REMARK  Name = BDB013160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.787   0.261  -0.176  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.990  -0.889  -0.450  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.371  -0.756  -0.323  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.885  -1.996  -0.564  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.082  -2.827  -0.879  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.996   0.443   0.029  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.271   1.492   0.304  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.267  -2.127  -0.811  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.101   1.369   0.194  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.655   2.248  -1.929  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        4.048   1.137  -1.026  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.220   0.269  -0.266  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.089  -0.596   0.377  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        3.843  -1.725   1.313  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        5.343  -0.226  -0.043  0.00  0.00    -0.266 N 
ATOM     16  N   LIG    1        5.343   0.848  -0.856  0.00  0.00    -0.176 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.620  -0.836   0.289  0.00  0.00    +0.171 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.414   0.008   1.278  0.00  0.00    +0.179 C 
BRANCH  18  19
ATOM     19  O   LIG    1        6.837  -0.033   2.583  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1        6.043   0.534   2.558  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.369   0.532   0.116  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.579   1.416   0.584  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.166   0.487  -1.110  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.613   0.724  -0.788  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.363  -0.143   0.002  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.960  -1.375   0.723  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.342  -1.909   1.100  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.287  -0.815   1.097  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.697   0.122   0.289  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.346   1.242  -0.187  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.622   2.118  -0.994  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.277   1.854  -1.286  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.612   2.724  -2.061  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7