REMARK  Name = BDB060850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.457  -4.059   1.725  0.00  0.00    -0.075 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.548  -2.719   1.536  0.00  0.00    +0.209 A 
ATOM      3  N   LIG    1        1.536  -1.866   0.464  0.00  0.00    -0.201 NA
ATOM      4  C   LIG    1        2.506  -1.009   0.730  0.00  0.00    +0.157 A 
ATOM      5  N   LIG    1        3.076  -1.374   1.921  0.00  0.00    -0.258 N 
ATOM      6  H   LIG    1        3.858  -0.954   2.408  0.00  0.00    +0.191 HD
ATOM      7  N   LIG    1        2.481  -2.452   2.450  0.00  0.00    -0.145 NA
BRANCH   4   8
ATOM      8  C   LIG    1        2.927   0.125  -0.091  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        3.661   1.198   0.436  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        4.039   2.269  -0.380  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.686   2.282  -1.728  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        2.953   1.226  -2.263  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.576   0.156  -1.449  0.00  0.00    +0.011 A 
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.649  -3.823   0.314  0.00  0.00    +0.173 C 
BRANCH  14  16
ATOM     15  O   LIG    1       -2.670  -2.832   1.178  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -1.614  -2.679   0.569  0.00  0.00    +0.224 C 
ATOM     17  N   LIG    1       -1.204  -1.464   0.050  0.00  0.00    -0.312 N 
ATOM     18  H   LIG    1       -0.197  -1.383  -0.092  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.940  -0.236   0.314  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -3.244  -0.168  -0.488  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -4.071   1.069  -0.126  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -3.231   2.241   0.380  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -1.855   2.269  -0.269  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -1.061   0.989   0.004  0.00  0.00    +0.022 C 
ENDBRANCH  17  19
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5