REMARK  Name = BDB060829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.180  -0.208  -0.021  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1        2.135   0.627   0.506  0.00  0.00    -0.316 N 
ATOM      3  H   LIG    1        1.985   1.555   0.865  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        3.304  -0.065   0.483  0.00  0.00    +0.186 A 
ATOM      5  N   LIG    1        3.108  -1.255  -0.023  0.00  0.00    -0.123 NA
ATOM      6  N   LIG    1        1.768  -1.349  -0.337  0.00  0.00    -0.129 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -0.976  -2.214   0.483  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.264  -0.790   0.079  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -0.234   0.145  -0.161  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -0.583   1.453  -0.550  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.920   1.830  -0.694  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.929   0.905  -0.457  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.604  -0.396  -0.078  0.00  0.00    +0.004 A 
ENDBRANCH   1   9
BRANCH   4  14
ATOM     14  S   LIG    1        4.781   0.598   1.062  0.00  0.00    -0.104 S 
ATOM     15  H   LIG    1        4.348   1.793   1.481  0.00  0.00    +0.110 HD
ENDBRANCH   4  14
TORSDOF 2