REMARK  Name = BDB055156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.036  -0.358  -0.204  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -2.833  -0.681  -1.550  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.565  -0.597  -2.132  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.471  -0.181  -1.371  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -0.671   0.137  -0.024  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.945   0.050   0.554  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -4.328  -0.494   0.202  0.00  0.00    -0.475 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -4.238  -1.184   2.577  0.00  0.00    +0.067 C 
ATOM      9  C   LIG    1       -4.805  -0.218   1.534  0.00  0.00    +0.200 C 
ATOM     10  C   LIG    1       -4.691   1.262   1.911  0.00  0.00    +0.067 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -6.322  -0.519   1.458  0.00  0.00    +0.348 C 
ATOM     12  O   LIG    1       -7.101  -0.413   2.396  0.00  0.00    -0.247 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -6.734  -0.923   0.229  0.00  0.00    -0.478 OA
ATOM     14  H   LIG    1       -5.959  -0.941  -0.375  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  C   LIG    1        0.906  -0.103  -1.976  0.00  0.00    +0.076 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.719  -1.373  -1.717  0.00  0.00    +0.236 C 
BRANCH  16  17
ATOM     17  O   LIG    1        3.007  -1.293  -2.330  0.00  0.00    -0.471 OA
BRANCH  17  18
ATOM     18  C   LIG    1        3.946  -0.656  -1.626  0.00  0.00    +0.257 A 
ATOM     19  S   LIG    1        5.539  -0.530  -2.233  0.00  0.00    -0.029 S 
ATOM     20  C   LIG    1        6.000   0.355  -0.830  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1        4.888   0.490   0.004  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1        5.035   1.186   1.221  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        6.279   1.724   1.569  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        7.372   1.577   0.722  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.253   0.891  -0.490  0.00  0.00    +0.017 A 
ATOM     26  N   LIG    1        3.721  -0.090  -0.464  0.00  0.00    -0.206 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 8