REMARK  Name = BDB042786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.578  -1.331   0.307  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        4.416  -1.013   0.082  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        3.311  -1.950   0.322  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.008  -1.523   0.079  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        0.920  -2.375   0.263  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -0.386  -1.992  -0.070  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1       -1.066  -2.589   0.401  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.690  -0.548   0.079  0.00  0.00    +0.088 C 
ATOM      9  C   LIG    1        0.360   0.303  -0.703  0.00  0.00    +0.093 C 
ATOM     10  C   LIG    1        1.179  -3.696   0.645  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        2.484  -4.116   0.902  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        2.702  -5.380   1.288  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        1.802  -0.158  -0.418  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        2.796   0.647  -0.673  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        3.559  -3.253   0.752  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        4.062   0.217  -0.416  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        4.811   0.880  -0.598  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        0.254   1.807  -0.468  0.00  0.00    -0.001 A 
ATOM     19  C   LIG    1        0.336   2.353   0.821  0.00  0.00    +0.130 A 
ATOM     20  F   LIG    1        0.478   1.545   1.881  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        0.272   3.724   1.037  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        0.141   4.569  -0.054  0.00  0.00    +0.126 A 
ATOM     23  F   LIG    1        0.080   5.893   0.140  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        0.077   4.065  -1.349  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        0.141   2.686  -1.559  0.00  0.00    +0.010 A 
ENDBRANCH   9  18
BRANCH   8  26
ATOM     26  C   LIG    1       -2.153  -0.354  -0.416  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -2.754   1.034  -0.242  0.00  0.00    +0.086 C 
ATOM     28  N   LIG    1       -4.198   0.814  -0.379  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1       -4.415   0.675  -1.367  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -4.473  -0.433   0.336  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1       -3.172  -1.223   0.339  0.00  0.00    +0.021 C 
ENDBRANCH   8  26
TORSDOF 2