REMARK  Name = BDB045806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.288  -0.402   2.358  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.474  -0.754   1.023  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.510  -0.463   0.071  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.695   0.184   0.442  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -1.879   0.539   1.782  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.893   0.247   2.728  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.157  -0.619   3.389  0.00  0.00    -0.484 OA
BRANCH   7   8
ATOM      8  C   LIG    1        2.394  -1.295   3.122  0.00  0.00    +0.308 C 
BRANCH   8  12
ATOM      9  C   LIG    1        4.763   0.519   1.219  0.00  0.00    +0.259 A 
ATOM     10  O   LIG    1        5.034   1.045   2.455  0.00  0.00    -0.333 OA
ATOM     11  N   LIG    1        4.175   0.422   3.361  0.00  0.00    -0.057 NA
ATOM     12  C   LIG    1        3.462  -0.406   2.585  0.00  0.00    +0.209 A 
ATOM     13  N   LIG    1        3.815  -0.393   1.256  0.00  0.00    -0.188 NA
BRANCH   9  16
ATOM     14  C   LIG    1        3.919   0.062  -1.626  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        5.164   0.824  -1.251  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1        5.546   1.038   0.094  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        6.724   1.772   0.346  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.505   2.276  -0.696  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.126   2.056  -2.014  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.965   1.335  -2.290  0.00  0.00    +0.004 A 
ENDBRANCH   9  16
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1       -2.758   0.487  -0.585  0.00  0.00    +0.078 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.976  -0.447  -0.524  0.00  0.00    +0.231 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.555  -1.829  -1.026  0.00  0.00    +0.334 C 
ATOM     24  O   LIG    1       -3.453  -2.199  -2.185  0.00  0.00    -0.248 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.288  -2.692  -0.021  0.00  0.00    -0.479 OA
ATOM     26  H   LIG    1       -3.023  -3.515  -0.481  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
BRANCH  22  27
ATOM     27  O   LIG    1       -4.982   0.138  -1.361  0.00  0.00    -0.362 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -6.329  -0.097  -0.941  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1       -7.212   0.839  -1.761  0.00  0.00    +0.037 C 
ATOM     30  C   LIG    1       -6.754  -1.544  -1.158  0.00  0.00    +0.037 C 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 10