REMARK  Name = BDB012635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.417   0.227   1.440  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        0.702   0.537   2.581  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -0.544   0.688   2.196  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.674   0.478   0.855  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1        0.565   0.193   0.351  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.974  -0.201   0.287  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        3.599   0.056   0.248  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        2.856  -0.031   1.421  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.423  -0.360   2.607  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        4.745  -0.616   2.623  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.555  -0.556   1.502  0.00  0.00    +0.030 A 
BRANCH   6  13
ATOM     12  C   LIG    1        7.032   0.325  -1.122  0.00  0.00    +0.166 A 
ATOM     13  C   LIG    1        5.738  -0.111  -0.942  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1        5.205  -0.429  -2.168  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        6.133  -0.226  -3.093  0.00  0.00    -0.067 NA
ATOM     16  N   LIG    1        7.228   0.224  -2.468  0.00  0.00    -0.253 N 
ATOM     17  H   LIG    1        8.048   0.453  -3.021  0.00  0.00    +0.191 HD
BRANCH  12  19
ATOM     18  F   LIG    1        8.646  -0.151   0.489  0.00  0.00    -0.164 F 
ATOM     19  C   LIG    1        8.083   0.835  -0.252  0.00  0.00    +0.436 C 
ATOM     20  F   LIG    1        9.087   1.400  -0.972  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        7.635   1.779   0.607  0.00  0.00    -0.164 F 
ENDBRANCH  12  19
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1       -1.909   0.552   0.102  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.607  -0.805   0.023  0.00  0.00    +0.057 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.907  -0.715  -0.750  0.00  0.00    -0.038 A 
ATOM     25  C   LIG    1       -5.127  -0.285  -0.153  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1       -6.287  -0.199  -0.964  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -7.506   0.223  -0.409  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -7.602   0.563   0.939  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.479   0.483   1.749  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.219  -0.535  -2.324  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -5.022  -0.953  -2.898  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -5.259   0.065   1.212  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -3.875  -1.040  -2.118  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6