REMARK  Name = BDB021906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.001  -0.485   0.858  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        1.400   0.569   1.810  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1        0.251   1.565   2.139  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1       -1.122   1.090   1.862  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1       -1.187  -0.352   2.151  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.156  -1.230   1.395  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.105  -1.400   0.535  0.00  0.00    +0.119 C 
BRANCH   7  10
ATOM      8  C   LIG    1        5.537  -0.124  -0.603  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        4.520  -0.722   0.163  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        3.194  -0.750  -0.294  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        2.895  -0.181  -1.541  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.897   0.406  -2.313  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.211   0.432  -1.848  0.00  0.00    +0.012 A 
BRANCH   8  15
ATOM     14  F   LIG    1        7.700   0.913  -0.603  0.00  0.00    -0.166 F 
ATOM     15  C   LIG    1        6.961  -0.118  -0.107  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1        7.631  -1.255  -0.442  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        7.052  -0.018   1.250  0.00  0.00    -0.166 F 
ENDBRANCH   8  15
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -1.507   1.435   0.479  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.897   1.005   0.108  0.00  0.00    +0.122 A 
ATOM     20  N   LIG    1       -3.120  -0.033  -0.766  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1       -2.404  -0.585  -1.213  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1       -4.472  -0.194  -0.914  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -5.022   0.794  -0.107  0.00  0.00    +0.089 A 
ATOM     24  C   LIG    1       -6.417   0.914  -0.026  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -7.212   0.029  -0.765  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -6.630  -0.955  -1.569  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.239  -1.090  -1.663  0.00  0.00    +0.028 A 
ATOM     28  N   LIG    1       -4.040   1.529   0.508  0.00  0.00    -0.231 NA
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5