REMARK  Name = BDB048258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.021  -4.621   0.181  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -2.249  -3.207  -0.025  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1       -1.221  -2.300   0.021  0.00  0.00    +0.168 C 
ATOM      4  N   LIG    1       -0.001  -2.663   0.244  0.00  0.00    -0.226 NA
ATOM      5  S   LIG    1       -1.831  -0.683  -0.262  0.00  0.00    -0.049 S 
ATOM      6  C   LIG    1       -3.449  -1.233  -0.442  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -4.551  -0.507  -0.676  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -3.510  -2.711  -0.271  0.00  0.00    +0.259 C 
ATOM      9  O   LIG    1       -4.545  -3.358  -0.343  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.020  -1.705   0.281  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        1.740  -1.396  -0.870  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.772  -0.452  -0.828  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        3.124   0.202   0.369  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        2.401  -0.141   1.524  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.368  -1.087   1.480  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.262   1.237   0.378  0.00  0.00    -0.013 C 
ATOM     17  C   LIG    1        3.924   2.389  -0.594  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        4.519   1.871   1.763  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        5.578   0.565  -0.069  0.00  0.00    +0.015 C 
ENDBRANCH  13  16
ENDBRANCH   4  10
BRANCH   7  20
ATOM     20  C   LIG    1       -4.618   0.949  -0.846  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -3.949   1.599  -1.883  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -4.079   2.974  -1.990  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1       -4.827   3.726  -1.154  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1       -5.473   3.072  -0.166  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -5.405   1.702   0.025  0.00  0.00    +0.027 A 
ENDBRANCH   7  20
TORSDOF 3