REMARK  Name = BDB052139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.409   3.118  -1.248  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.781   2.123  -0.898  0.00  0.00    +0.253 A 
ATOM      3  C   LIG    1       -1.466   0.922  -0.321  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -2.964   1.075  -0.291  0.00  0.00    +0.110 C 
ATOM      5  S   LIG    1       -3.861  -0.483  -0.045  0.00  0.00    -0.156 S 
ATOM      6  C   LIG    1       -2.821  -1.142   1.273  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -1.388  -1.339   0.780  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -0.746  -0.141   0.108  0.00  0.00    -0.028 A 
ATOM      9  C   LIG    1        0.731  -0.148  -0.075  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1        1.351   0.985  -0.626  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.735   1.045  -0.814  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.526  -0.043  -0.461  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        2.927  -1.177   0.069  0.00  0.00    +0.118 A 
ATOM     14  C   LIG    1        1.546  -1.242   0.262  0.00  0.00    +0.055 A 
ATOM     15  N   LIG    1        0.576   2.079  -1.007  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        1.009   2.901  -1.404  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  17
ATOM     17  O   LIG    1        3.739  -2.225   0.391  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        3.198  -2.956   0.731  0.00  0.00    +0.292 HD
ENDBRANCH  13  17
TORSDOF 1