REMARK  Name = BDB028319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.986  -0.756   0.200  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.965   0.013  -0.458  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.174   0.335   0.177  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.408  -0.114   1.473  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.679   0.225   2.133  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.558   0.980   1.397  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.441   1.225   1.837  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.360   1.436   0.131  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.925  -0.151   3.273  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.449  -0.878   2.143  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.239   1.145  -0.466  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.246  -1.194   1.508  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        2.720  -1.003  -0.575  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.517  -0.705   0.082  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.282  -1.086  -0.464  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.322  -1.785  -1.669  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        1.456  -2.108  -2.333  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        2.620  -1.708  -1.774  0.00  0.00    +0.119 A 
BRANCH  13  20
ATOM     19  C   LIG    1        4.420   0.756   0.077  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        4.024  -0.598  -0.027  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.923  -1.592   0.410  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        6.171  -1.254   0.935  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        6.534   0.082   1.028  0.00  0.00    +0.125 A 
ATOM     24  F   LIG    1        7.731   0.406   1.533  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.675   1.088   0.606  0.00  0.00    +0.057 A 
BRANCH  19  27
ATOM     26  N   LIG    1        2.875   2.696  -0.694  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        3.566   1.826  -0.358  0.00  0.00    +0.100 C 
ENDBRANCH  19  27
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -4.007   1.654  -1.893  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.163   2.421  -2.373  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -5.329   3.178  -1.705  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -5.992   1.832  -2.263  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5