REMARK  Name = BDB063718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.912   0.520  -0.057  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1       -2.040   1.563   0.629  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1       -0.254   1.248   0.444  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1       -0.382  -0.446   1.081  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1       -1.272  -1.189   0.215  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -0.356  -2.058  -0.269  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1       -0.385  -2.871  -1.162  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1        0.728  -1.467   0.678  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1       -2.457  -0.737  -0.291  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1        1.951  -0.942   0.014  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        2.016  -0.948  -0.996  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        2.950  -0.339   0.755  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        2.857  -0.279   1.981  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1        4.064   0.191  -0.009  0.00  0.00    +0.189 A 
ATOM     15  O   LIG    1        5.085   0.790   0.683  0.00  0.00    -0.458 OA
ATOM     16  C   LIG    1        6.007   1.207  -0.219  0.00  0.00    +0.196 A 
ATOM     17  C   LIG    1        5.608   0.890  -1.494  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        4.357   0.235  -1.362  0.00  0.00    +0.054 A 
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  C   LIG    1       -4.858   2.107  -0.147  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -4.248   0.960  -0.476  0.00  0.00    -0.001 C 
ENDBRANCH   1  20
BRANCH   9  21
ATOM     21  C   LIG    1       -3.230  -1.730  -1.083  0.00  0.00    +0.352 C 
ATOM     22  O   LIG    1       -3.720  -2.758  -0.651  0.00  0.00    -0.244 OA
BRANCH  21  23
ATOM     23  OXT LIG    1       -3.299  -1.392  -2.383  0.00  0.00    -0.476 OA
ATOM     24  HXT LIG    1       -3.727  -2.168  -2.800  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 5