REMARK  Name = BDB012459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.081  -2.783   3.288  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.311  -2.362   2.150  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        0.485  -2.921   1.018  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.912  -2.130  -0.053  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.826  -2.607  -1.010  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        2.293  -3.920  -0.890  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        1.864  -4.728   0.167  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.287  -1.706  -2.141  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1        2.984  -0.505  -1.669  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1        2.192   0.455  -1.081  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1        2.760   1.474  -0.521  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1        4.213   1.724  -0.534  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.965   0.790  -1.120  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1        1.894   2.420   0.227  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        0.860   1.865   0.990  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -0.041   2.688   1.652  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        0.106   4.071   1.607  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        1.149   4.630   0.858  0.00  0.00    +0.004 A 
ATOM     19  O   LIG    1       -1.030   2.081   2.375  0.00  0.00    -0.490 OA
ATOM     20  C   LIG    1       -2.319   2.284   1.779  0.00  0.00    +0.250 C 
ATOM     21  C   LIG    1       -3.137   1.000   1.911  0.00  0.00    +0.166 C 
ATOM     22  N   LIG    1       -2.842   0.035   0.863  0.00  0.00    -0.308 N 
ATOM     23  C   LIG    1       -1.956  -1.025   0.911  0.00  0.00    +0.203 A 
ATOM     24  N   LIG    1       -1.977  -1.692  -0.219  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -2.868  -1.048  -1.034  0.00  0.00    +0.091 A 
ATOM     26  C   LIG    1       -3.245  -1.346  -2.351  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -4.189  -0.528  -2.982  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.745   0.564  -2.314  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.380   0.875  -0.999  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -3.433   0.043  -0.385  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1        2.041   3.807   0.160  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        4.367  -0.430  -1.714  0.00  0.00    +0.268 A 
ATOM     33  O   LIG    1        5.110  -1.276  -2.205  0.00  0.00    -0.266 OA
ATOM     34  C   LIG    1        0.976  -4.227   1.123  0.00  0.00    +0.013 A 
ATOM     35  N   LIG    1       -1.201  -1.319   2.021  0.00  0.00    -0.252 N 
ATOM     36  H   LIG    1       -1.455  -0.909   2.907  0.00  0.00    +0.158 HD
ENDROOT
TORSDOF 0