REMARK  Name = BDB065137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.146   0.811   1.133  0.00  0.00    +0.192 C 
ATOM      2  C   LIG    1        2.120  -0.455   0.220  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        0.661  -1.024   0.056  0.00  0.00    +0.014 C 
ATOM      4  C   LIG    1        0.662  -2.235  -0.909  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1        1.548  -3.366  -0.357  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1        2.928  -2.926   0.122  0.00  0.00    +0.075 C 
ATOM      7  C   LIG    1       -0.468   0.063  -0.137  0.00  0.00    -0.025 C 
ATOM      8  C   LIG    1       -0.289   0.820  -1.469  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -0.441   1.015   1.129  0.00  0.00    -0.004 C 
ATOM     10  C   LIG    1       -0.812   2.481   0.851  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1        2.842  -1.631   0.914  0.00  0.00    +0.145 C 
ATOM     12  O   LIG    1        3.268  -1.580   2.067  0.00  0.00    -0.297 OA
ATOM     13  C   LIG    1        0.865   0.935   1.964  0.00  0.00    +0.049 C 
ENDROOT
BRANCH   1  14
ATOM     14  O   LIG    1        2.287   2.010   0.332  0.00  0.00    -0.460 OA
BRANCH  14  16
ATOM     15  C   LIG    1        3.025   4.194  -0.062  0.00  0.00    +0.136 C 
ATOM     16  C   LIG    1        2.871   3.084   0.933  0.00  0.00    +0.304 C 
ATOM     17  O   LIG    1        3.207   3.160   2.105  0.00  0.00    -0.251 OA
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  18
ATOM     18  C   LIG    1       -1.861  -0.677  -0.206  0.00  0.00    +0.011 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.132   0.188  -0.155  0.00  0.00    +0.035 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.375  -0.636  -0.277  0.00  0.00    -0.026 C 
ATOM     21  C   LIG    1       -4.773  -1.294  -1.540  0.00  0.00    +0.264 C 
ATOM     22  O   LIG    1       -6.011  -1.933  -1.230  0.00  0.00    -0.457 OA
ATOM     23  C   LIG    1       -6.327  -1.691   0.071  0.00  0.00    +0.332 C 
ATOM     24  O   LIG    1       -7.316  -2.094   0.653  0.00  0.00    -0.246 OA
ATOM     25  C   LIG    1       -5.285  -0.860   0.670  0.00  0.00    +0.094 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   7  18
BRANCH   2  26
ATOM     26  C   LIG    1        2.886  -0.188  -1.105  0.00  0.00    +0.174 C 
BRANCH  26  27
ATOM     27  O   LIG    1        4.238   0.179  -0.838  0.00  0.00    -0.394 OA
ATOM     28  H   LIG    1        4.652   0.420  -1.685  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 7