REMARK  Name = BDB003209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.987  -1.396  -1.051  0.00  0.00    +0.075 S 
ATOM      2  O   LIG    1       -2.807  -1.716   0.100  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -2.473  -1.683  -2.382  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.134   1.031  -2.097  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1       -1.649   0.344  -0.995  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1       -2.001   1.062   0.158  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -1.820   2.447   0.204  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.304   3.126  -0.900  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.959   2.423  -2.054  0.00  0.00    +0.035 A 
BRANCH   4  11
ATOM     10  O   LIG    1       -1.104   0.808  -4.384  0.00  0.00    -0.126 OA
ATOM     11  N   LIG    1       -0.706   0.346  -3.307  0.00  0.00    +0.058 N 
ATOM     12  O   LIG    1        0.077  -0.605  -3.177  0.00  0.00    -0.126 OA
ENDBRANCH   4  11
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  N   LIG    1       -0.464  -2.120  -0.860  0.00  0.00    -0.214 N 
ATOM     14  H   LIG    1        0.148  -1.822  -1.636  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  C   LIG    1        0.171  -1.929   0.423  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        1.140  -0.927   0.578  0.00  0.00    +0.093 A 
ATOM     17  C   LIG    1        1.700  -0.747   1.861  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.672   0.248   2.025  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        3.060   1.024   0.940  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.458   0.782  -0.278  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        1.284  -1.549   2.939  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        0.311  -2.528   2.757  0.00  0.00    +0.003 A 
ATOM     23  N   LIG    1        1.511  -0.162  -0.474  0.00  0.00    -0.253 NA
ATOM     24  C   LIG    1       -0.249  -2.716   1.499  0.00  0.00    +0.026 A 
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 4