REMARK  Name = BDB001016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.409   3.139  -0.147  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.890   2.031  -0.086  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -2.706   0.778  -0.038  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.060  -0.474   0.032  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1       -2.834  -1.637   0.077  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -4.230  -1.552   0.053  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.862  -0.309  -0.016  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.601  -0.496   0.053  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        0.303  -1.695   0.124  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        1.655  -1.028   0.111  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1        1.501   0.371   0.041  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        2.600   1.210   0.017  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        3.872   0.616   0.063  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1        4.028  -0.787   0.133  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        2.907  -1.620   0.157  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        0.078   0.658   0.007  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -4.102   0.859  -0.061  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -0.517   1.875  -0.060  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1        0.029   2.725  -0.093  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  20
ATOM     20  N   LIG    1        5.065   1.472   0.039  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        4.893   2.698  -0.023  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        6.173   0.919   0.082  0.00  0.00    -0.126 OA
ENDBRANCH  13  20
TORSDOF 1