REMARK  Name = BDB026834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.792   0.109   0.705  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.698   0.119  -0.816  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.356  -1.058  -1.504  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.251  -1.064  -2.896  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.482   0.104  -3.618  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.816   1.280  -2.950  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.922   1.290  -1.558  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -2.167   1.961   1.476  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -2.126   0.760   1.181  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.341  -0.069   1.235  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -4.638   0.328   1.714  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -5.495  -0.765   1.575  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -6.844  -0.727   1.949  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -7.337   0.466   2.483  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.512   1.576   2.636  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -4.759  -1.788   1.031  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -5.129  -2.704   0.815  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -5.166   1.520   2.257  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -3.466  -1.385   0.823  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.340   0.805   1.366  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.286   1.802   1.152  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.659   0.244   1.085  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.479   1.090   0.098  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.796   0.432  -0.238  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        3.909  -0.375  -1.378  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.120  -1.000  -1.684  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.236  -0.840  -0.850  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        6.120  -0.028   0.288  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        4.909   0.598   0.594  0.00  0.00    +0.004 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.549  -1.497  -1.193  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        8.328  -0.717  -1.992  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.308  -1.784  -0.098  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.399  -2.678  -1.857  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8