REMARK  Name = BDB028535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.837  -1.853   0.495  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        1.338  -1.014  -0.251  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        2.058   0.025  -0.825  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        3.476   0.126  -0.476  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1        3.667   1.069   0.741  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        3.027   2.444   0.424  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        1.569   2.292  -0.033  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1        1.453   1.305  -1.196  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        0.010  -1.035  -0.584  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.174  -0.767  -1.542  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        5.056   1.215   1.254  0.00  0.00    -0.296 NA
ATOM     12  C   LIG    1        5.493  -0.021   1.941  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        6.650   0.234   2.920  0.00  0.00    +0.175 C 
ATOM     14  O   LIG    1        7.960   0.099   2.378  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1        8.176   0.629   1.078  0.00  0.00    +0.161 C 
ATOM     16  C   LIG    1        7.442   1.926   0.767  0.00  0.00    +0.043 C 
ATOM     17  C   LIG    1        6.019   1.679   0.248  0.00  0.00    +0.087 C 
ENDBRANCH   5  11
BRANCH   9  18
ATOM     18  C   LIG    1       -0.845  -2.096  -0.082  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.307  -1.912  -0.521  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.340  -1.874  -1.958  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -2.084  -2.760  -2.273  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.913  -0.612   0.065  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.378  -0.442   0.022  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.921  -0.447  -1.345  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.426  -0.255  -1.383  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -7.217  -0.549  -0.257  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -8.610  -0.407  -0.330  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -9.216  -0.000  -1.518  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.436   0.274  -2.640  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.561  -0.951   1.040  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.048   0.145  -2.575  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.104  -1.403   0.857  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 6