REMARK  Name = BDB028169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.959  -0.217   1.484  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.897  -0.746   0.590  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.160  -1.942  -0.069  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.207  -2.505  -0.922  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.015  -1.859  -1.121  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.304  -0.643  -0.478  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.458  -2.605   0.134  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.727  -3.665  -0.421  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.339  -1.967   0.971  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.242  -2.407   1.120  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.671  -0.098   0.380  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.110  -0.805   1.641  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.586   0.043  -0.699  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        1.654   1.395  -1.037  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        2.801   2.086  -1.247  0.00  0.00    -0.250 NA
ATOM     16  C   LIG    1        3.979   1.412  -1.130  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1        4.012   0.059  -0.791  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        2.812  -0.622  -0.579  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.296   2.151  -1.338  0.00  0.00    +0.434 C 
ATOM     20  F   LIG    1        5.174   3.352  -1.971  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        5.939   2.410  -0.162  0.00  0.00    -0.164 F 
ATOM     22  F   LIG    1        6.186   1.431  -2.085  0.00  0.00    -0.164 F 
ENDBRANCH  16  19
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.726   1.076   2.260  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.857   2.216   1.349  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -3.802   2.202   0.957  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -2.806   3.077   1.893  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 4