REMARK  Name = BDB028796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.822  -0.690   1.030  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -1.101  -1.861   0.770  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.255  -1.946   1.096  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.911  -0.856   1.673  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.194   0.312   1.943  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.163   0.397   1.618  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.283  -0.592   0.666  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.475  -0.004  -0.734  0.00  0.00    +0.004 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -5.819   0.934  -0.364  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1       -4.936   0.011  -1.189  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  11
ATOM     11  S   LIG    1        2.642  -0.984   2.077  0.00  0.00    -0.112 S 
BRANCH  11  12
ATOM     12  C   LIG    1        3.339   0.223   0.880  0.00  0.00    +0.138 C 
ATOM     13  C   LIG    1        4.735   0.646   1.339  0.00  0.00    +0.233 C 
ATOM     14  O   LIG    1        5.023   0.927   2.502  0.00  0.00    -0.274 OA
ATOM     15  N   LIG    1        5.682   0.806   0.353  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        6.588   1.125   0.671  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        5.468   0.887  -0.999  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.340   1.297  -1.758  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.082   0.536  -1.478  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        3.395  -0.414  -0.508  0.00  0.00    +0.033 C 
ENDBRANCH  11  12
ENDBRANCH   4  11
TORSDOF 5