REMARK  Name = BDB052599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.235   0.511   1.590  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -1.122   0.756   1.322  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.705   1.815   1.998  0.00  0.00    +0.233 A 
ATOM      4  O   LIG    1       -3.020   1.913   1.671  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1       -3.308   0.927   0.767  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -1.117   2.651   2.863  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1        0.172   2.345   3.029  0.00  0.00    +0.227 A 
ATOM      8  C   LIG    1       -2.157   0.194   0.510  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1        0.866   1.348   2.450  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -4.699   0.908   0.314  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -5.049   0.475  -0.973  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -6.385   0.457  -1.386  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.392   0.876  -0.520  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.064   1.316   0.759  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.728   1.333   1.171  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1       -2.083  -0.928  -0.401  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -1.427  -0.785  -1.631  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.337  -1.868  -2.505  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.898  -3.096  -2.154  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.550  -3.242  -0.929  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.642  -2.161  -0.052  0.00  0.00    +0.008 A 
ENDBRANCH   8  16
BRANCH   1  22
ATOM     22  N   LIG    1        0.931  -0.554   1.034  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1        0.474  -1.003   0.250  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.385  -0.478   0.966  0.00  0.00    +0.107 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.847   0.481  -0.137  0.00  0.00    +0.054 C 
BRANCH  25  29
ATOM     26  C   LIG    1        7.158   0.521  -0.540  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        6.526   1.287   0.441  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.133   1.291   0.559  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.348   0.493  -0.281  0.00  0.00    -0.046 A 
ATOM     30  C   LIG    1        4.984  -0.325  -1.221  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        6.378  -0.323  -1.333  0.00  0.00    +0.023 A 
BRANCH  26  32
ATOM     32  N   LIG    1        8.555   0.430  -0.575  0.00  0.00    -0.358 N 
ATOM     33  H   LIG    1        8.922   0.131  -1.473  0.00  0.00    +0.142 HD
ATOM     34  H   LIG    1        9.025   1.258  -0.223  0.00  0.00    +0.142 HD
ENDBRANCH  26  32
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 7