REMARK  Name = BDB046094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.531  -0.889  -1.054  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.359  -0.916  -0.678  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -2.747   0.302  -0.089  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.352   0.498   0.041  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -0.896   1.712   0.558  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.752   2.744   0.962  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.124   2.535   0.830  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.476   1.665   0.566  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        1.070   2.425   0.866  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        0.932   0.464   0.077  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -0.189  -0.291  -0.243  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -0.217  -1.692  -0.762  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.407  -2.477  -0.218  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -3.613   1.340   0.309  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -2.667  -2.091  -0.822  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -3.258  -2.830  -1.185  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.357   0.172  -0.039  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        2.913  -0.278  -1.234  0.00  0.00    +0.120 A 
ATOM     19  N   LIG    1        4.226  -0.566  -1.407  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        5.028  -0.396  -0.335  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        4.579   0.048   0.898  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        3.223   0.336   1.045  0.00  0.00    +0.013 A 
ENDBRANCH  10  17
TORSDOF 1