REMARK  Name = BDB032873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.264  -0.808  -0.335  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.925  -1.269  -0.369  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.655  -2.637  -0.561  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.699  -3.553  -0.673  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.015  -3.110  -0.601  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.295  -1.749  -0.438  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.571   2.730  -0.080  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.731   1.231  -0.121  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -2.517   0.581  -0.213  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.683   1.170  -0.265  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.843   0.716  -0.089  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.215  -0.308  -0.205  0.00  0.00    +0.251 C 
ATOM     13  N   LIG    1        1.314  -0.815   0.449  0.00  0.00    -0.261 N 
ATOM     14  H   LIG    1        1.278  -1.729   0.877  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        0.063   0.842  -0.607  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.495  -0.169   0.709  0.00  0.00    +0.165 A 
ATOM     17  S   LIG    1        2.859   1.390   0.132  0.00  0.00    -0.057 S 
ATOM     18  C   LIG    1        4.393   1.311   0.891  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        5.349   2.442   0.804  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1        4.520   0.093   1.526  0.00  0.00    +0.124 A 
ATOM     21  N   LIG    1        3.434  -0.754   1.416  0.00  0.00    -0.233 NA
ENDBRANCH  13  16
ENDBRANCH   2  12
TORSDOF 3