REMARK  Name = BDB054674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.949   2.063  -0.651  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        1.996   0.698  -0.138  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        3.059   0.024   0.149  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        0.727   0.118   0.039  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.465   0.788  -0.251  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -0.438   2.098  -0.741  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        0.752   2.810  -0.970  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        0.712   4.014  -1.423  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.721   0.130  -0.045  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.775  -0.422   0.128  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.028  -1.077   0.333  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -4.060  -2.386   0.823  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -5.285  -3.026   1.023  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -6.465  -2.350   0.732  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       -7.641  -2.965   0.924  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -6.446  -1.048   0.243  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -5.221  -0.408   0.043  0.00  0.00    +0.011 A 
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        3.224   2.715  -0.855  0.00  0.00    +0.058 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.995   3.030  -0.883  0.00  0.00    -0.048 C 
ATOM     20  C   LIG    1        4.707   3.100  -0.951  0.00  0.00    -0.030 C 
ATOM     21  C   LIG    1        6.958   4.166  -1.278  0.00  0.00    +0.026 C 
BRANCH  19  22
ATOM     22  C   LIG    1        6.488   1.795  -0.404  0.00  0.00    +0.026 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.508   0.360   0.135  0.00  0.00    +0.030 C 
BRANCH  23  26
ATOM     24  C   LIG    1        5.809  -3.397   0.128  0.00  0.00    +0.026 C 
ATOM     25  C   LIG    1        5.571  -2.150   1.046  0.00  0.00    -0.048 C 
ATOM     26  C   LIG    1        6.080  -1.026   0.641  0.00  0.00    -0.034 C 
ATOM     27  C   LIG    1        5.730  -2.481   2.568  0.00  0.00    +0.026 C 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7