REMARK  Name = BDB059438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.169   0.013  -1.145  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        1.358   0.245  -1.014  0.00  0.00    +0.026 C 
ATOM      3  C   LIG    1        1.743   0.912  -2.309  0.00  0.00    -0.019 C 
ATOM      4  C   LIG    1        0.750   1.058  -3.187  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -0.445   0.495  -2.551  0.00  0.00    +0.159 C 
ATOM      6  O   LIG    1       -1.521   0.437  -3.127  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -0.953   0.806  -0.090  0.00  0.00    +0.014 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -2.451   0.467  -0.079  0.00  0.00    +0.032 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.186   1.060   1.133  0.00  0.00    +0.115 C 
BRANCH   9  10
ATOM     10  O   LIG    1       -3.035   2.480   1.147  0.00  0.00    -0.392 OA
ATOM     11  H   LIG    1       -2.119   2.681   1.396  0.00  0.00    +0.210 HD
ENDBRANCH   9  10
BRANCH   9  12
ATOM     12  C   LIG    1       -4.694   0.772   1.116  0.00  0.00    +0.031 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.036  -0.714   1.246  0.00  0.00    +0.002 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.532  -0.975   1.452  0.00  0.00    -0.000 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.148  -1.094  -1.023  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -7.451  -0.477   0.333  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  C   LIG    1        2.102  -1.084  -0.780  0.00  0.00    +0.035 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.573  -0.895  -0.512  0.00  0.00    -0.030 C 
ATOM     19  C   LIG    1        4.151  -1.140   0.675  0.00  0.00    -0.031 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.608  -0.992   1.034  0.00  0.00    +0.027 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.547  -0.529  -0.087  0.00  0.00    +0.015 C 
BRANCH  21  22
ATOM     22  C   LIG    1        8.002  -0.460   0.367  0.00  0.00    +0.121 C 
BRANCH  22  23
ATOM     23  C   LIG    1        8.232   0.647   1.356  0.00  0.00    +0.305 C 
ATOM     24  O   LIG    1        8.354   0.520   2.563  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        8.280   1.862   0.780  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        8.430   2.476   1.529  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 15