REMARK  Name = BDB059618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.829  -2.023  -1.148  0.00  0.00    +0.073 S 
ATOM      2  O   LIG    1       -0.246  -3.347  -1.224  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.577  -1.482  -2.265  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   9
ATOM      4  C   LIG    1        2.463   1.041  -0.218  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        2.197   0.034   0.738  0.00  0.00    -0.004 A 
ATOM      6  C   LIG    1        2.983   0.016   2.030  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1        1.234  -0.980   0.464  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        0.996  -2.072   1.478  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        0.489  -0.887  -0.733  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        0.743   0.136  -1.656  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        1.731   1.086  -1.404  0.00  0.00    +0.048 A 
BRANCH   4  12
ATOM     12  O   LIG    1        3.445   1.940   0.109  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1        5.095   3.591  -0.356  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        3.910   2.822  -0.913  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   4  12
ENDBRANCH   1   9
BRANCH   1  15
ATOM     15  N   LIG    1       -1.834  -1.995   0.225  0.00  0.00    -0.215 N 
ATOM     16  H   LIG    1       -2.240  -2.936   0.315  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -2.813  -0.947   0.276  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -4.124  -1.119  -0.204  0.00  0.00    +0.081 A 
ATOM     19  C   LIG    1       -5.005  -0.025  -0.200  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1       -4.591   1.220   0.280  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.294   1.383   0.757  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.406   0.306   0.750  0.00  0.00    +0.025 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -4.662  -2.405  -0.719  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1       -5.724  -2.548  -1.298  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.882  -3.472  -0.449  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1       -4.367  -4.217  -0.871  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 7