REMARK  Name = BDB014829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.533  -0.431   0.229  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.848  -1.219   0.781  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.268  -1.544   1.273  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.766  -1.657   1.322  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.036  -0.855   0.453  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.575  -1.065   0.466  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.871   0.056  -0.211  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.486   0.353  -0.334  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.313   1.466  -1.057  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.550   1.885  -1.371  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.704   3.096  -2.139  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.518   1.056  -0.904  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.987   1.169  -1.054  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.620  -0.204  -0.742  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.229  -2.429   2.116  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.878  -0.355   0.212  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.599   0.612  -0.490  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.002   0.635  -0.468  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.733  -0.311   0.262  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        3.012  -1.283   0.968  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.611  -1.304   0.942  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.205  -0.284   0.287  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1        5.949  -0.258  -0.907  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        7.346  -0.228  -0.881  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1        8.023  -0.249   0.337  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        7.306  -0.274   1.531  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.909  -0.288   1.504  0.00  0.00    +0.009 A 
BRANCH  24  28
ATOM     28  O   LIG    1        8.128  -0.217  -2.012  0.00  0.00    -0.338 OA
BRANCH  28  29
ATOM     29  O   LIG    1        7.374   0.418  -3.083  0.00  0.00    -0.201 OA
ATOM     30  H   LIG    1        7.785   1.296  -2.988  0.00  0.00    +0.267 HD
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 5