REMARK  Name = BDB032582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.220  -1.818   1.983  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        1.622  -1.840   2.917  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.128  -0.996   1.784  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.308  -0.235   2.789  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.387   0.469   2.286  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -1.602   0.118   0.984  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -0.657  -0.818   0.628  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -2.718   0.767   0.304  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.475   1.768   0.933  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -4.541   2.385   0.272  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.866   2.011  -1.029  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.127   1.020  -1.669  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.061   0.402  -1.007  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1        3.186  -3.269   1.448  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1        2.101  -2.571   0.793  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        1.196  -3.255  -0.106  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.824  -1.201  -0.082  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        2.462  -0.946  -1.409  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        3.037   0.133  -2.082  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        3.971   0.940  -1.430  0.00  0.00    +0.018 A 
ATOM     21 BR   LIG    1        4.747   2.400  -2.346  0.00  0.00    -0.050 Br
ATOM     22  C   LIG    1        4.342   0.676  -0.111  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        3.770  -0.401   0.568  0.00  0.00    +0.030 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4