REMARK  Name = BDB028261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.121  -0.120  -0.184  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.327   0.246   0.431  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.248  -0.736   0.820  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.965  -2.077   0.574  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.949  -3.102   0.960  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        5.106  -2.641   1.539  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.799  -3.333   1.808  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        5.408  -1.342   1.807  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.739  -4.294   0.768  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.767  -2.451  -0.045  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        4.539  -0.427   1.485  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.848  -1.472  -0.424  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     13  N   LIG    1       -3.442   0.379   0.453  0.00  0.00    -0.293 NA
ATOM     14  C   LIG    1       -1.998   0.219   0.745  0.00  0.00    +0.140 C 
ATOM     15  C   LIG    1       -1.133   1.003  -0.181  0.00  0.00    +0.061 A 
ATOM     16  N   LIG    1       -1.618   2.130  -0.788  0.00  0.00    -0.265 N 
ATOM     17  N   LIG    1       -0.720   2.780  -1.546  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        0.382   2.035  -1.419  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -2.991   2.586  -0.705  0.00  0.00    +0.159 C 
ATOM     20  C   LIG    1        0.184   0.904  -0.592  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -3.741   1.830   0.396  0.00  0.00    +0.108 C 
BRANCH  13  23
ATOM     22  C   LIG    1       -5.377  -0.139  -1.061  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -3.894  -0.391  -0.733  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -3.727  -1.905  -0.517  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH   1  20
BRANCH  11  25
ATOM     25  C   LIG    1        4.899   1.020   1.813  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.344   1.693   0.592  0.00  0.00    -0.325 NA
ATOM     27  H   LIG    1        6.161   1.193   0.233  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1        5.683   2.624   0.834  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH  11  25
TORSDOF 4