REMARK  Name = BDB016328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.817   2.910   0.021  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.156   1.435   0.257  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.951   0.651   0.028  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.108   1.159   0.334  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.891  -0.675   0.503  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.005  -1.531   0.663  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.809  -2.847   1.139  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.542  -3.354   1.412  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.432  -2.555   1.199  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.358  -1.230   0.403  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.038  -1.940   0.647  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.981  -0.170  -0.171  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.211  -0.209  -0.272  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.601  -1.243   0.728  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.213   0.985  -0.726  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.631  -0.425   0.523  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        1.625  -1.057  -0.202  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        1.386  -1.950  -0.615  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        0.653   0.716   0.972  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.903  -0.554  -0.521  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.404   0.660  -0.045  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        4.694   1.099  -0.398  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        5.477   0.304  -1.245  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.987  -0.910  -1.720  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.708  -1.337  -1.357  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.202   2.423   0.117  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        4.616   3.484  -0.503  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        4.982   2.595   1.450  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.545   2.588  -0.058  0.00  0.00    -0.166 F 
ENDBRANCH  22  26
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 3