REMARK  Name = BDB000749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.500   0.991   0.416  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -5.028   1.150   0.370  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -4.000   0.226   0.269  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -4.123  -1.255   0.164  0.00  0.00    +0.039 C 
ATOM      5  C   LIG    1       -2.986  -2.044   0.816  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1       -1.693  -2.037  -0.003  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1       -0.899  -0.771   0.066  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        0.537  -0.675   0.004  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        0.877   0.684   0.088  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        2.196   1.163   0.062  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        3.186   0.198  -0.057  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1        4.690   0.363  -0.116  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1        5.247   0.966   1.172  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1        5.127   1.157  -1.346  0.00  0.00    +0.025 C 
ATOM     15  C   LIG    1        5.159  -1.106  -0.250  0.00  0.00    +0.227 C 
ATOM     16  O   LIG    1        6.308  -1.508  -0.335  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1        4.025  -1.907  -0.256  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        4.069  -2.912  -0.334  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        2.867  -1.154  -0.144  0.00  0.00    +0.038 A 
ATOM     20  N   LIG    1       -0.304   1.378   0.190  0.00  0.00    -0.353 N 
ATOM     21  H   LIG    1       -0.403   2.382   0.265  0.00  0.00    +0.166 HD
ATOM     22  C   LIG    1        1.569  -1.633  -0.119  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -1.367   0.522   0.173  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1       -2.828   1.018   0.268  0.00  0.00    +0.112 A 
ATOM     25  N   LIG    1       -3.088   2.325   0.371  0.00  0.00    -0.172 NA
ATOM     26  N   LIG    1       -4.426   2.376   0.433  0.00  0.00    -0.281 N 
ATOM     27  H   LIG    1       -4.868   3.286   0.515  0.00  0.00    +0.189 HD
ENDROOT
TORSDOF 0