REMARK  Name = BDB031129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.942   0.449   1.962  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        1.364   0.801   0.726  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        2.494   1.523   0.623  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        3.217   1.933   1.734  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        2.778   1.564   3.001  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.623   0.802   3.120  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.758  -0.518  -0.198  0.00  0.00    -0.037 A 
ATOM      8  C   LIG    1       -3.481  -1.358   0.825  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.258  -1.256   1.547  0.00  0.00    +0.138 A 
ATOM     10  N   LIG    1       -1.357  -0.265   1.159  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1       -0.258  -0.374   2.001  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -0.586  -1.417   2.852  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -1.637   0.630   0.123  0.00  0.00    +0.093 A 
ATOM     14  N   LIG    1       -1.811  -1.952   2.569  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1       -2.796   0.530  -0.549  0.00  0.00    +0.022 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -6.132   0.332  -0.479  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -5.020  -0.553  -0.987  0.00  0.00    -0.007 C 
ATOM     18  C   LIG    1       -5.411  -1.877  -1.619  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -4.909  -0.764  -2.487  0.00  0.00    +0.012 C 
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  N   LIG    1        2.881   1.871  -0.670  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1        2.034   1.678  -1.213  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.943   1.052  -1.300  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        3.582  -0.416  -1.531  0.00  0.00    +0.201 C 
ATOM     24  F   LIG    1        2.940  -0.550  -2.721  0.00  0.00    -0.242 F 
ATOM     25  C   LIG    1        4.932  -1.138  -1.559  0.00  0.00    +0.119 C 
ATOM     26  N   LIG    1        5.972  -0.129  -1.289  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1        6.726  -0.521  -0.726  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        5.283   0.955  -0.574  0.00  0.00    +0.106 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 4