REMARK  Name = BDB028366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.816   2.870  -3.615  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -0.682   1.990  -3.441  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.343   1.272  -2.313  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.792   0.555  -2.673  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        1.041   0.918  -4.013  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        0.163   1.809  -4.473  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.505  -0.377  -1.821  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.979   0.025  -0.563  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.648  -0.888   0.263  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.852  -2.193  -0.177  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.560  -3.142   0.697  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        3.972  -2.652   1.912  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.462  -3.294   2.528  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        3.781  -1.387   2.375  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.767  -4.299   0.349  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.391  -2.599  -1.434  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.156  -0.535   1.613  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.719  -1.691  -2.254  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        2.930   0.891   2.125  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.480   1.060   3.475  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        3.060   0.342   4.071  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.464   0.782   3.444  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.107   1.298  -1.061  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -1.891   0.205  -0.632  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1       -2.572   0.261   0.606  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -3.406  -0.897   1.099  0.00  0.00    +0.043 C 
ATOM     27  C   LIG    1       -3.731  -0.754   2.579  0.00  0.00    +0.046 C 
ATOM     28  C   LIG    1       -4.169   0.672   2.848  0.00  0.00    +0.229 C 
ATOM     29  O   LIG    1       -3.118   1.603   2.578  0.00  0.00    -0.492 OA
ATOM     30  C   LIG    1       -2.488   1.431   1.374  0.00  0.00    +0.125 A 
ATOM     31  C   LIG    1       -1.706   2.504   0.954  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -1.018   2.441  -0.255  0.00  0.00    +0.015 A 
BRANCH  24  33
ATOM     33  C   LIG    1       -2.009  -0.967  -1.459  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1       -2.124  -1.922  -2.110  0.00  0.00    -0.191 NA
ENDBRANCH  24  33
ENDBRANCH   3  23
TORSDOF 5