REMARK  Name = BDB028777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.335  -2.657  -0.193  0.00  0.00    +0.000 S 
ATOM      2  O   LIG    1       -1.777  -3.066  -1.741  0.00  0.00    -0.156 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.578  -1.481   0.437  0.00  0.00    +0.157 C 
ATOM      4  C   LIG    1       -2.245  -1.005   1.833  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1       -1.981  -1.778   2.752  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -2.226   0.349   2.050  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -2.028   0.639   2.998  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -2.094   1.339   1.113  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -1.846   2.493   1.452  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.175   0.923  -0.332  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.968  -0.359  -0.522  0.00  0.00    +0.034 C 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1        2.410   0.021  -0.493  0.00  0.00    -0.048 A 
ATOM     13  C   LIG    1        1.979  -0.464   0.748  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        0.851  -1.284   0.836  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        0.123  -1.609  -0.313  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        0.568  -1.149  -1.556  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        1.697  -0.332  -1.645  0.00  0.00    +0.005 A 
BRANCH  12  19
ATOM     18  C   LIG    1        3.231   2.389  -0.452  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1        3.614   0.923  -0.585  0.00  0.00    +0.032 C 
ENDBRANCH  12  19
ENDBRANCH   1  15
TORSDOF 3