REMARK  Name = BDB059664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.401  -0.587   0.049  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.849  -0.157  -0.120  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -3.768  -0.924  -0.382  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -3.085   1.219   0.036  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.112   2.156   0.312  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -2.746   3.372   0.384  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.100   3.085   0.140  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -0.838   1.729   0.441  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.064   2.370   0.625  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.322   1.784  -0.073  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.495   0.390   0.310  0.00  0.00    +0.057 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.950   0.141   0.456  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        1.765   0.005  -0.676  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        3.148  -0.207  -0.545  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        3.709  -0.252   0.741  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.905  -0.099   1.871  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.532   0.101   1.730  0.00  0.00    +0.010 A 
BRANCH  14  18
ATOM     18  C   LIG    1        4.015  -0.343  -1.772  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        4.378   0.865  -2.283  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        3.395  -1.009  -2.786  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        5.175  -1.018  -1.539  0.00  0.00    -0.166 F 
ENDBRANCH  14  18
ENDBRANCH  11  12
BRANCH   1  23
ATOM     22  C   LIG    1       -0.172  -2.748   0.829  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -1.204  -2.094  -0.095  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -0.935  -2.473  -1.554  0.00  0.00    +0.012 C 
ENDBRANCH   1  23
BRANCH   6  25
ATOM     25  C   LIG    1       -2.156   4.637   0.648  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -1.661   5.664   0.866  0.00  0.00    -0.191 NA
ENDBRANCH   6  25
TORSDOF 4