REMARK  Name = BDB039983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.260   0.365   0.744  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        0.030  -0.088   0.375  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.164   0.739   0.352  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.993   2.081   0.714  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.262   2.569   1.077  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.367   1.721   1.091  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.444   0.246  -0.026  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.757  -1.063  -0.408  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        2.066  -2.061  -0.508  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.194  -1.088  -0.708  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.973  -2.152  -1.125  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.329  -1.913  -1.344  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.870  -0.628  -1.144  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        6.065   0.446  -0.720  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.713   0.186  -0.506  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.621   1.104  -0.062  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.632   1.823  -0.503  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        6.450   2.259   0.774  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.967   1.913  -0.746  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.039   2.755  -1.299  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.530  -0.630   0.753  0.00  0.00    +0.008 C 
ATOM     22  C   LIG    1       -3.549  -0.470   1.941  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1       -3.639  -2.005   2.028  0.00  0.00    +0.168 C 
ATOM     24  F   LIG    1       -3.722  -2.525   3.272  0.00  0.00    -0.245 F 
ATOM     25  C   LIG    1       -2.252  -2.057   1.361  0.00  0.00    +0.049 C 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.151  -0.720  -0.665  0.00  0.00    +0.088 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -6.221  -0.786  -1.212  0.00  0.00    +0.151 C 
ATOM     28  N   LIG    1       -5.374   0.376  -1.248  0.00  0.00    -0.320 N 
ATOM     29  C   LIG    1       -4.022   0.441  -1.017  0.00  0.00    +0.134 A 
ATOM     30  N   LIG    1       -3.641   1.693  -1.173  0.00  0.00    -0.135 NA
ATOM     31  N   LIG    1       -4.744   2.451  -1.481  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1       -5.777   1.645  -1.527  0.00  0.00    +0.224 A 
ENDBRANCH  26  29
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5