REMARK  Name = BDB017657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.893   3.630  -1.771  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.576   2.525  -1.341  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.498   1.712  -0.504  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.851   2.307  -0.213  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.590   1.570   0.909  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -7.453   0.061   0.746  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -6.040  -0.293   0.674  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.886  -1.290   0.554  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -5.145   0.492  -0.050  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.786  -0.027  -0.339  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.930   0.738  -1.147  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.642   0.299  -1.470  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.168  -0.920  -0.970  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -2.007  -1.681  -0.146  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.296  -1.237   0.171  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.358   1.979  -1.629  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.749   2.548  -2.200  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.223  -1.409  -1.314  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.064  -1.641  -0.129  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.404  -0.371   0.560  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        2.369  -0.574   1.753  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        3.596  -1.291   1.346  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        3.269  -2.571   0.675  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.316  -2.333  -0.521  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.715  -0.597   0.883  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        4.714   0.775   0.595  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        5.862   1.441   0.142  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.067   0.753  -0.029  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        7.101  -0.607   0.287  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        5.946  -1.261   0.737  0.00  0.00    +0.023 A 
BRANCH  28  31
ATOM     31  C   LIG    1        8.309   1.472  -0.492  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        9.023   1.995   0.542  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.042   2.515  -1.327  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.171   0.666  -1.173  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 4