REMARK  Name = BDB009206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.043   1.613   0.685  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.051   1.118   1.407  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.274   1.806   1.413  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.369   3.019   0.715  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.275   3.523   0.008  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.931   2.824  -0.009  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.995   0.820  -0.500  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        2.520   1.223  -1.297  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.320   0.847   0.707  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.647   0.293   1.749  0.00  0.00    -0.270 OA
BRANCH   7  17
ATOM     11  C   LIG    1        7.090  -1.641   0.940  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1        6.275  -0.991  -0.143  0.00  0.00    -0.035 A 
ATOM     13  C   LIG    1        6.699  -0.947  -1.478  0.00  0.00    +0.021 A 
ATOM     14 BR   LIG    1        8.348  -1.706  -2.038  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1        5.908  -0.332  -2.450  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        4.686   0.244  -2.099  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.238   0.211  -0.774  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.038  -0.404   0.192  0.00  0.00    +0.027 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.454   1.284   2.204  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.827  -0.158   1.868  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.729  -0.439   0.707  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.259   0.676  -0.149  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.908   0.192  -1.450  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.785  -1.030  -1.208  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.970  -2.178  -0.610  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.040  -1.728   0.483  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.465  -2.795   1.341  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.710  -3.981   1.148  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.650  -2.371   2.355  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -2.243  -3.082   2.953  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -2.328  -1.081   2.636  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4