REMARK  Name = BDB002451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.010   0.993   0.220  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -1.734   0.208   1.211  0.00  0.00    -0.235 N 
ATOM      3  C   LIG    1       -2.829  -0.428   0.671  0.00  0.00    +0.289 C 
ATOM      4  O   LIG    1       -3.637  -1.209   1.129  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1       -2.904   0.036  -0.774  0.00  0.00    +0.230 C 
ATOM      6  O   LIG    1       -3.693  -0.399  -1.592  0.00  0.00    -0.286 OA
ATOM      7  C   LIG    1       -1.912   1.117  -1.018  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.820  -0.725  -0.936  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        1.683  -1.552  -0.863  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1        0.448  -1.007  -0.485  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        0.327   0.358  -0.166  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1        1.470   1.166  -0.237  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.703   0.631  -0.618  0.00  0.00    +0.050 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.167  -0.545  -1.346  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        3.987  -1.334  -1.325  0.00  0.00    -0.491 OA
ENDBRANCH   8  15
BRANCH   9  16
ATOM     16  O   LIG    1        1.875  -2.871  -1.195  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1        0.820  -3.783  -0.920  0.00  0.00    +0.277 C 
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   2  18
ATOM     18  C   LIG    1       -1.341   0.131   2.534  0.00  0.00    +0.168 A 
ATOM     19  S   LIG    1       -2.183  -0.821   3.679  0.00  0.00    -0.060 S 
ATOM     20  C   LIG    1       -1.078  -0.340   4.894  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1       -0.145   0.514   4.352  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1       -0.300   0.783   3.006  0.00  0.00    -0.233 NA
ENDBRANCH   2  18
BRANCH   7  23
ATOM     23  C   LIG    1       -2.598   2.457  -1.116  0.00  0.00    +0.143 C 
ATOM     24  O   LIG    1       -2.690   3.214  -0.151  0.00  0.00    -0.297 OA
ATOM     25  C   LIG    1       -3.212   2.816  -2.445  0.00  0.00    +0.087 C 
ENDBRANCH   7  23
TORSDOF 5