.557  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1        4.016  -0.712   2.510  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1        3.867   1.416   2.947  0.00  0.00    -0.169 F 
ENDBRANCH  15  31
TORSDOF 4