REMARK  Name = BDB060367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.593  -1.266   0.940  0.00  0.00    +0.236 C 
ATOM      2  N   LIG    1       -1.373  -0.974   0.329  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.228   0.084  -0.677  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.193   0.507  -0.706  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        1.275  -0.200  -0.230  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.111  -1.487   0.371  0.00  0.00    +0.088 A 
ATOM      7  N   LIG    1        2.066  -2.222   0.843  0.00  0.00    -0.174 NA
ATOM      8  N   LIG    1        3.397  -1.936   0.890  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        3.935  -2.683   1.324  0.00  0.00    +0.192 HD
ATOM     10  C   LIG    1        4.224  -0.902   0.501  0.00  0.00    +0.273 A 
ATOM     11  C   LIG    1        3.774   0.333  -0.159  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        4.705   1.324  -0.516  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.285   2.494  -1.137  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        2.944   2.737  -1.429  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        2.029   1.744  -1.069  0.00  0.00    +0.051 A 
ATOM     16  F   LIG    1        5.196   3.421  -1.466  0.00  0.00    -0.205 F 
ATOM     17  O   LIG    1        5.434  -1.023   0.723  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        2.428   0.557  -0.445  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1        0.658   1.690  -1.217  0.00  0.00    -0.356 N 
ATOM     20  H   LIG    1        0.095   2.421  -1.634  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1       -0.331  -2.021   0.394  0.00  0.00    +0.166 C 
ATOM     22  O   LIG    1       -2.780  -2.263   1.629  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  23
ATOM     23  C   LIG    1       -3.723  -0.267   0.781  0.00  0.00    +0.094 C 
ATOM     24  C   LIG    1       -4.426  -0.115  -0.548  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1       -5.128  -0.802   0.579  0.00  0.00    +0.033 C 
BRANCH  23  26
ATOM     26  N   LIG    1       -3.593   0.921   1.661  0.00  0.00    -0.317 NA
ATOM     27  H   LIG    1       -2.606   1.129   1.822  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -3.949   0.674   2.587  0.00  0.00    +0.119 HD
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 2