REMARK  Name = BDB032624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.587  -0.461  -0.252  0.00  0.00    +0.137 A 
ATOM      2  S   LIG    1        0.913  -1.682  -1.264  0.00  0.00    -0.029 S 
ATOM      3  C   LIG    1       -0.605  -0.958  -0.985  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1       -0.576   0.127  -0.248  0.00  0.00    -0.124 NA
ATOM      5  N   LIG    1        0.701   0.408   0.198  0.00  0.00    -0.139 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.330  -0.265  -0.723  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        3.956  -0.289  -0.989  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1        3.017  -0.445   0.043  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        3.486  -0.553   1.359  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.856  -0.551   1.631  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        5.777  -0.400   0.591  0.00  0.00    +0.049 A 
BRANCH   6  13
ATOM     12  C   LIG    1        7.526  -0.073  -1.617  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        6.120  -0.108  -1.829  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
BRANCH   9  14
ATOM     14  O   LIG    1        2.609  -0.763   2.392  0.00  0.00    -0.494 OA
ATOM     15  C   LIG    1        2.420   0.438   3.142  0.00  0.00    +0.277 C 
ENDBRANCH   9  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1       -1.816  -1.441  -1.596  0.00  0.00    -0.192 N 
ATOM     17  H   LIG    1       -1.737  -2.145  -2.321  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.030  -1.818  -0.493  0.00  0.00    +0.081 S 
ATOM     19  O   LIG    1       -2.379  -2.272   0.720  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -3.931  -2.715  -1.193  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.883  -0.283  -0.251  0.00  0.00    +0.191 A 
ATOM     22  C   LIG    1       -4.120   0.207   1.040  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -4.801   1.415   1.218  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -5.218   2.151   0.115  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -4.982   1.670  -1.173  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.328   0.445  -1.372  0.00  0.00    +0.150 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -3.805  -0.512   2.159  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -2.682   0.054   2.839  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
BRANCH  26  29
ATOM     29  O   LIG    1       -4.088  -0.082  -2.613  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -4.753   0.503  -3.726  0.00  0.00    +0.277 C 
ENDBRANCH  26  29
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 8