REMARK  Name = BDB023341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.840   1.412  -2.920  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -1.270   0.692  -1.946  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.143   0.713  -1.752  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.727   0.666  -0.505  0.00  0.00    -0.452 OA
ATOM      5  C   LIG    1        2.075   0.697  -0.650  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1        2.410   0.778  -1.989  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        3.768   0.822  -2.338  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.726   0.780  -1.310  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.364   0.695   0.049  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        2.999   0.653   0.392  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        1.175   0.792  -2.686  0.00  0.00    +0.061 A 
BRANCH   9  12
ATOM     12  C   LIG    1        5.397   0.652   1.099  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        5.378   1.565   2.169  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        6.358   1.526   3.165  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        7.364   0.571   3.098  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        8.303   0.533   4.051  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        7.408  -0.345   2.056  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        6.428  -0.304   1.060  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
ENDBRANCH   2   3
BRANCH   2  19
ATOM     19  O   LIG    1       -2.076  -0.027  -1.081  0.00  0.00    -0.339 OA
BRANCH  19  20
ATOM     20  S   LIG    1       -1.593  -1.328  -0.224  0.00  0.00    +0.152 S 
ATOM     21  O   LIG    1       -1.107  -0.926   1.082  0.00  0.00    -0.131 OA
ATOM     22  O   LIG    1       -0.800  -2.183  -1.093  0.00  0.00    -0.131 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.110  -2.232   0.095  0.00  0.00    +0.136 A 
ATOM     24  C   LIG    1       -4.309  -1.580   0.440  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -5.450  -2.385   0.641  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -5.400  -3.775   0.507  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.205  -4.398   0.168  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.060  -3.632  -0.038  0.00  0.00    +0.031 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -4.450  -0.128   0.612  0.00  0.00    -0.016 A 
ATOM     30  C   LIG    1       -3.887   0.531   1.714  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -4.022   1.913   1.867  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.732   2.654   0.926  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.311   2.015  -0.168  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -5.174   0.634  -0.322  0.00  0.00    +0.008 A 
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 6