REMARK  Name = BDB002661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535  -0.065  -1.337  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -1.714   0.034  -0.595  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -2.921  -0.303  -1.204  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -2.977  -0.703  -2.540  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.795  -0.802  -3.272  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.573  -0.486  -2.672  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        1.870   0.225  -1.324  0.00  0.00    -0.187 NA
ATOM      8  C   LIG    1        0.744   0.287  -0.686  0.00  0.00    +0.138 C 
BRANCH   7  10
ATOM      9  C   LIG    1        3.286   0.233   0.693  0.00  0.00    +0.281 C 
ATOM     10  N   LIG    1        3.023   0.527  -0.641  0.00  0.00    -0.202 N 
ATOM     11  H   LIG    1        3.821   0.654  -1.254  0.00  0.00    +0.178 HD
ATOM     12  O   LIG    1        2.472  -0.238   1.483  0.00  0.00    -0.267 OA
BRANCH   9  18
ATOM     13  C   LIG    1        8.154   1.581   1.319  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        6.767   1.075   1.452  0.00  0.00    +0.060 A 
ATOM     15  N   LIG    1        6.365   0.505   2.593  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1        5.083   0.181   2.360  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1        4.547  -0.270   3.095  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1        4.641   0.512   1.107  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        5.727   1.105   0.492  0.00  0.00    +0.057 A 
ENDBRANCH   9  18
ENDBRANCH   7  10
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  O   LIG    1       -4.097  -0.147  -0.461  0.00  0.00    -0.420 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.740  -1.338  -0.121  0.00  0.00    +0.380 C 
ATOM     22  O   LIG    1       -4.345  -2.463  -0.406  0.00  0.00    -0.241 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -5.942  -1.023   0.620  0.00  0.00    +0.212 A 
ATOM     24  O   LIG    1       -6.731  -2.058   1.052  0.00  0.00    -0.456 OA
ATOM     25  C   LIG    1       -7.786  -1.520   1.713  0.00  0.00    +0.196 A 
ATOM     26  C   LIG    1       -7.700  -0.149   1.721  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -6.514   0.174   1.018  0.00  0.00    +0.056 A 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6