REMARK  Name = BDB028137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.198  -1.231   0.687  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.849   0.016   0.745  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.220   0.105   1.030  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.950  -1.058   1.247  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.395  -0.962   1.512  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.926   0.305   1.512  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.922   0.391   1.690  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.237   1.463   1.324  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.074  -1.961   1.718  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.324  -2.307   1.200  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.956   1.392   1.106  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.957  -2.389   0.925  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.154  -0.817  -1.008  0.00  0.00    +0.106 A 
ATOM     14  C   LIG    1        1.786  -0.703  -0.755  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        1.237  -1.319   0.378  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        2.126  -2.024   1.194  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        3.457  -2.154   0.961  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        3.944  -1.559  -0.151  0.00  0.00    +0.137 A 
BRANCH  13  20
ATOM     19  C   LIG    1        4.376   1.526  -1.848  0.00  0.00    +0.200 C 
ATOM     20  S   LIG    1        3.879  -0.074  -2.428  0.00  0.00    -0.004 S 
ATOM     21  O   LIG    1        5.075  -0.828  -2.753  0.00  0.00    -0.170 OA
ATOM     22  O   LIG    1        2.827   0.110  -3.409  0.00  0.00    -0.170 OA
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  23
ATOM     23  C   LIG    1       -2.208   2.710   0.923  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -1.902   2.904  -0.496  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -1.533   3.846  -0.626  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -2.784   2.892  -1.016  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 4