REMARK  Name = BDB040777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.292   0.548   0.367  0.00  0.00    -0.269 N 
ATOM      2  C   LIG    1        0.534   1.137  -0.657  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1        0.915   1.639  -1.703  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -0.918   1.124  -0.242  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1       -0.963   0.083   0.865  0.00  0.00    +0.101 C 
ATOM      6  C   LIG    1        0.437   0.170   1.472  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.555   0.253   0.565  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        4.747  -0.096   1.642  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1        5.305  -0.546   2.776  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        3.354  -0.001   1.582  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        2.711   0.456   0.422  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        3.521   0.806  -0.664  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        4.912   0.707  -0.585  0.00  0.00    +0.132 A 
ATOM     14  F   LIG    1        5.641   1.054  -1.656  0.00  0.00    -0.205 F 
BRANCH   7  21
ATOM     15  O   LIG    1       10.925   0.497  -0.791  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        9.758   0.377  -0.427  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        8.986   1.475  -0.146  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1        9.438   2.372  -0.261  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        7.741   1.505   0.436  0.00  0.00    +0.227 C 
ATOM     20  O   LIG    1        7.264   2.572   0.817  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        7.061   0.155   0.657  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1        7.613  -0.898  -0.311  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        9.126  -0.971  -0.181  0.00  0.00    +0.097 C 
ENDBRANCH   7  21
ENDBRANCH   1  11
BRANCH   5  24
ATOM     24  N   LIG    1       -1.203  -1.259   0.334  0.00  0.00    -0.293 N 
ATOM     25  H   LIG    1       -0.464  -1.652  -0.243  0.00  0.00    +0.151 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.443  -1.658  -0.004  0.00  0.00    +0.308 A 
ATOM     27  O   LIG    1       -3.511  -0.973   0.502  0.00  0.00    -0.409 OA
ATOM     28  C   LIG    1       -4.569  -1.644  -0.056  0.00  0.00    +0.222 A 
ATOM     29  N   LIG    1       -4.182  -2.644  -0.820  0.00  0.00    -0.111 NA
ATOM     30  N   LIG    1       -2.803  -2.649  -0.786  0.00  0.00    -0.093 NA
BRANCH  28  31
ATOM     31  C   LIG    1       -6.055  -1.280   0.197  0.00  0.00    +0.078 C 
ATOM     32  C   LIG    1       -6.926  -1.155  -1.087  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1       -7.520   0.085  -0.455  0.00  0.00    -0.028 C 
ATOM     34  C   LIG    1       -8.905  -0.015   0.147  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -9.405   0.736  -1.114  0.00  0.00    +0.001 C 
ATOM     36  C   LIG    1       -7.951   1.227  -1.338  0.00  0.00    +0.007 C 
ATOM     37  C   LIG    1       -6.329   0.231   0.456  0.00  0.00    +0.020 C 
ENDBRANCH  28  31
ENDBRANCH  24  26
ENDBRANCH   5  24
TORSDOF 5