REMARK  Name = BDB016335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585   1.029  -0.689  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -1.854   0.444  -0.396  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -1.904  -0.943  -0.280  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.245  -1.410  -0.916  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.045  -1.760   0.080  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.296  -1.339  -0.652  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.944  -0.152  -0.018  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.245   0.994   0.181  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.855   1.733   0.510  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.141  -0.171   0.284  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.177  -1.862   1.599  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.907   1.335  -0.093  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.667   2.727  -0.067  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.423   3.267  -0.378  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.380   2.418  -0.704  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        1.744   0.474  -0.328  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        1.676   1.184   0.391  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        0.584   0.156  -1.010  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        0.431  -0.766  -1.802  0.00  0.00    -0.270 OA
BRANCH  16  23
ATOM     20  C   LIG    1        6.408   0.078   1.212  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1        5.299  -0.324   0.292  0.00  0.00    -0.031 A 
ATOM     22  C   LIG    1        4.030   0.257   0.385  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        2.997  -0.161  -0.460  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        3.293  -1.167  -1.374  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1        4.510  -1.762  -1.483  0.00  0.00    -0.261 NA
ATOM     26  C   LIG    1        5.477  -1.332  -0.646  0.00  0.00    +0.114 A 
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 2