REMARK  Name = BDB000694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.303   0.136  -0.425  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -1.079   0.201  -1.418  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.239   0.063   0.449  0.00  0.00    +0.255 C 
ATOM      4  O   LIG    1       -0.327  -0.019   1.673  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.119   0.091  -0.200  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        1.313   0.187  -1.665  0.00  0.00    +0.350 A 
ATOM      7  O   LIG    1        0.358   0.251  -2.437  0.00  0.00    -0.244 OA
ATOM      8  O   LIG    1        2.616   0.202  -2.147  0.00  0.00    -0.422 OA
ATOM      9  C   LIG    1        3.719   0.131  -1.281  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        3.537   0.043   0.093  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        4.659  -0.027   0.922  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        5.951   0.003   0.372  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        6.106   0.078  -1.020  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        7.155  -0.106   1.263  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        4.988   0.147  -1.851  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        2.182   0.023   0.620  0.00  0.00    +0.031 A 
ENDBRANCH   3   5
BRANCH   1  20
ATOM     17  C   LIG    1       -5.138  -0.081   2.776  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.592   0.052   1.384  0.00  0.00    -0.048 A 
ATOM     19  C   LIG    1       -3.205   0.048   1.168  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -2.682   0.133  -0.124  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.566   0.217  -1.208  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.954   0.223  -1.013  0.00  0.00    -0.048 A 
ATOM     23  C   LIG    1       -5.886   0.271  -2.188  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -5.459   0.121   0.287  0.00  0.00    +0.006 A 
ENDBRANCH   1  20
TORSDOF 2