REMARK  Name = BDB007926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.154   0.291  -1.829  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.960   0.826  -2.333  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -0.785   0.069  -2.327  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.788  -1.234  -1.812  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -1.978  -1.767  -1.301  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.152  -1.010  -1.310  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.435  -2.082  -1.774  0.00  0.00    +0.339 C 
ATOM      8  O   LIG    1        0.472  -3.185  -1.251  0.00  0.00    -0.245 OA
BRANCH   7   9
ATOM      9  O   LIG    1        1.463  -1.457  -2.397  0.00  0.00    -0.456 OA
BRANCH   9  10
ATOM     10  C   LIG    1        2.713  -2.156  -2.388  0.00  0.00    +0.268 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.599  -1.568  -1.321  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1        4.399  -0.452  -1.590  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        5.200   0.099  -0.587  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        5.205  -0.448   0.699  0.00  0.00    +0.156 A 
ATOM     15  C   LIG    1        4.400  -1.550   0.978  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        3.599  -2.104  -0.026  0.00  0.00    +0.010 A 
BRANCH  14  17
ATOM     17  O   LIG    1        6.032   0.183   1.594  0.00  0.00    -0.346 OA
BRANCH  17  18
ATOM     18  S   LIG    1        6.178  -0.298   3.144  0.00  0.00    +0.118 S 
ATOM     19  O   LIG    1        6.829  -1.592   3.194  0.00  0.00    -0.137 OA
ATOM     20  O   LIG    1        4.945  -0.032   3.857  0.00  0.00    -0.137 OA
ATOM     21  C   LIG    1        7.365   0.929   3.628  0.00  0.00    +0.242 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -4.421   1.120  -1.818  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.680   1.763  -0.446  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.625   2.954  -0.636  0.00  0.00    +0.334 C 
ATOM     25  O   LIG    1       -6.766   3.075  -0.219  0.00  0.00    -0.248 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -5.055   3.970  -1.320  0.00  0.00    -0.479 OA
ATOM     27  H   LIG    1       -5.758   4.654  -1.346  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  O   LIG    1       -5.226   0.757   0.415  0.00  0.00    -0.365 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -5.754  -0.026   2.604  0.00  0.00    +0.034 C 
ATOM     30  C   LIG    1       -5.135   1.098   1.797  0.00  0.00    +0.157 C 
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 12