REMARK  Name = BDB046653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.219   0.281   0.445  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        3.859   0.314   0.085  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.292   1.539  -0.254  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        1.987   1.241  -0.554  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.295   1.901  -0.870  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        1.780  -0.107  -0.369  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        3.999   2.745  -0.258  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.348   2.692   0.107  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        2.905  -0.676   0.022  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        5.954   1.482   0.454  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.503  -0.795  -0.594  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -0.707  -0.106  -0.782  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -1.913  -0.800  -0.995  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -1.897  -2.201  -1.017  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.706  -2.897  -0.827  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.483  -2.197  -0.616  0.00  0.00    +0.011 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.212  -0.049  -1.200  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.205  -0.332  -0.162  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -5.496   0.292  -0.452  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -6.234   0.179   0.872  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -5.139   0.138   1.933  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -3.829   0.176   1.159  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1        6.666  -0.973   1.909  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        6.989  -1.879   2.224  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        6.563  -0.246   2.604  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.873  -0.994   0.791  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        5.746  -2.013   0.129  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 4