REMARK  Name = BDB049467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.493  -2.517   0.126  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -2.169  -1.111  -0.095  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -0.820  -0.686  -0.071  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.493   0.703  -0.030  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        0.865   1.137   0.003  0.00  0.00    -0.004 A 
ATOM      6  C   LIG    1        1.890   0.149  -0.013  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        3.340   0.483   0.096  0.00  0.00    +0.233 C 
ATOM      8  O   LIG    1        3.763   1.526   0.573  0.00  0.00    -0.283 OA
ATOM      9  C   LIG    1        4.345  -0.568  -0.351  0.00  0.00    +0.226 C 
ATOM     10  O   LIG    1        5.477  -0.271  -0.701  0.00  0.00    -0.284 OA
ATOM     11  C   LIG    1        3.903  -1.971  -0.325  0.00  0.00    +0.055 C 
ATOM     12  C   LIG    1        2.605  -2.258  -0.193  0.00  0.00    +0.012 C 
ATOM     13  C   LIG    1        1.575  -1.215  -0.114  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        1.105   2.536   0.022  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        0.074   3.474   0.009  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.240   3.047  -0.026  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -1.523   1.677  -0.036  0.00  0.00    -0.036 A 
ATOM     18  C   LIG    1       -2.958   1.225  -0.120  0.00  0.00    +0.054 C 
ATOM     19  C   LIG    1        0.234  -1.610  -0.143  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1       -3.104  -0.152   0.512  0.00  0.00    +0.109 C 
ENDROOT
TORSDOF 0