REMARK  Name = BDB016434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.435   0.089   0.158  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1       -1.906   0.086  -1.074  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -0.660  -0.383  -1.218  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.126  -0.839  -0.149  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.467  -1.304  -0.353  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.923  -1.386  -1.675  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        1.140  -0.938  -2.737  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.540  -0.783   1.076  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.133  -0.431  -2.496  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.796  -0.322   1.261  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.832   0.404  -0.631  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -3.799   0.624   0.313  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.102   1.404   1.452  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.364   1.971   1.645  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.361   1.771   0.702  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.099   0.995  -0.425  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -3.987  -1.634  -1.613  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.635  -0.461  -1.859  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -5.827  -0.842  -2.418  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -3.967   0.165  -2.867  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1        2.222  -1.790   0.729  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        1.961  -1.339   1.602  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.676  -1.925   0.672  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.346  -0.630   1.069  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.676   0.333   0.105  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.274   1.537   0.482  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.543   1.794   1.825  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.213   0.849   2.793  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.614  -0.355   2.420  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 5