REMARK  Name = BDB016525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.903  -1.015  -2.917  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.280  -0.052  -2.041  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.880  -0.435  -0.825  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.353   0.681  -0.263  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.933   0.673   1.152  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        1.328  -0.452   1.686  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        1.202  -0.390   2.687  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        1.075  -1.717   1.023  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1       -0.153  -2.428   1.585  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -0.554  -3.595   0.675  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1       -2.016  -3.915   0.788  0.00  0.00    -0.029 C 
ATOM     12  C   LIG    1       -2.994  -3.420   0.007  0.00  0.00    -0.008 C 
ATOM     13  C   LIG    1       -2.857  -2.450  -1.142  0.00  0.00    +0.170 C 
ATOM     14  N   LIG    1       -2.955  -1.065  -0.694  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -4.132  -0.581  -0.243  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -3.794   0.595   0.292  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -2.419   0.891   0.148  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.623   1.985   0.674  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1       -0.500   2.323  -0.010  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        0.231   3.350   0.504  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        1.364   3.886  -0.299  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        2.108   3.122  -1.162  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        2.595   3.697  -1.839  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.575   5.104  -0.280  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1       -0.110   4.040   1.667  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -1.250   3.658   2.357  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.022   2.621   1.851  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -1.927  -0.171  -0.581  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        2.125   1.634   1.900  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        2.434   1.780  -1.182  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.061   1.260  -2.296  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0