REMARK  Name = BDB028518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.591   0.622  -1.390  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.416   0.594  -0.481  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.683   0.049  -0.621  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.727   0.117   0.407  0.00  0.00    +0.134 C 
ATOM      5  C   LIG    1       -5.151  -0.224  -0.082  0.00  0.00    +0.106 C 
ATOM      6  C   LIG    1       -5.378   0.300  -1.510  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -4.258  -0.044  -2.502  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1       -3.015  -0.644  -1.855  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -1.157   1.130   0.758  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -1.539   0.594   1.522  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -5.499  -1.625   0.140  0.00  0.00    -0.332 N 
ATOM     12  C   LIG    1       -5.745  -2.601  -0.783  0.00  0.00    +0.199 A 
ATOM     13  N   LIG    1       -6.066  -3.741  -0.214  0.00  0.00    -0.244 NA
ATOM     14  C   LIG    1       -6.052  -3.492   1.131  0.00  0.00    +0.130 A 
ATOM     15  C   LIG    1       -5.718  -2.182   1.376  0.00  0.00    +0.107 A 
ENDBRANCH   5  11
BRANCH   9  16
ATOM     16  C   LIG    1        0.167   1.675   1.042  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.159   0.555   1.399  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.689  -0.098   2.599  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.793   0.529   3.335  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.598   1.075   1.631  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.160   1.911   0.560  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        3.319   1.193  -0.722  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        4.490   0.234  -0.768  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.601   0.409   0.077  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.690  -0.468  -0.017  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.686  -1.499  -0.956  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.594  -1.665  -1.804  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.594   1.492   1.126  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        4.503  -0.801  -1.715  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.455   2.506   0.935  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   9  16
TORSDOF 6