REMARK  Name = BDB034041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.722   1.421  -2.101  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.397   1.107  -1.475  0.00  0.00    +0.081 A 
ATOM      3  S   LIG    1        0.065   1.840   0.008  0.00  0.00    -0.072 S 
ATOM      4  C   LIG    1        1.558   0.984  -0.032  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.598   0.198  -1.183  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        2.737  -0.594  -1.420  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        3.799  -0.579  -0.508  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        3.754   0.214   0.645  0.00  0.00    -0.044 A 
ATOM      9  C   LIG    1        2.619   1.009   0.890  0.00  0.00    +0.021 A 
ATOM     10  N   LIG    1        0.479   0.278  -1.995  0.00  0.00    -0.244 NA
BRANCH   8  11
ATOM     11  C   LIG    1        4.906   0.236   1.638  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1        5.134  -1.142   2.266  0.00  0.00    +0.012 C 
ATOM     13  C   LIG    1        6.191   0.764   0.997  0.00  0.00    +0.012 C 
ENDBRANCH   8  11
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -2.807   0.367  -1.811  0.00  0.00    +0.093 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.412   0.154   0.089  0.00  0.00    +0.213 C 
ATOM     16  N   LIG    1       -3.122   0.287  -0.377  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -2.361   0.073   0.258  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -5.396   0.159  -0.640  0.00  0.00    -0.276 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -5.901  -0.130   2.104  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -4.476  -0.003   1.596  0.00  0.00    +0.092 C 
ENDBRANCH  15  20
ENDBRANCH  14  16
BRANCH  14  21
ATOM     21  C   LIG    1       -2.462  -1.027  -2.396  0.00  0.00    +0.100 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.552  -2.001  -2.248  0.00  0.00    -0.328 NA
ATOM     23  H   LIG    1       -3.738  -2.131  -1.254  0.00  0.00    +0.118 HD
ATOM     24  H   LIG    1       -4.417  -1.582  -2.599  0.00  0.00    +0.118 HD
ENDBRANCH  21  22
ENDBRANCH  14  21
ENDBRANCH   1  14
TORSDOF 7