REMARK  Name = BDB016435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.376   0.156  -0.217  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1       -4.542  -1.177  -0.162  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -3.444  -1.937  -0.054  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.143  -1.414  -0.027  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.997  -2.268   0.061  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -1.224  -3.642   0.213  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.516  -4.162   0.191  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.108  -0.023  -0.087  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -3.606  -3.308   0.046  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -3.191   0.776  -0.194  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.743   2.238   0.294  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -5.582   0.990  -0.356  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -6.634   0.537  -1.185  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -7.790   1.292  -1.389  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.928   2.524  -0.767  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.915   2.994   0.066  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -4.210   1.876   2.125  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.704   2.792   1.246  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -5.212   3.786   2.041  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -3.640   3.364   0.619  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1        0.292  -1.715   0.116  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        0.391  -0.893  -0.475  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.475  -2.563   0.039  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.707  -1.690  -0.001  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        3.450  -1.548  -1.178  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.582  -0.726  -1.208  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        4.998  -0.021  -0.068  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        4.242  -0.163   1.105  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        3.110  -0.983   1.140  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.189   0.844  -0.103  0.00  0.00    -0.018 A 
ATOM     31  C   LIG    1        7.229   0.682   0.828  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        8.361   1.501   0.796  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        8.471   2.499  -0.170  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.452   2.677  -1.101  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        6.322   1.856  -1.068  0.00  0.00    +0.008 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6