REMARK  Name = BDB015450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.234  -0.079  -1.477  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.568   0.962  -1.970  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        1.232   0.495  -3.195  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.458  -0.791  -3.472  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.312  -1.117  -2.248  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.393  -0.564   1.251  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.533  -1.568   0.580  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.053  -1.148   0.545  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.851   0.074  -0.269  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -2.042   0.963  -0.276  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.890   0.808   1.004  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.758  -0.081   1.834  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.795  -0.751   0.860  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        1.400   2.121  -1.077  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        2.141   2.946  -2.014  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.533   2.749  -0.101  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.598   1.153  -0.178  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        3.886   0.984  -0.691  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        4.825   0.247   0.033  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        4.486  -0.315   1.271  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        5.509  -1.075   2.064  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.203  -0.102   1.793  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        2.260   0.634   1.074  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4