REMARK  Name = BDB053855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.212  -0.194  -1.840  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.410   0.012  -0.637  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1        0.532  -0.312   0.341  0.00  0.00    -0.294 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.704   0.698  -0.198  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -2.892   0.314  -1.121  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1       -4.170   1.064  -0.663  0.00  0.00    +0.055 C 
ATOM      7  C   LIG    1       -3.863   2.308   0.179  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1       -2.701   3.033  -0.322  0.00  0.00    -0.315 NA
ATOM      9  H   LIG    1       -2.868   3.245  -1.311  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -1.476   2.220  -0.241  0.00  0.00    +0.096 C 
BRANCH   5  11
ATOM     11  C   LIG    1       -3.212  -1.186  -1.195  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -3.708  -1.749  -2.388  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.023  -3.104  -2.462  0.00  0.00    +0.159 A 
ATOM     14  F   LIG    1       -4.494  -3.608  -3.610  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1       -3.862  -3.922  -1.354  0.00  0.00    +0.158 A 
ATOM     16  F   LIG    1       -4.168  -5.225  -1.423  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -3.394  -3.393  -0.158  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -3.080  -2.031  -0.075  0.00  0.00    +0.009 A 
ENDBRANCH   5  11
BRANCH   5  19
ATOM     19  O   LIG    1       -2.615   0.783  -2.458  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1       -1.754   0.385  -2.716  0.00  0.00    +0.211 HD
ENDBRANCH   5  19
ENDBRANCH   2   4
BRANCH   3  21
ATOM     21  C   LIG    1        0.260  -0.269   1.760  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        1.321  -0.112   2.820  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        0.383   1.017   2.537  0.00  0.00    +0.024 C 
ENDBRANCH   3  21
BRANCH   3  24
ATOM     24  C   LIG    1        1.761  -0.986  -0.097  0.00  0.00    +0.145 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.861   0.013  -0.306  0.00  0.00    -0.002 A 
ATOM     26  C   LIG    1        4.194  -0.066   0.222  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        4.892   1.060  -0.221  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        6.229   1.307   0.119  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1        6.878   0.376   0.937  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        6.214  -0.759   1.395  0.00  0.00    +0.039 A 
ATOM     31  N   LIG    1        4.028   1.790  -1.003  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1        4.263   2.657  -1.466  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1        4.883  -0.984   1.041  0.00  0.00    +0.133 A 
ATOM     34  F   LIG    1        4.268  -2.085   1.498  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        2.812   1.167  -1.069  0.00  0.00    +0.089 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6