REMARK  Name = BDB034462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.750   1.143   0.962  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.539   1.585  -0.195  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1        1.448   0.949  -0.983  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1        2.910   1.761   0.132  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        3.894   0.763  -0.101  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        5.214   1.050   0.316  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1        6.211   0.108   0.102  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        5.960  -1.127  -0.516  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        4.655  -1.422  -0.912  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        5.560   2.195   0.923  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1        4.596   3.110   1.147  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1        3.635  -0.490  -0.710  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.277   2.938   0.785  0.00  0.00    +0.043 A 
BRANCH   8  14
ATOM     14  C   LIG    1        7.075  -2.124  -0.702  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        7.271  -2.891   0.404  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        6.846  -2.995  -1.725  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        8.275  -1.541  -0.974  0.00  0.00    -0.166 F 
ENDBRANCH   8  14
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.728   1.010   0.587  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.003  -0.243  -0.251  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.402  -0.378  -0.658  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1       -2.727   0.507  -1.053  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.279  -0.792   0.435  0.00  0.00    +0.119 C 
BRANCH  22  25
ATOM     23  F   LIG    1       -4.225  -3.406   0.025  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -5.071  -2.406  -0.264  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1       -4.676  -1.075  -0.072  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -5.595  -0.044  -0.382  0.00  0.00    +0.062 A 
ATOM     27  C   LIG    1       -6.874  -0.388  -0.865  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -7.242  -1.723  -1.044  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -6.336  -2.733  -0.742  0.00  0.00    +0.039 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -5.240   1.414  -0.198  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -4.143   1.788  -0.915  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -6.232   2.270  -0.574  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -4.961   1.723   1.099  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9