REMARK  Name = BDB046254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.249   0.040  -1.504  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.870  -0.694  -0.472  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -1.918  -0.144   0.288  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -2.379   1.141  -0.054  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -1.802   1.882  -1.097  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1       -0.731   1.321  -1.806  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.609  -0.807  -3.718  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.904  -0.480  -2.277  0.00  0.00    -0.040 C 
ATOM      9  C   LIG    1        2.141  -0.631  -1.762  0.00  0.00    +0.004 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.562  -0.318  -0.410  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1        3.818  -0.508   0.025  0.00  0.00    +0.003 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.323  -0.228   1.373  0.00  0.00    -0.044 C 
ATOM     13  C   LIG    1        5.597  -0.568   1.659  0.00  0.00    +0.094 C 
ATOM     14  C   LIG    1        3.391   0.457   2.342  0.00  0.00    +0.044 C 
BRANCH  13  15
ATOM     15  C   LIG    1        6.309  -0.430   2.937  0.00  0.00    +0.330 C 
ATOM     16  O   LIG    1        7.506  -0.226   3.037  0.00  0.00    -0.246 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.542  -0.652   4.013  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1        6.165  -0.573   4.765  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  11  12
ENDBRANCH   9  10
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.540  -0.895   1.457  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -4.005  -1.241   1.179  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -2.402  -0.117   2.769  0.00  0.00    +0.012 C 
ENDBRANCH   3  19
BRANCH   5  22
ATOM     22  C   LIG    1       -2.295   3.274  -1.453  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -2.083   4.256  -0.299  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -3.761   3.257  -1.894  0.00  0.00    +0.012 C 
ENDBRANCH   5  22
BRANCH   2  25
ATOM     25  O   LIG    1       -0.393  -1.943  -0.152  0.00  0.00    -0.489 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.037  -2.951  -0.940  0.00  0.00    +0.262 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.084  -4.119  -1.104  0.00  0.00    +0.254 C 
ATOM     28  F   LIG    1       -0.691  -5.100  -1.823  0.00  0.00    -0.246 F 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 10