REMARK  Name = BDB003479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.714   2.958  -0.945  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        1.168   1.952  -0.082  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        0.563   0.683  -0.051  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.584   0.478  -0.856  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -1.021   1.481  -1.740  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.371   2.715  -1.786  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.323  -0.818  -0.799  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.690  -0.789  -0.996  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -3.647   0.187  -0.469  0.00  0.00    +0.141 C 
ATOM     10  C   LIG    1       -4.412  -0.997   0.149  0.00  0.00    +0.149 C 
ATOM     11  C   LIG    1       -3.592  -1.919  -0.768  0.00  0.00    +0.141 C 
ATOM     12  O   LIG    1       -0.709  -1.857  -0.567  0.00  0.00    -0.270 OA
BRANCH  10  13
ATOM     13  O   LIG    1       -5.844  -0.997  -0.033  0.00  0.00    -0.389 OA
ATOM     14  H   LIG    1       -6.142  -1.852   0.324  0.00  0.00    +0.210 HD
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  16
ATOM     15  N   LIG    1        1.893   5.268  -0.981  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        1.366   4.235  -0.962  0.00  0.00    +0.099 C 
ENDBRANCH   1  16
BRANCH   3  17
ATOM     17  N   LIG    1        1.037  -0.326   0.821  0.00  0.00    -0.312 N 
ATOM     18  H   LIG    1        0.492  -1.196   0.744  0.00  0.00    +0.152 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.333  -0.634   1.298  0.00  0.00    +0.067 A 
ATOM     20  C   LIG    1        2.455  -1.499   2.401  0.00  0.00    +0.145 A 
ATOM     21  F   LIG    1        1.349  -2.026   2.951  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        3.691  -1.832   2.950  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.844  -1.295   2.391  0.00  0.00    +0.016 A 
ATOM     24  I   LIG    1        6.701  -1.776   3.189  0.00  0.00    -0.044 I 
ATOM     25  C   LIG    1        4.760  -0.441   1.292  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        3.510  -0.114   0.750  0.00  0.00    +0.027 A 
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5