REMARK  Name = BDB003686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.707   1.226   1.050  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -1.730   1.163   2.062  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.766   2.154   0.675  0.00  0.00    +0.237 C 
ATOM      4  O   LIG    1       -0.447   3.017   1.501  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -0.768  -1.295   2.095  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1       -1.586  -1.185   0.836  0.00  0.00    -0.029 A 
ATOM      7  C   LIG    1       -2.029   0.057   0.336  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -2.832   0.117  -0.821  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1       -3.476   1.378  -1.329  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1       -3.107  -1.071  -1.516  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -2.634  -2.296  -1.052  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.892  -2.354   0.124  0.00  0.00    +0.005 A 
ENDBRANCH   1   7
BRANCH   3  13
ATOM     13  C   LIG    1       -0.128   2.129  -0.702  0.00  0.00    +0.217 C 
BRANCH  13  14
ATOM     14  N   LIG    1        0.823   1.039  -0.879  0.00  0.00    -0.337 N 
ATOM     15  C   LIG    1        1.994   0.859  -0.169  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        2.592  -0.311  -0.656  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.805  -0.742  -0.076  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        4.385   0.003   0.957  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.777   1.166   1.415  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.764  -0.810  -1.708  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        2.576   1.615   0.861  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        0.701   0.062  -1.832  0.00  0.00    +0.098 A 
BRANCH  20  23
ATOM     23  C   LIG    1        1.963  -1.996  -2.519  0.00  0.00    +0.260 C 
ATOM     24  O   LIG    1        1.202  -2.353  -3.414  0.00  0.00    -0.296 OA
ENDBRANCH  20  23
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 4