REMARK  Name = BDB050827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.469  -1.093   0.972  0.00  0.00    +0.035 C 
ATOM      2  C   LIG    1       -0.926  -0.739   0.524  0.00  0.00    +0.167 C 
ATOM      3  C   LIG    1       -1.851  -1.633   1.373  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1       -0.863  -2.292   2.306  0.00  0.00    +0.163 C 
ATOM      5  O   LIG    1       -1.145  -3.054   3.219  0.00  0.00    -0.292 OA
ATOM      6  C   LIG    1        0.525  -1.958   1.986  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.619  -0.073  -0.121  0.00  0.00    -0.097 C 
ATOM      8  C   LIG    1        1.642  -0.560   0.378  0.00  0.00    -0.068 C 
BRANCH   7   9
ATOM      9  C   LIG    1        3.799   0.558  -0.729  0.00  0.00    +0.089 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.603   1.332   0.317  0.00  0.00    +0.013 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.737   2.168  -0.284  0.00  0.00    +0.001 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.787   1.389  -1.083  0.00  0.00    -0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1        8.244   0.725   0.903  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        7.485   0.256  -0.328  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.589  -2.671   0.515  0.00  0.00    +0.014 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.730  -3.355   1.277  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.440  -4.441   0.463  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.106  -3.975  -0.836  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -6.133  -2.848  -0.687  0.00  0.00    -0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -7.299  -3.138   0.262  0.00  0.00    -0.003 C 
ATOM     21  C   LIG    1       -8.143  -4.329  -0.163  0.00  0.00    +0.004 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
BRANCH   2  22
ATOM     22  O   LIG    1       -1.201   0.627   0.853  0.00  0.00    -0.371 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.011   1.517  -0.247  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.086   2.946   0.280  0.00  0.00    +0.028 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -0.893   4.012  -0.800  0.00  0.00    +0.003 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.446   3.969  -1.549  0.00  0.00    +0.011 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.684   4.072  -0.662  0.00  0.00    +0.120 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.766   5.384   0.066  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        1.654   5.550   1.269  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        1.994   6.426  -0.754  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        2.032   7.197  -0.151  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 20