REMARK  Name = BDB057622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.527   0.182   0.227  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -2.691   0.559  -0.826  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.537  -0.181  -1.084  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.202  -1.287  -0.286  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -2.053  -1.652   0.768  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.210  -0.916   1.031  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -4.971   1.139   0.580  0.00  0.00    +0.056 S 
ATOM      8  O   LIG    1       -4.782   2.484   0.090  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -5.408   0.863   1.929  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1       -6.113   0.433  -0.427  0.00  0.00    -0.204 NA
ATOM     11  H   LIG    1       -6.861   0.022   0.130  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -6.435   1.112  -1.117  0.00  0.00    +0.144 HD
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  13
ATOM     13  C   LIG    1        0.046  -2.089  -0.580  0.00  0.00    +0.176 C 
BRANCH  13  14
ATOM     14  N   LIG    1        1.236  -1.248  -0.776  0.00  0.00    -0.286 NA
ATOM     15  C   LIG    1        1.768  -0.816   0.312  0.00  0.00    +0.115 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.953   0.061   0.301  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        3.815   0.210  -0.788  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1        4.894   1.105  -0.750  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        5.115   1.857   0.403  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.271   1.709   1.505  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.195   0.816   1.457  0.00  0.00    +0.011 A 
BRANCH  17  22
ATOM     22  N   LIG    1        3.680  -0.607  -1.973  0.00  0.00    +0.057 N 
ATOM     23  O   LIG    1        4.026  -1.794  -1.875  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        3.337  -0.031  -3.015  0.00  0.00    -0.126 OA
ENDBRANCH  17  22
ENDBRANCH  15  16
ENDBRANCH  13  14
ENDBRANCH   4  13
TORSDOF 6