REMARK  Name = BDB046984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.786  -0.274   0.132  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.905   0.850   0.269  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -0.382   0.455  -0.137  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.471   1.355  -0.124  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -2.857   1.041  -0.557  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -3.308  -0.248  -0.661  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -4.297  -0.287  -0.883  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -2.653  -1.454  -0.213  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -1.360  -1.714  -0.964  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1       -3.643   1.949  -0.820  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.220   2.673   0.306  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        0.043   3.080   0.718  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.274  -0.869  -0.502  0.00  0.00    -0.344 N 
ATOM     14  C   LIG    1        1.105   2.179   0.704  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        1.015  -1.313  -0.353  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        3.953  -1.628   0.184  0.00  0.00    +0.091 C 
ATOM     17  C   LIG    1        3.220  -0.332   0.433  0.00  0.00    +0.162 C 
ATOM     18  O   LIG    1        3.830   0.639   0.880  0.00  0.00    -0.292 OA
ENDBRANCH   1  17
TORSDOF 1