REMARK  Name = BDB012472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.062  -0.007   2.669  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1       -2.954  -0.218   1.440  0.00  0.00    +0.138 C 
ATOM      3  N   LIG    1       -2.887   0.944   0.521  0.00  0.00    -0.222 N 
ATOM      4  N   LIG    1       -1.637   1.297   0.075  0.00  0.00    -0.168 NA
ATOM      5  C   LIG    1       -1.512   2.274  -0.766  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -2.629   3.099  -1.246  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.840   2.753  -0.800  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -0.148   2.529  -1.298  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.638   1.393  -1.527  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.005   1.476  -1.809  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1        2.554   2.750  -1.983  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        1.758   3.897  -1.823  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.838   0.212  -1.892  0.00  0.00    +0.160 C 
ATOM     14  N   LIG    1        2.636  -0.649  -0.727  0.00  0.00    -0.307 N 
ATOM     15  C   LIG    1        1.723  -1.684  -0.606  0.00  0.00    +0.204 A 
ATOM     16  N   LIG    1        1.639  -2.091   0.638  0.00  0.00    -0.214 NA
ATOM     17  C   LIG    1        2.556  -1.354   1.340  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1        2.882  -1.405   2.703  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        3.858  -0.533   3.196  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.495   0.376   2.350  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.181   0.443   0.987  0.00  0.00    +0.028 A 
ATOM     22  N   LIG    1        1.008  -2.173  -1.677  0.00  0.00    -0.252 N 
ATOM     23  H   LIG    1        1.514  -2.247  -2.548  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        0.012  -3.119  -1.558  0.00  0.00    +0.250 C 
ATOM     25  O   LIG    1       -0.030  -4.022  -2.398  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1       -1.134  -2.956  -0.602  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -1.426  -1.751   0.053  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -2.057  -4.005  -0.498  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -3.240  -3.843   0.227  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.531  -2.621   0.839  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        3.208  -0.446   0.512  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1        0.409   3.792  -1.461  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -4.038   1.610   0.128  0.00  0.00    +0.268 A 
ATOM     34  O   LIG    1       -5.180   1.336   0.490  0.00  0.00    -0.266 OA
ATOM     35  C   LIG    1       -2.631  -1.551   0.757  0.00  0.00    -0.023 A 
ENDROOT
TORSDOF 0