REMARK  Name = BDB003166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.022  -0.696   0.108  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1       -0.041   0.254  -0.244  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1        1.196  -1.312   0.331  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        1.390  -2.490   0.604  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.650  -4.142  -0.014  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1       -2.865  -2.884   0.013  0.00  0.00    +0.062 A 
ATOM      7  N   LIG    1       -3.437  -1.728  -0.328  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.480  -0.787  -0.107  0.00  0.00    -0.218 N 
ATOM      9  C   LIG    1       -1.235  -1.380   0.134  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1       -1.503  -2.719   0.327  0.00  0.00    +0.068 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -2.833   0.595  -0.141  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -3.986   0.988  -0.837  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -4.349   2.335  -0.894  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.578   3.294  -0.241  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.453   2.908   0.485  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.083   1.561   0.545  0.00  0.00    +0.028 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        2.389  -0.428   0.201  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        3.580  -0.986  -0.287  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        4.727  -0.187  -0.403  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        4.702   1.163  -0.030  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        3.510   1.703   0.469  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1        2.355   0.916   0.593  0.00  0.00    +0.046 A 
BRANCH  19  23
ATOM     23  N   LIG    1        5.969  -0.773  -0.925  0.00  0.00    +0.057 N 
ATOM     24  O   LIG    1        5.910  -1.913  -1.403  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        6.995  -0.084  -0.861  0.00  0.00    -0.126 OA
ENDBRANCH  19  23
BRANCH  21  26
ATOM     26  N   LIG    1        3.463   3.115   0.874  0.00  0.00    +0.057 N 
ATOM     27  O   LIG    1        2.356   3.583   1.173  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        4.526   3.746   0.883  0.00  0.00    -0.126 OA
ENDBRANCH  21  26
ENDBRANCH   3  17
TORSDOF 5