REMARK  Name = BDB059469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.147  -0.532   0.441  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.119   0.834   0.454  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -0.810   1.187   0.202  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.567   2.550   0.148  0.00  0.00    +0.229 A 
ATOM      5  N   LIG    1       -1.564   3.434   0.355  0.00  0.00    -0.185 NA
ATOM      6  C   LIG    1       -2.786   2.960   0.617  0.00  0.00    +0.217 A 
ATOM      7  F   LIG    1        0.653   3.030  -0.122  0.00  0.00    -0.183 F 
ATOM      8  C   LIG    1       -0.107  -0.040   0.052  0.00  0.00    +0.106 A 
ATOM      9  N   LIG    1       -3.147   1.673   0.663  0.00  0.00    -0.195 NA
ATOM     10  N   LIG    1       -0.943  -1.088   0.178  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.315  -0.262  -0.219  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.297   0.532   0.403  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        3.645   0.274   0.118  0.00  0.00    +0.112 A 
ATOM     14  C   LIG    1        3.967  -0.751  -0.756  0.00  0.00    +0.157 A 
ATOM     15  O   LIG    1        5.326  -0.796  -0.860  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        5.745   0.213  -0.045  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        3.044  -1.569  -1.389  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1        4.793   0.873   0.571  0.00  0.00    -0.196 NA
ATOM     19  C   LIG    1        1.700  -1.300  -1.094  0.00  0.00    +0.014 A 
BRANCH  16  20
ATOM     20  N   LIG    1        7.065   0.388   0.045  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        7.377   0.889   0.869  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        7.638  -0.413  -0.189  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   8  11
BRANCH   1  24
ATOM     23  C   LIG    1       -3.128  -2.268   1.896  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -3.314  -1.379   0.666  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -3.648  -2.207  -0.574  0.00  0.00    +0.032 C 
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  N   LIG    1       -3.781   3.894   0.821  0.00  0.00    -0.327 N 
ATOM     27  H   LIG    1       -3.525   4.775   0.397  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -4.685   3.510   0.590  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4