REMARK  Name = BDB008888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.539   0.290  -1.112  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1       -0.278  -0.533  -2.210  0.00  0.00    +0.128 A 
ATOM      3  F   LIG    1       -1.152  -1.486  -2.563  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.889  -0.393  -2.956  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.828   0.578  -2.606  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.605   1.407  -1.498  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.414   1.261  -0.763  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.823   0.152  -0.325  0.00  0.00    +0.122 C 
BRANCH   8   9
ATOM      9  N   LIG    1       -3.024   0.648  -1.022  0.00  0.00    -0.301 NA
ATOM     10  C   LIG    1       -2.887   2.064  -1.394  0.00  0.00    +0.105 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -4.260   0.481  -0.231  0.00  0.00    +0.089 C 
BRANCH  11  15
ATOM     12  C   LIG    1       -6.017  -3.724  -0.006  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -4.652  -3.283  -0.290  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1       -4.621  -1.982  -0.990  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -4.747  -0.937   0.118  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1       -4.122  -1.597   1.349  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1       -3.887  -3.052   0.944  0.00  0.00    +0.084 C 
ENDBRANCH  11  15
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   6  18
ATOM     18  C   LIG    1        2.610   2.470  -1.119  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.109   2.341   0.317  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        4.123   1.296   0.661  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        4.734   0.421  -0.401  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        6.027  -0.263   0.057  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.862  -0.864   1.449  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        5.486   0.207   2.472  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1        4.480   1.202   1.954  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        3.885   2.121   2.960  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1        4.179   2.058   4.150  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        3.005   3.050   2.475  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        2.592   3.688   3.146  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        2.598   3.169   1.183  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 6