REMARK  Name = BDB028765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.581   0.796   0.489  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        1.831   1.972   0.608  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.590   2.096  -0.025  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        0.076   1.043  -0.784  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.831  -0.122  -0.922  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        2.073  -0.247  -0.285  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.942   0.024   2.019  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        4.706  -0.310   1.222  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1        3.821   0.752   1.159  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        4.082   1.590   1.663  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        4.556  -1.426   0.739  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   4  12
ATOM     12  S   LIG    1       -1.507   1.234  -1.577  0.00  0.00    -0.112 S 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.459  -0.083  -0.728  0.00  0.00    +0.138 C 
ATOM     14  C   LIG    1       -2.666  -1.282  -1.654  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1       -1.815  -1.719  -2.425  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1       -3.867  -1.945  -1.530  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.980  -2.759  -2.120  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.851  -1.742  -0.596  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.800  -2.513  -0.494  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.655  -0.574   0.339  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -3.807   0.507  -0.312  0.00  0.00    +0.033 C 
ENDBRANCH  12  13
ENDBRANCH   4  12
TORSDOF 3