REMARK  Name = BDB031661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.775  -1.015  -1.317  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.651  -0.111  -0.883  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.946  -0.276   0.341  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.913   0.618   0.656  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -0.387   0.224   1.868  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1        0.397   0.671   2.324  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -1.052  -0.870   2.346  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.544   1.671  -0.190  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -1.225   1.809  -1.397  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.022  -1.206   1.427  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -2.259   0.941  -1.736  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.532   2.539   0.129  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1        0.628   2.886   1.079  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.997   2.384  -0.690  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        2.932   3.237   0.015  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.777   2.523  -2.113  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.459   0.699  -0.358  0.00  0.00    +0.108 A 
ATOM     18  C   LIG    1        2.059  -0.315  -1.234  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        2.413  -1.636  -0.961  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.176  -1.935   0.170  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.594  -0.917   1.028  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.241   0.406   0.765  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  23
ATOM     23  C   LIG    1       -2.917  -2.311   1.572  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -3.641  -3.211   1.693  0.00  0.00    -0.191 NA
ENDBRANCH  10  23
TORSDOF 4