REMARK  Name = BDB004603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.948   1.475  -1.243  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.328   0.946  -1.858  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.478   0.771  -1.068  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.655   0.256  -1.618  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        2.676  -0.082  -2.977  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        1.536   0.075  -3.768  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.365   0.581  -3.210  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        3.845   0.061  -0.886  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        4.625  -0.308  -1.414  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        4.027   0.220   0.476  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        3.167   0.482   1.308  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1        5.422  -0.005   0.952  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        6.533   0.389   0.194  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        7.825   0.165   0.679  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        8.003  -0.443   1.922  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        9.752  -0.744   2.574  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        6.904  -0.822   2.691  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        5.612  -0.597   2.208  0.00  0.00    +0.014 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1       -1.793   0.341  -0.889  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.284  -0.303  -0.288  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -5.976  -0.971   1.177  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1       -5.093   0.045   0.752  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.893  -0.354   0.132  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -3.017   0.676  -0.272  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1       -3.320   1.974  -0.119  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -4.479   2.250   0.472  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -3.618  -1.730  -0.070  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.502  -2.713   0.351  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -5.370   1.358   0.921  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -5.677  -2.333   0.977  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1       -7.623   0.603   2.104  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       -8.510   0.802   2.543  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -7.021   1.366   1.807  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1       -7.281  -0.693   1.857  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1       -8.036  -1.599   2.194  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6