REMARK  Name = BDB027623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.811   0.478  -1.275  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -3.589   0.994  -2.327  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -4.971   0.945  -2.135  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -5.749   1.442  -3.171  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -5.289   1.972  -4.335  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -3.954   2.022  -4.479  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -5.538   0.453  -1.026  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -4.714   0.006  -0.066  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -3.075   1.554  -3.521  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -3.374   0.003  -0.158  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -5.322  -0.527   1.168  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -4.536  -1.018   2.222  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -5.152  -1.510   3.363  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -6.488  -1.552   3.534  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -7.239  -1.079   2.520  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -6.713  -0.569   1.343  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.412   0.469  -1.410  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -1.194  -0.041  -2.264  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -0.643  -1.441   0.000  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1       -0.502   0.059  -0.309  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -0.711   0.909   0.956  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        0.952   0.328  -0.825  0.00  0.00    +0.185 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.936  -0.085   0.123  0.00  0.00    -0.367 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.259   0.212  -0.311  0.00  0.00    +0.280 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.326  -0.260   0.674  0.00  0.00    +0.334 C 
ATOM     26  O   LIG    1        4.117  -0.850   1.723  0.00  0.00    -0.248 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.554   0.084   0.185  0.00  0.00    -0.457 OA
BRANCH  27  28
ATOM     28  C   LIG    1        6.762  -0.242   0.922  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        6.794   0.468   2.280  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.937  -1.758   1.063  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.906   0.305   0.056  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 9