REMARK  Name = BDB028179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.019   1.215  -1.290  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.025   0.311  -0.924  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.272   0.776  -0.494  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.513   2.146  -0.447  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.819   2.627   0.031  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.716   1.660   0.416  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.621   1.973   0.753  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.512   0.315   0.380  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.078   3.824   0.082  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.524   3.056  -0.839  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.367  -0.125  -0.056  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.277   2.590  -1.262  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.450  -0.963  -1.284  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        3.257  -0.236  -1.654  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        2.140  -0.011  -0.878  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1        1.286   0.728  -1.686  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        1.988   0.905  -2.896  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1        3.187   0.322  -2.878  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1        2.002  -0.439   0.516  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        1.563  -1.726   0.878  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        1.430  -2.065   2.233  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        1.728  -1.128   3.219  0.00  0.00    +0.042 A 
ATOM     23 CL   LIG    1        1.559  -1.551   4.877  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        2.159   0.149   2.872  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        2.294   0.493   1.526  0.00  0.00    +0.013 A 
BRANCH  20  26
ATOM     26  C   LIG    1        1.229  -2.715  -0.106  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1        0.961  -3.529  -0.889  0.00  0.00    -0.191 NA
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  28
ATOM     28  C   LIG    1       -3.166  -1.638  -0.095  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.324  -2.045   1.036  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -2.273  -3.064   1.042  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -2.817  -1.796   1.897  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5