REMARK  Name = BDB028266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.505   0.994  -0.223  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.487   0.120   0.246  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.842   0.457   0.123  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.197   1.675  -0.449  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.621   2.035  -0.548  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.513   1.122  -0.043  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.499   1.356  -0.098  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.202  -0.084   0.506  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.979   3.093  -1.054  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.215   2.557  -0.913  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.947  -0.422   0.585  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.133   2.214  -0.799  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1       -4.873  -1.436  -0.649  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1       -3.873  -0.405  -0.270  0.00  0.00    +0.107 A 
ATOM     15  N   LIG    1       -2.550  -0.436  -0.652  0.00  0.00    -0.331 N 
ATOM     16  C   LIG    1       -1.946  -1.423  -1.518  0.00  0.00    +0.150 C 
ATOM     17  C   LIG    1       -1.917   0.655  -0.090  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1       -2.928   1.318   0.578  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1       -4.120   0.658   0.466  0.00  0.00    -0.240 NA
ENDBRANCH   1  17
BRANCH  11  20
ATOM     20  C   LIG    1        2.634  -1.790   1.184  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.168  -1.619   2.561  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1        2.900  -1.139   3.090  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        2.078  -2.536   2.997  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 3