REMARK  Name = BDB049289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.473  -1.279   0.449  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.135  -0.856   0.377  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.119  -1.733   0.801  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.517  -2.982   1.260  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.602  -3.682   1.612  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1        0.578  -4.621   1.982  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1        1.719  -2.917   1.390  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1       -1.770  -3.461   1.358  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        1.308  -1.694   0.889  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.704  -2.569   0.940  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -5.684   1.266  -0.788  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1       -4.616   1.044  -1.647  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -3.568   0.212  -1.239  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.577  -0.405   0.025  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -4.672  -0.158   0.871  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.721   0.673   0.466  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1       -6.728   2.069  -1.142  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1       -6.563   2.417  -2.034  0.00  0.00    +0.292 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1        2.234  -0.623   0.558  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.367  -0.873  -0.222  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        4.254   0.162  -0.547  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.025   1.470  -0.095  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.886   1.710   0.689  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        2.000   0.677   1.013  0.00  0.00    +0.009 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.921   2.581  -0.409  0.00  0.00    +0.179 A 
ATOM     26  N   LIG    1        6.103   2.491  -1.095  0.00  0.00    -0.239 N 
ATOM     27  H   LIG    1        6.564   1.685  -1.493  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1        6.676   3.695  -1.210  0.00  0.00    -0.046 NA
ATOM     29  N   LIG    1        5.850   4.526  -0.594  0.00  0.00    -0.023 NA
ATOM     30  N   LIG    1        4.763   3.854  -0.092  0.00  0.00    -0.108 NA
ENDBRANCH  22  25
ENDBRANCH   9  19
TORSDOF 4