REMARK  Name = BDB006728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.272  -1.732  -0.051  0.00  0.00    -0.259 N 
ATOM      2  C   LIG    1        2.045  -1.206   0.108  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        0.686  -1.583  -0.029  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.048  -0.426   0.382  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.875   0.706   0.751  0.00  0.00    +0.149 C 
ATOM      6  O   LIG    1        0.283  -2.670  -0.405  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        2.193   0.072   0.549  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        3.572   0.272   0.661  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        4.304   1.480   1.108  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        4.242  -0.837   0.282  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.437  -0.347   0.483  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.267  -1.329   0.075  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.645  -1.178   0.193  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.251  -0.051   0.716  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.557  -0.201   0.688  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -5.829  -1.434   0.144  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.415   1.014   1.175  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -3.982   2.274   1.777  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.683  -2.017  -0.149  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.507  -3.357  -0.751  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -2.073   0.852   1.058  0.00  0.00    +0.032 A 
ENDBRANCH   4  11
BRANCH   5  22
ATOM     22  C   LIG    1        0.842   1.890  -0.189  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        1.053   3.173   0.336  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1        1.267   3.320   1.651  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        1.043   4.306  -0.468  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        0.820   4.159  -1.828  0.00  0.00    +0.126 A 
ATOM     27  F   LIG    1        0.808   5.243  -2.615  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        0.610   2.904  -2.389  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        0.622   1.770  -1.574  0.00  0.00    +0.011 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     30  C   LIG    1        3.724  -4.048   0.645  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        3.623  -3.061  -0.504  0.00  0.00    +0.141 C 
ENDBRANCH   1  31
TORSDOF 3