REMARK  Name = BDB046947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400  -0.037   1.242  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -1.249  -0.769   0.399  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.477  -0.223   0.067  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -3.530  -0.738  -0.836  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -4.660   0.221  -0.460  0.00  0.00    +0.234 C 
ATOM      6  O   LIG    1       -4.093   1.423   0.114  0.00  0.00    -0.491 OA
ATOM      7  C   LIG    1       -2.858   1.019   0.549  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -2.043   1.762   1.376  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -0.805   1.221   1.732  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1        3.970   0.983  -0.821  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1        3.477  -0.458  -0.888  0.00  0.00    +0.178 C 
ATOM     12  O   LIG    1        4.080  -1.211   0.174  0.00  0.00    -0.458 OA
ATOM     13  C   LIG    1        3.218  -1.311   1.224  0.00  0.00    +0.336 C 
ATOM     14  O   LIG    1        3.486  -1.752   2.326  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1        1.903  -0.806   0.772  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1        0.907  -0.566   1.636  0.00  0.00    +0.018 C 
ATOM     17  C   LIG    1        1.980  -0.596  -0.694  0.00  0.00    +0.086 C 
ENDBRANCH   1  16
TORSDOF 1