REMARK  Name = BDB060841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.318  -0.158   0.047  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.817  -0.982  -0.050  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -2.062  -0.418   0.136  0.00  0.00    +0.167 A 
ATOM      4  O   LIG    1       -3.251  -1.075   0.075  0.00  0.00    -0.453 OA
ATOM      5  C   LIG    1       -4.172   0.001   0.344  0.00  0.00    +0.466 C 
ATOM      6  O   LIG    1       -3.521   1.271   0.559  0.00  0.00    -0.453 OA
ATOM      7  C   LIG    1       -2.217   0.918   0.412  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -1.136   1.763   0.517  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.142   1.218   0.332  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.810  -1.006  -0.329  0.00  0.00    +0.186 A 
ATOM     11  N   LIG    1        2.841  -0.084  -0.087  0.00  0.00    -0.316 N 
ATOM     12  H   LIG    1        2.979   0.894   0.100  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        1.642  -0.753  -0.150  0.00  0.00    +0.162 A 
ATOM     14  N   LIG    1        1.905  -2.022  -0.419  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        3.270  -2.179  -0.531  0.00  0.00    -0.123 NA
BRANCH  10  16
ATOM     16  S   LIG    1        5.482  -0.604  -0.348  0.00  0.00    -0.104 S 
ATOM     17  H   LIG    1        5.409   0.706  -0.082  0.00  0.00    +0.110 HD
ENDBRANCH  10  16
ENDBRANCH   1  13
TORSDOF 2