REMARK  Name = BDB044018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.028   0.238  -0.750  0.00  0.00    +0.105 A 
ATOM      2  N   LIG    1        1.327   0.670  -0.965  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1        1.655   1.976  -1.507  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        2.226  -0.276  -0.509  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.693  -0.228  -0.589  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        4.513  -0.642   0.482  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.011  -1.149   1.795  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.876  -1.916   1.881  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.660  -2.219   2.821  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        2.086  -2.442   0.791  0.00  0.00    +0.142 C 
ATOM     11  O   LIG    1        4.642  -0.911   2.824  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        5.913  -0.560   0.359  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        6.504  -0.122  -0.825  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.702   0.235  -1.903  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.311   0.176  -1.787  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.485  -1.284   0.088  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1        0.116  -0.988  -0.111  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  23
ATOM     18  C   LIG    1       -5.844  -1.039  -0.037  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1       -5.213   0.261   0.196  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1       -4.439   0.671  -0.989  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1       -3.415   1.800  -0.787  0.00  0.00    +0.123 C 
ATOM     22  N   LIG    1       -2.147   1.271  -0.279  0.00  0.00    -0.295 N 
ATOM     23  C   LIG    1       -1.149   0.955  -1.206  0.00  0.00    +0.263 C 
ATOM     24  O   LIG    1       -1.244   1.298  -2.385  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1       -2.104   0.982   1.149  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -3.071  -0.128   1.558  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -4.536   0.316   1.494  0.00  0.00    +0.085 C 
ENDBRANCH   1  23
TORSDOF 1