REMARK  Name = BDB035024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.977  -1.100   2.572  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -4.075  -0.562   1.499  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -4.463  -0.559   0.151  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1       -3.721  -0.073  -0.859  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -2.517   0.429  -0.509  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -2.051   0.454   0.797  0.00  0.00    +0.066 A 
ATOM      7  N   LIG    1       -0.803   1.026   0.773  0.00  0.00    -0.354 N 
ATOM      8  H   LIG    1       -0.200   1.136   1.585  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -0.455   1.365  -0.522  0.00  0.00    +0.054 A 
ATOM     10  C   LIG    1       -1.517   0.998  -1.332  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -2.819  -0.046   1.845  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   3  12
ATOM     12  N   LIG    1       -5.710  -1.065  -0.231  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -5.822  -2.024   0.074  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.749  -0.988  -1.245  0.00  0.00    +0.144 HD
ENDBRANCH   3  12
BRANCH   9  15
ATOM     15  C   LIG    1        0.858   2.013  -0.873  0.00  0.00    +0.233 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.947   1.073  -0.659  0.00  0.00    -0.212 N 
ATOM     17  C   LIG    1        2.329   0.567   0.552  0.00  0.00    +0.255 C 
ATOM     18  O   LIG    1        1.831   0.749   1.648  0.00  0.00    -0.269 OA
ATOM     19  C   LIG    1        3.498  -0.274   0.306  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        3.779  -0.208  -1.047  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.839  -0.892  -1.609  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.626  -1.665  -0.749  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.340  -1.732   0.631  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.261  -1.027   1.176  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        2.789   0.676  -1.658  0.00  0.00    +0.255 C 
ATOM     26  O   LIG    1        2.777   0.984  -2.834  0.00  0.00    -0.269 OA
ENDBRANCH  15  16
BRANCH  15  27
ATOM     27  C   LIG    1        1.067   3.284  -0.143  0.00  0.00    +0.092 C 
ATOM     28  N   LIG    1        1.251   4.279   0.428  0.00  0.00    -0.194 NA
ENDBRANCH  15  27
ENDBRANCH   9  15
TORSDOF 4