REMARK  Name = BDB028569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.118   0.181  -2.383  0.00  0.00    -0.226 OA
ATOM      2  C   LIG    1       -0.337  -0.234  -1.251  0.00  0.00    +0.403 C 
ATOM      3  N   LIG    1       -1.524  -0.051  -0.568  0.00  0.00    -0.267 N 
ATOM      4  C   LIG    1       -2.632   0.645  -1.208  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -3.952  -0.066  -0.926  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -4.225  -0.238   0.581  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -2.974   0.039   1.435  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -1.721  -0.538   0.792  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.388   0.661   1.009  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -6.673   0.241   0.705  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -7.811   1.066   1.125  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1       -8.997   0.193   1.546  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1       -9.451  -0.706   0.523  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -8.457  -1.027  -0.457  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1       -7.033  -1.051   0.109  0.00  0.00    +0.136 C 
ATOM     16  O   LIG    1       -5.180   1.739   1.568  0.00  0.00    -0.275 OA
ENDBRANCH   6   9
BRANCH   2  17
ATOM     17  O   LIG    1        0.576  -0.924  -0.521  0.00  0.00    -0.448 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.840  -1.229  -1.159  0.00  0.00    +0.266 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.748   0.011  -1.239  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.481   0.762  -2.436  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        1.511   0.755  -2.587  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        4.246  -0.367  -1.277  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.741  -1.120  -0.107  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        6.135  -1.564  -0.313  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        7.189  -0.494  -0.111  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.920   0.652   0.659  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.924   1.609   0.858  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        9.194   1.419   0.316  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.470   0.277  -0.432  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.537   0.885   1.216  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        8.474  -0.677  -0.641  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.661  -0.375   1.161  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7