REMARK  Name = BDB008286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.469  -1.952   1.336  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1        0.740  -0.891   0.945  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -0.589  -1.029   0.755  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1       -1.233  -2.229   0.983  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -0.483  -3.319   1.423  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.888  -3.180   1.607  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.642  -0.732   1.283  0.00  0.00    +0.268 C 
ATOM      8  N   LIG    1        2.845  -1.824   1.547  0.00  0.00    -0.265 N 
ATOM      9  H   LIG    1        3.315  -2.554   2.061  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1        4.735  -0.625   1.841  0.00  0.00    -0.268 OA
BRANCH   7  15
ATOM     11  C   LIG    1        2.002   3.175  -2.558  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1        2.476   2.186  -1.540  0.00  0.00    -0.032 A 
ATOM     13  C   LIG    1        2.494   0.822  -1.821  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1        2.871  -0.130  -0.941  0.00  0.00    -0.250 NA
ATOM     15  C   LIG    1        3.218   0.302   0.301  0.00  0.00    +0.126 A 
ATOM     16  C   LIG    1        3.254   1.639   0.676  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        2.862   2.592  -0.260  0.00  0.00    +0.007 A 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  N   LIG    1       -1.164   0.152   0.298  0.00  0.00    -0.269 N 
ATOM     19  H   LIG    1       -0.452   0.844   0.098  0.00  0.00    +0.156 HD
ATOM     20  C   LIG    1       -2.420   0.604   0.048  0.00  0.00    +0.235 C 
ATOM     21  O   LIG    1       -2.524   1.733  -0.449  0.00  0.00    -0.274 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.674  -0.232   0.356  0.00  0.00    +0.135 C 
ATOM     23  C   LIG    1       -4.911   0.663   0.457  0.00  0.00    +0.033 C 
BRANCH  22  24
ATOM     24  N   LIG    1       -3.885  -1.222  -0.718  0.00  0.00    -0.320 NA
ATOM     25  H   LIG    1       -4.804  -1.650  -0.605  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -3.930  -0.722  -1.610  0.00  0.00    +0.119 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   3  18
TORSDOF 5