REMARK  Name = BDB046624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.543   0.046  -1.143  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1        0.575  -0.770  -0.471  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.180  -1.300   0.849  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.943  -1.822   1.280  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -1.012  -2.044   0.818  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.039  -1.755  -0.090  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -3.250  -2.434  -0.046  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.472  -3.413   0.924  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.476  -3.687   1.861  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -4.293  -2.080  -1.019  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -5.375  -2.656  -1.029  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -3.980  -1.069  -1.897  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.687  -0.802  -2.576  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -2.804  -0.382  -1.948  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1       -1.262  -2.993   1.817  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -1.871  -0.693  -1.097  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -1.940   1.291   1.487  0.00  0.00    +0.150 C 
ATOM     18  N   LIG    1       -1.266   1.994   0.425  0.00  0.00    -0.337 N 
ATOM     19  C   LIG    1       -0.671   1.487  -0.713  0.00  0.00    +0.121 A 
ATOM     20  N   LIG    1       -0.169   2.482  -1.431  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1       -0.439   3.634  -0.753  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -1.118   3.357   0.404  0.00  0.00    +0.106 A 
ENDBRANCH   1  19
BRANCH   2  23
ATOM     23  C   LIG    1        1.919  -0.062  -0.371  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        2.275   0.703   0.751  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.506   1.361   0.810  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        4.409   1.280  -0.259  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        4.059   0.515  -1.381  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        2.827  -0.142  -1.439  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.744   1.977  -0.189  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        6.703   1.195   0.381  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        5.714   3.124   0.547  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.231   2.333  -1.410  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH   2  23
TORSDOF 3