REMARK  Name = BDB049639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.630   0.028  -0.632  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.663  -0.926  -0.729  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.794  -0.615  -0.007  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.934   0.371   0.159  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.545  -1.937  -1.417  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.914  -1.436   0.227  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        5.062  -0.821   0.750  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        6.220  -1.570   1.031  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        6.206  -2.939   0.786  0.00  0.00    +0.135 A 
ATOM     10  F   LIG    1        7.295  -3.678   1.041  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        5.072  -3.566   0.280  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.926  -2.815   0.003  0.00  0.00    +0.026 A 
BRANCH   8  13
ATOM     13  C   LIG    1        7.462  -0.937   1.577  0.00  0.00    +0.420 C 
ATOM     14  F   LIG    1        7.306   0.389   1.860  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        7.884  -1.503   2.738  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.512  -1.002   0.716  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1       -3.224   0.548  -0.409  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1       -2.866   0.825  -1.796  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -1.351   0.981  -1.906  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.599  -0.265  -1.410  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -1.519  -1.279  -0.708  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -2.596  -0.638   0.168  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.632   0.802  -0.069  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -4.920   0.651   1.431  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -5.702   0.133  -0.970  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -6.257  -2.188  -0.023  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.671  -1.384  -1.173  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1        0.504   0.894   0.551  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.427   2.096   0.554  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        1.957   2.556   1.770  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        2.814   3.657   1.802  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.144   4.319   0.621  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        2.611   3.885  -0.592  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        1.754   2.784  -0.625  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8