REMARK  Name = BDB047306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.750   0.413   1.060  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.212  -0.437   0.468  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        0.161  -1.428  -0.465  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1        1.494  -1.477  -0.899  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        2.442  -0.589  -0.386  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        2.081   0.316   0.620  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.841  -0.688  -0.870  0.00  0.00    +0.193 C 
ATOM      8  O   LIG    1        4.313  -1.795  -1.113  0.00  0.00    -0.287 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.676   0.526  -1.075  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        4.119   1.748  -1.474  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        4.940   2.862  -1.660  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.317   2.755  -1.466  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.877   1.532  -1.091  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.059   0.418  -0.899  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  C   LIG    1        0.398   1.307   2.235  0.00  0.00    +0.038 C 
BRANCH  15  17
ATOM     16  C   LIG    1        0.752   3.603   1.171  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        1.105   2.668   2.320  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   2  18
ATOM     18  O   LIG    1       -1.513  -0.348   0.899  0.00  0.00    -0.472 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.373   0.281  -0.068  0.00  0.00    +0.311 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.729  -0.416  -0.056  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.410  -0.663  -1.258  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -5.659  -1.292  -1.254  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.245  -1.675  -0.049  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.587  -1.427   1.153  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.336  -0.805   1.151  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -2.522   1.785   0.179  0.00  0.00    +0.351 C 
ATOM     27  O   LIG    1       -2.160   2.672  -0.582  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -3.085   2.116   1.359  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1       -3.113   3.096   1.349  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH  18  19
ENDBRANCH   2  18
BRANCH   3  30
ATOM     30  C   LIG    1       -0.790  -2.498  -0.957  0.00  0.00    +0.038 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.093  -3.536   0.124  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -2.093  -4.568  -0.359  0.00  0.00    +0.004 C 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 11