REMARK  Name = BDB061791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.966  -1.099  -2.765  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.667  -0.343  -3.696  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.105   0.026  -4.854  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.961   0.082  -3.412  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.557  -0.257  -2.191  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.866  -1.034  -1.247  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.563  -1.460  -1.552  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -3.586  -1.458  -1.123  0.00  0.00    +0.074 C 
ATOM      9  N   LIG    1       -3.602  -0.137  -0.423  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -2.620   0.796  -1.012  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.273   0.155  -1.385  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -1.433  -0.993  -2.283  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -0.410  -1.535  -3.053  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.576  -2.385  -3.921  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.803  -1.477  -2.465  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     16  C   LIG    1       -5.927  -1.084  -2.151  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -5.027  -1.975  -1.304  0.00  0.00    +0.017 C 
ENDBRANCH   8  17
BRANCH   9  18
ATOM     18  C   LIG    1       -3.404  -0.331   1.021  0.00  0.00    +0.088 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.764   0.907   1.792  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -2.711   1.869   2.285  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.427   0.983   3.262  0.00  0.00    +0.005 C 
ENDBRANCH  18  19
ENDBRANCH   9  18
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1        3.478  -1.388   0.094  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.340  -0.314   1.077  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1        4.401   0.606   1.349  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        4.204   1.626   2.289  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        5.212   2.551   2.596  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        6.448   2.463   1.967  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.669   1.456   1.034  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        2.910   1.725   2.981  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1        2.685   2.588   3.821  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1        1.976   0.790   2.639  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1        1.093   0.836   3.124  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1        5.657   0.537   0.727  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1        2.123  -0.229   1.743  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1        1.184  -1.007   1.571  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 6