REMARK  Name = BDB016437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.667   0.498   1.987  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.629   0.218   1.442  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.333  -0.945   1.788  0.00  0.00    +0.077 A 
ATOM      4  N   LIG    1       -2.534  -1.261   1.284  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -3.085  -0.409   0.403  0.00  0.00    +0.161 A 
ATOM      6  N   LIG    1       -2.536   0.749   0.021  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -0.769  -1.809   2.710  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.457  -1.534   3.308  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.326   1.030   0.548  0.00  0.00    +0.125 A 
ATOM     10  C   LIG    1        1.157  -0.381   2.961  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.412  -0.749  -0.140  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -4.788  -0.499  -1.482  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -6.098  -0.816  -1.907  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -7.020  -1.394  -1.037  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.653  -1.666   0.273  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.367  -1.348   0.713  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -3.826   0.088  -2.494  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -4.249  -0.111  -3.783  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -3.676   1.436  -2.386  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -2.579  -0.460  -2.460  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   5  11
BRANCH   1  21
ATOM     21  N   LIG    1        1.335   1.688   1.647  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        1.110   1.981   0.701  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.761   1.887   1.896  0.00  0.00    +0.137 C 
BRANCH  23  27
ATOM     24  C   LIG    1        5.102   0.145  -1.305  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.944  -0.531  -0.093  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.194   0.027   0.945  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.591   1.280   0.789  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        3.749   1.954  -0.431  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        4.501   1.392  -1.470  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1        6.011   0.111  -3.501  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        5.859  -0.515  -2.233  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6