REMARK  Name = BDB046890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.381  -0.643  -0.485  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1        4.235   0.194  -1.545  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1        3.133  -0.224  -2.166  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        2.546  -1.348  -1.556  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        3.377  -1.600  -0.486  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1        9.289   1.451   2.367  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        8.429   1.419   1.494  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        7.370   0.392   1.477  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        6.414   0.441   0.451  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        5.430  -0.560   0.494  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1        5.397  -1.528   1.474  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        6.347  -1.517   2.429  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        6.479   1.450  -0.531  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1        7.425   2.319  -0.481  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1        7.353  -0.582   2.475  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1        8.390   2.335   0.479  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        9.106   3.047   0.481  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.325  -2.102  -1.967  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.071  -1.230  -2.180  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.370  -0.443  -1.015  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -1.460   0.482  -1.357  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -2.832   0.002  -0.886  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -2.875  -0.153   0.646  0.00  0.00    -0.001 C 
ATOM     24  C   LIG    1       -1.493  -0.545   1.202  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -0.650  -1.279   0.159  0.00  0.00    +0.084 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.956  -1.163   1.081  0.00  0.00    +0.083 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.333  -0.735   0.721  0.00  0.00    +0.172 A 
ATOM     28  N   LIG    1       -5.921   0.375   1.269  0.00  0.00    -0.196 NA
ATOM     29  C   LIG    1       -7.094   0.389   0.675  0.00  0.00    +0.230 A 
ATOM     30  O   LIG    1       -7.268  -0.652  -0.194  0.00  0.00    -0.338 OA
ATOM     31  N   LIG    1       -6.088  -1.400  -0.163  0.00  0.00    -0.061 NA
BRANCH  29  32
ATOM     32  C   LIG    1       -8.162   1.487   0.936  0.00  0.00    +0.078 C 
ATOM     33  C   LIG    1       -7.911   2.873   0.396  0.00  0.00    +0.014 C 
ATOM     34  C   LIG    1       -8.987   2.016  -0.209  0.00  0.00    +0.014 C 
ENDBRANCH  29  32
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 7