REMARK  Name = BDB008428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.341   2.503  -0.343  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.399   1.705  -0.395  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -4.474   0.499   0.446  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.457  -0.452   0.449  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -3.558  -1.585   1.261  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.660  -1.815   2.091  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -5.678  -0.858   2.083  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -2.415  -2.334   1.061  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -2.212  -3.207   1.530  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -1.613  -1.705   0.147  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -0.300  -2.204  -0.326  0.00  0.00    +0.165 C 
ATOM     12  N   LIG    1        0.435  -1.093  -0.925  0.00  0.00    -0.256 N 
ATOM     13  C   LIG    1        1.809  -1.242  -1.030  0.00  0.00    +0.404 C 
ATOM     14  O   LIG    1        2.428  -2.169  -0.520  0.00  0.00    -0.226 OA
ATOM     15  C   LIG    1       -0.293  -0.111  -1.754  0.00  0.00    +0.169 C 
ATOM     16  C   LIG    1       -1.646   0.346  -1.182  0.00  0.00    +0.088 A 
ATOM     17  N   LIG    1       -2.165   1.453  -1.608  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -2.244  -0.542  -0.236  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1       -5.590   0.279   1.277  0.00  0.00    +0.014 A 
ATOM     20  N   LIG    1       -3.353   2.012  -1.243  0.00  0.00    -0.242 N 
ATOM     21  H   LIG    1       -3.525   2.895  -1.718  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  13  22
ATOM     22  O   LIG    1        2.383  -0.260  -1.771  0.00  0.00    -0.445 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.810  -0.310  -1.885  0.00  0.00    +0.269 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.430   0.603  -0.861  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        4.493   1.986  -1.084  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        5.051   2.832  -0.125  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.543   2.307   1.069  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.473   0.936   1.307  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.915   0.087   0.349  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  13  22
TORSDOF 3