REMARK  Name = BDB046334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.037  -2.651  -1.549  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -1.386  -1.633  -1.297  0.00  0.00    +0.230 C 
ATOM      3  N   LIG    1       -0.064  -1.690  -0.849  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        0.581  -0.544  -0.204  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1        2.073  -0.719  -0.037  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1        2.713  -1.860  -0.362  0.00  0.00    +0.026 A 
ATOM      7  N   LIG    1        4.075  -1.980  -0.233  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1        4.537  -2.843  -0.492  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1        4.913  -0.992   0.223  0.00  0.00    +0.257 A 
ATOM     10  C   LIG    1        4.267   0.283   0.615  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.061   1.328   1.107  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        4.467   2.527   1.491  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.087   2.678   1.385  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.296   1.633   0.893  0.00  0.00    +0.009 A 
ATOM     15  O   LIG    1        6.124  -1.161   0.303  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        1.977  -3.068  -0.871  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1        2.872   0.416   0.494  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1        0.490  -3.002  -0.540  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1       -2.026  -0.250  -1.511  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.299   0.444  -0.231  0.00  0.00    -0.294 NA
ATOM     21  C   LIG    1       -3.223  -0.345   0.608  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -3.899   0.509   1.679  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -4.760   1.604   1.052  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.266   2.007  -0.336  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -2.756   1.824  -0.462  0.00  0.00    +0.085 C 
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 2