REMARK  Name = BDB026639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.128  -3.306   0.824  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        0.585  -2.648  -0.110  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        0.092  -1.442  -0.575  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.567  -0.979  -1.338  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.000  -0.746  -0.038  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -1.698  -1.243   0.992  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1       -2.743  -0.517   1.461  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -3.154   0.712   0.950  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.406   1.204  -0.123  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.324   0.475  -0.622  0.00  0.00    +0.044 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -4.303   1.444   1.503  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -4.196   2.799   1.859  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -5.287   3.495   2.386  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.507   2.849   2.564  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.636   1.506   2.217  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.543   0.811   1.692  0.00  0.00    +0.008 A 
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1        1.771  -3.220  -0.874  0.00  0.00    +0.219 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.506  -2.260  -1.672  0.00  0.00    -0.325 N 
ATOM     19  C   LIG    1        3.373  -1.303  -1.230  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        3.863  -1.054   0.150  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        4.532   0.336   0.211  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        5.435   0.616  -1.010  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        4.658   0.564  -2.342  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1        3.735  -0.598  -2.355  0.00  0.00    +0.062 A 
ATOM     25  N   LIG    1        3.106  -1.089  -3.464  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        2.401  -2.111  -3.031  0.00  0.00    +0.200 A 
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 4