REMARK  Name = BDB046628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.344   0.994  -1.199  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -0.238  -0.374  -1.608  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.822  -1.391  -1.736  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.464  -2.306  -2.007  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.829  -1.424  -0.771  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.101  -0.336   0.069  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.112  -0.396   1.024  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.917  -1.530   1.128  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        3.691  -2.587   0.259  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        4.465  -3.677   0.334  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.305   0.753   1.918  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1        4.171   0.744   2.785  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        2.453   1.814   1.729  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1        2.596   2.634   2.314  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1        1.508   1.921   0.754  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1        2.668  -2.540  -0.687  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        1.318   0.907  -0.039  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1       -1.479   1.915   1.341  0.00  0.00    +0.174 C 
ATOM     19  N   LIG    1       -1.446   2.435  -0.001  0.00  0.00    -0.251 N 
ATOM     20  C   LIG    1       -0.691   2.078  -1.095  0.00  0.00    +0.138 A 
ATOM     21  N   LIG    1       -1.065   2.828  -2.119  0.00  0.00    -0.219 NA
ATOM     22  C   LIG    1       -2.020   3.643  -1.597  0.00  0.00    +0.245 A 
ATOM     23  N   LIG    1       -2.301   3.432  -0.314  0.00  0.00    -0.158 NA
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  C   LIG    1       -1.416  -0.896  -0.785  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -2.722  -0.563  -1.194  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.837  -0.984  -0.468  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.671  -1.752   0.679  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.391  -2.099   1.099  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.272  -1.675   0.375  0.00  0.00    +0.005 A 
ENDBRANCH   2  24
TORSDOF 2