REMARK  Name = BDB065126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.220  -1.508   0.010  0.00  0.00    -0.022 C 
ATOM      2  C   LIG    1        0.950  -0.156   0.363  0.00  0.00    +0.004 C 
ATOM      3  C   LIG    1        0.330   0.692   1.493  0.00  0.00    +0.005 C 
ATOM      4  C   LIG    1        1.101   1.994   1.755  0.00  0.00    +0.001 C 
ATOM      5  C   LIG    1        2.067   2.368   0.633  0.00  0.00    +0.015 C 
ATOM      6  C   LIG    1        3.027   1.230   0.200  0.00  0.00    +0.106 C 
ATOM      7  C   LIG    1        2.517  -0.231   0.528  0.00  0.00    +0.010 C 
ATOM      8  C   LIG    1        2.967  -0.633   1.962  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1        3.132  -1.238  -0.502  0.00  0.00    +0.122 C 
ATOM     10  C   LIG    1        2.222  -1.486  -1.701  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1        0.821  -2.046  -1.349  0.00  0.00    -0.005 C 
ATOM     12  C   LIG    1        0.778  -3.572  -1.508  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1        0.357  -2.541   1.159  0.00  0.00    +0.012 C 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1        4.463   1.478   0.653  0.00  0.00    +0.311 C 
ATOM     15  O   LIG    1        5.439   1.189  -0.029  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.520   2.009   1.903  0.00  0.00    -0.468 OA
ATOM     17  C   LIG    1        5.846   2.219   2.390  0.00  0.00    +0.280 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
BRANCH   9  18
ATOM     18  O   LIG    1        3.427  -2.498   0.097  0.00  0.00    -0.391 OA
ATOM     19  H   LIG    1        3.946  -3.014  -0.544  0.00  0.00    +0.210 HD
ENDBRANCH   9  18
BRANCH   1  20
ATOM     20  C   LIG    1       -1.343  -1.302  -0.133  0.00  0.00    +0.056 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.856  -0.327  -1.224  0.00  0.00    +0.207 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.355  -0.932  -2.505  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -2.671  -0.043  -3.650  0.00  0.00    +0.267 C 
ATOM     24  O   LIG    1       -3.089  -0.927  -4.688  0.00  0.00    -0.457 OA
ATOM     25  C   LIG    1       -3.045  -2.204  -4.229  0.00  0.00    +0.332 C 
ATOM     26  O   LIG    1       -3.340  -3.202  -4.858  0.00  0.00    -0.246 OA
ATOM     27  C   LIG    1       -2.576  -2.202  -2.845  0.00  0.00    +0.097 C 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  O   LIG    1       -2.997   0.364  -0.662  0.00  0.00    -0.457 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -2.902   1.712  -0.526  0.00  0.00    +0.310 C 
ATOM     30  O   LIG    1       -1.929   2.380  -0.855  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  C   LIG    1       -4.138   2.313   0.126  0.00  0.00    +0.094 C 
ATOM     32  C   LIG    1       -5.409   1.500  -0.112  0.00  0.00    +0.019 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -3.785   1.392   2.509  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -3.870   2.615   1.607  0.00  0.00    +0.011 C 
ENDBRANCH  31  34
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 10