REMARK  Name = BDB034268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.517   0.114  -0.016  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.815  -1.257  -0.098  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -1.961  -2.183  -0.684  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -0.736  -1.739  -1.231  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.106  -2.721  -1.819  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -0.290  -4.058  -1.801  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.510  -4.377  -1.244  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -0.426  -0.361  -1.152  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -2.342  -3.471  -0.694  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1       -1.303   0.547  -0.555  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -5.253   2.887   1.831  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.908   2.841   2.223  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.021   1.942   1.620  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -3.452   1.060   0.616  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -4.803   1.106   0.237  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -5.693   2.004   0.836  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -7.248   4.210   1.690  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -6.214   3.840   2.496  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -6.783   3.308   3.613  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.623   5.001   2.896  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  N   LIG    1        1.392  -2.418  -2.348  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        1.402  -1.457  -2.679  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.449  -2.653  -1.356  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.822  -2.287  -1.924  0.00  0.00    +0.034 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.016  -0.805  -2.275  0.00  0.00    +0.083 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.767   0.151  -1.199  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        2.873  -0.028  -0.744  0.00  0.00    +0.122 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.807   0.140  -0.170  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.416   1.044   0.945  0.00  0.00    +0.119 A 
ATOM     30  O   LIG    1        3.555   0.527   1.871  0.00  0.00    -0.467 OA
ATOM     31  C   LIG    1        3.325   1.504   2.785  0.00  0.00    +0.195 A 
ATOM     32  C   LIG    1        4.021   2.644   2.459  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        4.726   2.349   1.268  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 9