REMARK  Name = BDB018686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.960   0.643  -0.013  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.938  -0.069  -0.664  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.367   0.438  -0.730  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -1.447  -0.282  -1.494  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -2.834  -0.007  -0.901  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -3.025  -0.686   0.468  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -4.405  -1.261   0.465  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -5.082  -0.857  -0.790  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -3.018   1.503  -0.740  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -1.945   2.197  -0.241  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -2.117   3.167  -0.005  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -4.079   2.083  -0.958  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.937  -0.627  -1.764  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -0.651   1.677  -0.152  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.348   2.410   0.479  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        1.643   1.889   0.555  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        5.953  -0.929   0.211  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        5.324  -0.783  -1.027  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        4.024  -0.271  -1.098  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        3.328   0.104   0.064  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        3.976  -0.049   1.301  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        5.276  -0.562   1.376  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1        8.364  -1.878   0.345  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        7.285  -1.454   0.286  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   7  25
ATOM     25  C   LIG    1       -5.058  -1.627   1.577  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1       -5.615  -1.941   2.541  0.00  0.00    -0.174 NA
ENDBRANCH   7  25
TORSDOF 3