REMARK  Name = BDB048266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.235  -0.608  -0.035  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -0.682  -1.633  -0.104  0.00  0.00    -0.323 N 
ATOM      3  H   LIG    1       -0.434  -2.613  -0.154  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -1.942  -1.098  -0.092  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -1.725   0.270  -0.014  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -2.825   1.139   0.019  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -4.125   0.600  -0.035  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.300  -0.794  -0.105  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -3.211  -1.675  -0.139  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.383   0.555   0.021  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1        1.593  -3.224  -0.159  0.00  0.00    -0.246 OA
ATOM     12  C   LIG    1        2.160  -2.143  -0.092  0.00  0.00    +0.334 A 
ATOM     13  N   LIG    1        1.582  -0.857  -0.029  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1        2.596   0.105   0.039  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1        3.814  -0.584   0.018  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1        5.032   0.054   0.070  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        5.010   1.450   0.147  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.788   2.156   0.169  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.562   1.482   0.114  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1        3.553  -1.950  -0.061  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1        4.228  -2.697  -0.093  0.00  0.00    +0.170 HD
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -5.321   1.517   0.023  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1       -6.408   1.019  -0.631  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -5.088   2.741  -0.529  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -5.731   1.753   1.299  0.00  0.00    -0.166 F 
ENDBRANCH   7  22
TORSDOF 2