REMARK  Name = BDB016451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.005  -0.098  -0.611  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1        3.601  -1.374  -0.668  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        2.636  -1.764   0.175  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        2.009  -0.901   1.087  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.958  -1.362   1.948  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        0.658  -2.730   1.918  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        1.285  -3.587   1.016  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        2.519   0.396   1.046  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        2.254  -3.093   0.148  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.493   0.826   0.215  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        6.155  -0.487  -1.913  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        5.054   0.329  -1.554  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.964   1.611  -2.142  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        5.904   2.066  -3.069  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.965   1.249  -3.433  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        7.090  -0.015  -2.861  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1        6.207  -1.895   0.049  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        6.381  -1.855  -1.302  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        7.663  -2.299  -1.492  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.596  -2.829  -1.839  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1        0.368  -0.488   2.878  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        0.388   0.475   2.556  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -0.929  -0.764   3.494  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.051  -0.273   2.610  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.490   1.052   2.687  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.514   1.511   1.850  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -4.127   0.677   0.900  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -3.681  -0.650   0.842  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -2.655  -1.118   1.675  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  N   LIG    1       -5.157   1.189   0.094  0.00  0.00    -0.326 N 
ATOM     31  C   LIG    1       -4.732   2.318  -0.771  0.00  0.00    +0.133 C 
ATOM     32  C   LIG    1       -5.962   2.967  -1.428  0.00  0.00    +0.178 C 
ATOM     33  O   LIG    1       -6.742   2.011  -2.163  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -7.192   0.967  -1.285  0.00  0.00    +0.178 C 
ATOM     35  C   LIG    1       -6.007   0.228  -0.643  0.00  0.00    +0.133 C 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6