REMARK  Name = BDB062098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.294  -1.444  -0.133  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.770  -0.144   0.029  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        0.576   0.089   0.017  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        1.371  -0.991  -0.125  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.858  -2.269  -0.256  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -0.471  -2.525  -0.261  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.487  -2.446  -0.311  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1       -4.958  -1.458  -1.152  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.598  -1.131  -1.100  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.729  -1.777  -0.204  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.265  -2.784   0.616  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -4.623  -3.115   0.566  0.00  0.00    +0.013 A 
BRANCH   7  14
ATOM     13  F   LIG    1       -7.745  -1.774  -0.750  0.00  0.00    -0.166 F 
ATOM     14  C   LIG    1       -6.948  -2.817  -0.384  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -7.188  -3.807  -1.287  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -7.445  -3.263   0.803  0.00  0.00    -0.166 F 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1       -1.576   1.071   0.249  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -1.385   2.206  -0.558  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -2.138   3.368  -0.366  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -3.106   3.430   0.645  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1       -3.286   2.313   1.472  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -2.530   1.152   1.278  0.00  0.00    +0.010 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.903   4.691   0.870  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -5.135   4.457   1.403  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -4.124   5.394  -0.277  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.283   5.552   1.723  0.00  0.00    -0.166 F 
ENDBRANCH  20  23
ENDBRANCH   2  17
BRANCH   4  27
ATOM     27  O   LIG    1        2.742  -0.850  -0.139  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1        3.174   0.503   0.025  0.00  0.00    +0.234 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.708   0.562   0.003  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1        5.331  -0.191   1.198  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1        6.652  -0.880   0.847  0.00  0.00    +0.081 C 
ATOM     32  N   LIG    1        7.469  -0.054  -0.038  0.00  0.00    -0.316 NA
ATOM     33  H   LIG    1        7.631   0.847   0.412  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1        6.816   0.169  -1.333  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1        5.289   0.032  -1.313  0.00  0.00    +0.022 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7