REMARK  Name = BDB046080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.139  -1.362  -0.763  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.978  -1.233  -0.376  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -3.475   0.111   0.008  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.104   0.434   0.132  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.756   1.751   0.442  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.698   2.765   0.649  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -4.045   2.431   0.528  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.384   1.813   0.481  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.146   2.649   0.685  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        0.170   0.584   0.225  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -0.878  -0.299   0.010  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -0.786  -1.756  -0.297  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.921  -2.543   0.350  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.428   1.131   0.208  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.196  -2.358  -0.316  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -3.721  -3.190  -0.559  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        1.613   0.385   0.223  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        2.223  -0.376   1.226  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.609  -0.560   1.229  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        4.406   0.009   0.224  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        3.790   0.779  -0.774  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        2.404   0.963  -0.775  0.00  0.00    +0.010 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.905  -0.172   0.239  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        6.535   0.802   0.952  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        6.295  -1.353   0.794  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.459  -0.145  -1.004  0.00  0.00    -0.166 F 
ENDBRANCH  20  23
ENDBRANCH  10  17
TORSDOF 2