REMARK  Name = BDB028724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.522   2.489   1.477  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        0.400   1.681   0.875  0.00  0.00    -0.042 A 
ATOM      3  C   LIG    1        0.644   0.536   0.085  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1       -0.454  -0.176  -0.442  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -1.770   0.239  -0.204  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.997   1.367   0.573  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -3.381   1.789   0.842  0.00  0.00    +0.272 A 
ATOM      8  N   LIG    1       -4.369   1.004   0.299  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1       -5.330   1.277   0.477  0.00  0.00    +0.192 HD
ATOM     10  N   LIG    1       -4.181  -0.099  -0.476  0.00  0.00    -0.174 NA
ATOM     11  O   LIG    1       -3.627   2.783   1.516  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -2.961  -0.471  -0.735  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -0.924   2.091   1.106  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  14
ATOM     14  C   LIG    1        2.001   0.054  -0.201  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        2.512  -1.095   0.417  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.804  -1.533   0.120  0.00  0.00    +0.070 A 
ATOM     17  C   LIG    1        4.548  -0.805  -0.795  0.00  0.00    +0.129 A 
ATOM     18  N   LIG    1        4.093   0.306  -1.419  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        2.836   0.706  -1.110  0.00  0.00    +0.119 A 
BRANCH  16  20
ATOM     20  C   LIG    1        4.353  -2.698   0.737  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        4.799  -3.645   1.237  0.00  0.00    -0.191 NA
ENDBRANCH  16  20
ENDBRANCH   3  14
BRANCH  12  22
ATOM     22  C   LIG    1       -2.782  -1.701  -1.620  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.417  -2.848  -0.785  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -2.410  -3.687  -1.365  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -3.169  -2.999  -0.107  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  12  22
TORSDOF 4