REMARK  Name = BDB006060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.601   0.406   1.618  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.431   0.166   1.341  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.952   0.228  -0.047  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.619  -0.054  -0.284  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.064  -0.031  -1.572  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.701  -0.324  -1.831  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -0.962  -0.621  -0.796  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -1.452  -0.650   0.490  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -0.804  -0.933   1.218  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.906   0.296  -2.636  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.260   0.588  -2.412  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.746  -0.397   0.845  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -3.174  -0.456   2.071  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -5.786   0.554  -1.116  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.495  -0.177   2.294  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -4.810  -0.224   3.259  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.519  -0.932  -0.997  0.00  0.00    +0.156 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.916  -1.958  -0.012  0.00  0.00    -0.305 NA
ATOM     19  H   LIG    1        0.434  -2.824  -0.262  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.359  -2.219  -0.071  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.184  -1.105   0.529  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        4.099  -0.388  -0.258  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        4.866   0.654   0.293  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        4.719   0.960   1.654  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        3.814   0.252   2.444  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.052  -0.774   1.885  0.00  0.00    +0.005 A 
BRANCH  23  27
ATOM     27  C   LIG    1        5.859   1.404  -0.560  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        7.075   0.792  -0.596  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        5.463   1.523  -1.858  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.092   2.674  -0.125  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 5