REMARK  Name = BDB021746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.260   0.807  -0.714  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.486   0.147  -0.888  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.752  -0.822   0.055  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.370  -0.633   0.968  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.263   0.438  -1.794  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.783  -1.785   0.009  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        4.084  -2.465   1.198  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        5.088  -3.450   1.240  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        5.773  -3.764   0.060  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        5.461  -3.097  -1.118  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1        6.119  -3.414  -2.241  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        4.475  -2.116  -1.155  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1        5.397  -4.187   2.518  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1        4.779  -5.397   2.578  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        6.726  -4.433   2.681  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        5.003  -3.510   3.632  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1       -2.714  -0.493   0.520  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1       -2.014   0.502   1.345  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -0.875   1.222   0.615  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.113   0.211   0.021  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -0.636  -0.804  -0.855  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -1.773  -1.454  -0.068  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -3.624   0.104  -0.471  0.00  0.00    +0.087 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.116  -0.014  -0.075  0.00  0.00    -0.000 C 
ATOM     25  C   LIG    1       -5.438   0.779   1.197  0.00  0.00    +0.009 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.561  -2.272  -1.205  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.607  -1.467   0.086  0.00  0.00    +0.001 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1        0.993   1.923  -1.636  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.167   3.277  -0.980  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        2.375   3.622  -0.355  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        2.539   4.878   0.233  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.502   5.807   0.194  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.304   5.485  -0.439  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.139   4.230  -1.029  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8