REMARK  Name = BDB055718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.561   2.390  -1.058  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.119   2.907  -2.270  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.927   2.950  -3.338  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.193   3.349  -2.398  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.062   3.271  -1.305  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.624   2.758  -0.072  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.295   2.331   0.049  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  16
ATOM      8  O   LIG    1       -6.007  -0.440   1.986  0.00  0.00    -0.292 OA
ATOM      9  C   LIG    1       -5.090  -0.493   1.187  0.00  0.00    +0.166 C 
ATOM     10  C   LIG    1       -4.559  -1.735   0.638  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.580  -1.385  -0.268  0.00  0.00    -0.013 A 
ATOM     12  C   LIG    1       -2.750  -2.332  -0.840  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1       -1.641  -1.800  -1.696  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1       -1.107  -0.484  -1.081  0.00  0.00    +0.113 C 
ATOM     15  N   LIG    1       -2.146   0.535  -0.784  0.00  0.00    -0.290 N 
ATOM     16  C   LIG    1       -1.942   1.907  -0.929  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -2.845   2.737  -0.892  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -2.995  -3.675  -0.554  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -4.032  -4.030   0.334  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.518   0.083  -0.546  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1       -4.818  -3.052   0.958  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.260   0.670   0.674  0.00  0.00    +0.107 C 
ENDBRANCH   1  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.580   2.668   1.097  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.688   1.648   0.856  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        3.455   0.207   1.136  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        4.488  -0.675   0.822  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        4.344  -2.051   1.038  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        3.159  -2.549   1.577  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        2.126  -1.673   1.903  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.744  -0.144   0.270  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        6.676  -0.884  -0.024  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        5.806   1.217   0.111  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        6.666   1.601  -0.270  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        2.271  -0.298   1.687  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        4.809   2.102   0.375  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 3