REMARK  Name = BDB046979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.192  -1.812   0.506  0.00  0.00    +0.085 A 
ATOM      2  C   LIG    1       -1.226  -1.724   0.465  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.558  -0.426   0.045  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -2.907  -0.037  -0.125  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.372   1.289  -0.601  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -2.574   2.397  -0.524  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.058   3.242  -0.808  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -1.310   2.519   0.159  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -0.235   1.654  -0.475  0.00  0.00    +0.141 C 
ATOM     10  O   LIG    1       -4.504   1.419  -1.064  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.902  -0.998   0.144  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.587  -2.280   0.575  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.358   0.245  -0.126  0.00  0.00    -0.337 N 
ATOM     14  C   LIG    1       -2.255  -2.652   0.738  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.718  -0.597   0.108  0.00  0.00    +0.068 A 
ENDROOT
BRANCH  15  16
ATOM     16  C   LIG    1        2.119  -0.208  -0.050  0.00  0.00    -0.000 A 
ATOM     17  C   LIG    1        2.941  -0.054   1.075  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.278   0.317   0.922  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.789   0.528  -0.354  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        6.071   0.887  -0.499  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.990   0.373  -1.480  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        2.652   0.002  -1.330  0.00  0.00    +0.013 A 
ENDBRANCH  15  16
BRANCH   1  24
ATOM     23  N   LIG    1        1.565  -3.907   1.176  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        0.955  -2.968   0.869  0.00  0.00    +0.102 C 
ENDBRANCH   1  24
TORSDOF 2