REMARK  Name = BDB049069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.352  -0.584  -0.286  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -1.925   0.199  -1.497  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -3.355   0.600  -1.032  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.499   0.079   0.334  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.147   0.008   0.886  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        2.971  -0.433   0.359  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        2.275  -1.645   0.269  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        0.888  -1.683   0.066  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.145  -0.505  -0.069  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1        0.829   0.711   0.012  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.215   0.741   0.216  0.00  0.00    +0.023 A 
BRANCH   6  16
ATOM     12  N   LIG    1        7.088  -0.440   1.466  0.00  0.00    -0.299 N 
ATOM     13  C   LIG    1        6.245   0.485   2.081  0.00  0.00    +0.233 C 
ATOM     14  O   LIG    1        6.668   1.295   2.912  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1        4.734   0.428   1.768  0.00  0.00    +0.201 C 
ATOM     16  N   LIG    1        4.360  -0.349   0.555  0.00  0.00    -0.320 N 
ATOM     17  C   LIG    1        5.162  -1.560   0.364  0.00  0.00    +0.124 C 
ATOM     18  C   LIG    1        6.635  -1.158   0.279  0.00  0.00    +0.126 C 
BRANCH  12  20
ATOM     19  C   LIG    1        9.197   0.681   0.792  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        8.526  -0.342   1.696  0.00  0.00    +0.104 C 
ENDBRANCH  12  20
ENDBRANCH   6  16
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  N   LIG    1       -1.883  -0.407  -2.846  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -2.483  -1.739  -2.917  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -0.526  -0.441  -3.392  0.00  0.00    +0.104 C 
ENDBRANCH   2  21
BRANCH   4  24
ATOM     24  C   LIG    1       -4.424   0.833   1.181  0.00  0.00    +0.122 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.873   0.657   0.777  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -6.480  -0.590   1.002  0.00  0.00    +0.128 A 
ATOM     27  F   LIG    1       -5.788  -1.576   1.594  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -7.801  -0.840   0.646  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -8.555   0.165   0.054  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -7.982   1.418  -0.170  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.647   1.683   0.189  0.00  0.00    -0.043 A 
ATOM     32  C   LIG    1       -6.097   3.061  -0.062  0.00  0.00    +0.044 C 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 6