REMARK  Name = BDB027684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.635   0.868  -0.408  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.331   1.781  -1.431  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.937   1.647  -1.996  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.247   2.536  -3.015  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.436   3.515  -3.497  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.773   3.626  -2.921  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.822   0.724  -1.594  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.451  -0.085  -0.590  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.199   2.797  -1.900  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.253  -0.041   0.018  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.422  -1.093  -0.126  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        2.183  -1.876   1.014  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.126  -2.811   1.411  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.285  -3.030   0.759  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.512  -2.275  -0.334  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.630  -1.315  -0.804  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.907   0.915   0.200  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -2.598   0.817  -0.550  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -1.414   0.213   2.555  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1       -2.223  -0.095   1.286  0.00  0.00    +0.223 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.720  -0.043   1.652  0.00  0.00    +0.421 C 
ATOM     22  F   LIG    1       -4.510  -0.178   0.558  0.00  0.00    -0.168 F 
ATOM     23  F   LIG    1       -4.078  -1.004   2.535  0.00  0.00    -0.168 F 
ATOM     24  F   LIG    1       -4.049   1.148   2.214  0.00  0.00    -0.168 F 
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -2.067  -1.523   0.769  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1       -2.413  -1.919  -0.337  0.00  0.00    -0.248 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -1.515  -2.394   1.639  0.00  0.00    -0.479 OA
ATOM     28  H   LIG    1       -1.471  -3.237   1.137  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 6