REMARK  Name = BDB039926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.044   0.825  -0.264  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        2.190   1.275  -0.929  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        2.349   2.142  -1.767  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.316   0.478  -0.426  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        4.654   0.551  -0.779  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        5.583  -0.318  -0.173  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        5.071  -1.217   0.805  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        3.708  -1.287   1.162  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        2.839  -0.416   0.519  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        1.364  -0.241   0.674  0.00  0.00    +0.150 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.691   1.215   0.187  0.00  0.00    -0.035 A 
ATOM     12  C   LIG    1       -1.348   0.779   0.316  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.284   1.304  -0.444  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -0.586   2.301  -1.373  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -1.896   2.748  -1.542  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.927   2.212  -0.774  0.00  0.00    +0.004 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -3.872   0.604   1.085  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -4.919   1.587   1.687  0.00  0.00    +0.174 C 
ATOM     19  O   LIG    1       -4.862   0.890   2.963  0.00  0.00    -0.378 OA
ATOM     20  C   LIG    1       -3.553   0.374   2.593  0.00  0.00    +0.174 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.470  -0.671   0.455  0.00  0.00    +0.092 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -7.545  -1.177   0.499  0.00  0.00    +0.151 C 
ATOM     23  N   LIG    1       -6.787  -0.628  -0.594  0.00  0.00    -0.320 N 
ATOM     24  C   LIG    1       -5.436  -0.396  -0.648  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1       -5.151   0.105  -1.833  0.00  0.00    -0.135 NA
ATOM     26  N   LIG    1       -6.318   0.220  -2.548  0.00  0.00    -0.138 NA
ATOM     27  C   LIG    1       -7.291  -0.229  -1.793  0.00  0.00    +0.224 A 
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   6  28
ATOM     28  C   LIG    1        7.146  -0.270  -0.529  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1        7.910  -1.607  -0.731  0.00  0.00    +0.090 C 
ATOM     30  N   LIG    1        7.749  -1.452  -2.192  0.00  0.00    -0.315 NA
ATOM     31  H   LIG    1        6.900  -1.894  -2.549  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        7.592   0.004  -1.991  0.00  0.00    +0.090 C 
ENDBRANCH   6  28
BRANCH   8  33
ATOM     33  C   LIG    1        3.207  -2.254   2.199  0.00  0.00    +0.418 C 
ATOM     34  F   LIG    1        4.176  -3.050   2.725  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        2.256  -3.093   1.703  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        2.623  -1.620   3.253  0.00  0.00    -0.166 F 
ENDBRANCH   8  33
TORSDOF 6