REMARK  Name = BDB028139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.297   0.614  -1.191  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.291   0.775  -0.206  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.652   0.791  -0.545  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.028   0.631  -1.874  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.458   0.617  -2.221  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.335   0.758  -1.174  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.327   0.748  -1.394  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.003   0.935   0.133  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.832   0.485  -3.381  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.060   0.471  -2.869  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.740   0.965   0.451  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.706   0.466  -2.527  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        2.977  -0.223   0.534  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1        1.621  -0.219   0.202  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        1.129   0.596  -0.828  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.070   1.387  -1.487  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        3.393   1.413  -1.202  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        3.814   0.605  -0.199  0.00  0.00    +0.156 A 
BRANCH  13  19
ATOM     19  O   LIG    1        3.322  -1.064   1.551  0.00  0.00    -0.491 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.515  -2.046   1.211  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        4.674  -1.065   2.009  0.00  0.00    +0.226 C 
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  22
ATOM     22  C   LIG    1       -3.399   1.183   1.922  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.025  -0.099   2.525  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -3.817  -0.739   2.427  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -2.908   0.032   3.529  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 5