REMARK  Name = BDB027680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.839  -1.457   0.271  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.405  -2.716   0.541  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.786  -2.808   0.364  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.353  -4.048   0.618  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -2.691  -5.163   1.025  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.366  -5.036   1.204  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -3.544  -1.774  -0.025  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.920  -0.605  -0.233  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.685  -3.853   0.980  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.597  -0.416  -0.099  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.741   0.549  -0.646  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.174   1.813  -0.868  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.985   2.868  -1.256  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -5.316   2.762  -1.440  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -5.858   1.547  -1.224  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -5.127   0.435  -0.835  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.549  -1.296   0.402  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1        0.997  -2.004  -0.177  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1        1.133   0.540  -1.171  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        1.245   0.012   0.269  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        0.697   1.031   1.283  0.00  0.00    +0.031 C 
BRANCH  20  22
ATOM     22  C   LIG    1        2.749  -0.300   0.607  0.00  0.00    +0.060 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.742   0.841   0.561  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1        4.420   1.151  -0.628  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        5.339   2.201  -0.666  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.586   2.938   0.485  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        6.469   3.945   0.448  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        4.934   2.643   1.675  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        4.014   1.594   1.715  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5