REMARK  Name = BDB064498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.104   0.082   1.679  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -4.482  -1.953   1.320  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.613  -0.731   1.240  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -4.128   0.533   0.909  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -3.303   1.670   0.934  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -3.845   3.052   0.712  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.928   1.508   1.168  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.381   0.244   1.419  0.00  0.00    -0.033 A 
ATOM      9  C   LIG    1       -2.236  -0.865   1.466  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -5.468   0.662   0.659  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.901   0.612  -0.722  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -7.006  -0.454  -0.780  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -4.825   0.287  -1.775  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -6.579   1.954  -1.058  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.859   2.862  -0.291  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.921   2.080  -2.361  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.356   2.958  -2.397  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.752  -0.882   0.771  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1        0.796  -0.403  -0.626  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        1.828   0.719  -0.898  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        3.205   0.430  -0.444  0.00  0.00    -0.294 NA
ATOM     22  C   LIG    1        3.159  -0.061   0.953  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1        2.128  -1.185   1.221  0.00  0.00    +0.100 C 
BRANCH  21  24
ATOM     24  C   LIG    1        3.856  -0.547  -1.345  0.00  0.00    +0.139 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.343  -0.729  -1.082  0.00  0.00    +0.055 A 
ATOM     26  N   LIG    1        5.763  -1.959  -0.690  0.00  0.00    -0.258 NA
ATOM     27  C   LIG    1        7.085  -2.120  -0.448  0.00  0.00    +0.123 A 
ATOM     28  C   LIG    1        8.027  -1.109  -0.571  0.00  0.00    +0.073 A 
ATOM     29  C   LIG    1        7.574   0.148  -0.981  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        6.219   0.343  -1.236  0.00  0.00    +0.025 A 
BRANCH  28  31
ATOM     31  C   LIG    1        9.470  -1.395  -0.298  0.00  0.00    +0.419 C 
ATOM     32  F   LIG    1       10.200  -0.277  -0.032  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        9.655  -2.221   0.768  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       10.086  -2.001  -1.350  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 9