REMARK  Name = BDB020182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.464   0.994   0.557  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.263   0.775   0.422  0.00  0.00    +0.222 C 
ATOM      3  C   LIG    1       -2.598  -0.580  -0.029  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -1.400  -1.022   0.871  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.599   0.073   0.056  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1       -0.963   1.579   0.536  0.00  0.00    +0.230 C 
ATOM      7  O   LIG    1       -0.208   2.518   0.779  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.515  -0.408  -1.141  0.00  0.00    +0.033 C 
ATOM      9  N   LIG    1       -2.330   1.762   0.670  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -2.659   2.670   0.965  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        0.970  -0.100  -0.086  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1        1.643   0.168  -1.295  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        3.026   0.011  -1.427  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.783  -0.421  -0.343  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.157  -0.689   0.868  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        1.773  -0.528   0.991  0.00  0.00    +0.004 A 
ENDBRANCH   5  11
TORSDOF 1