REMARK  Name = BDB054670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.257  -0.745   0.686  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1        0.952  -0.323   0.127  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        2.157  -1.032   0.280  0.00  0.00    +0.187 A 
ATOM      4  O   LIG    1        3.240  -0.588  -0.262  0.00  0.00    -0.287 OA
ATOM      5  C   LIG    1        2.024  -2.247   1.077  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        0.804  -2.738   1.682  0.00  0.00    +0.187 A 
ATOM      7  O   LIG    1        0.686  -3.809   2.384  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -0.315  -1.921   1.440  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -2.452   0.668   0.331  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -1.446   0.030   0.488  0.00  0.00    -0.001 C 
BRANCH   9  14
ATOM     11  C   LIG    1       -6.044   2.859  -0.175  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1       -4.851   3.315  -0.751  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -3.665   2.591  -0.583  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.662   1.409   0.159  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -4.845   0.948   0.735  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -6.030   1.670   0.569  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -7.348   4.672  -0.997  0.00  0.00    +0.252 C 
ATOM     18  O   LIG    1       -7.273   3.472  -0.262  0.00  0.00    -0.473 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1  10
BRANCH   5  19
ATOM     19  C   LIG    1        3.229  -3.022   1.272  0.00  0.00    +0.058 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.656  -3.588   1.281  0.00  0.00    -0.030 C 
ATOM     21  C   LIG    1        5.921  -3.719   1.056  0.00  0.00    -0.048 C 
ATOM     22  C   LIG    1        6.790  -4.880   1.575  0.00  0.00    +0.026 C 
BRANCH  21  23
ATOM     23  C   LIG    1        6.483  -2.687   0.271  0.00  0.00    +0.026 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.596  -1.405  -0.563  0.00  0.00    +0.030 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.267  -0.099  -1.304  0.00  0.00    -0.034 C 
ATOM     26  C   LIG    1        5.842   0.983  -1.881  0.00  0.00    -0.048 C 
ATOM     27  C   LIG    1        5.827   0.979  -3.448  0.00  0.00    +0.026 C 
ATOM     28  C   LIG    1        6.352   2.339  -1.285  0.00  0.00    +0.026 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 8