REMARK  Name = BDB032573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.121   0.479   2.978  0.00  0.00    -0.192 N 
ATOM      2  H   LIG    1        1.051   1.491   3.041  0.00  0.00    +0.176 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -1.826  -0.700   0.890  0.00  0.00    +0.137 A 
ATOM      4  S   LIG    1       -1.351   0.691   1.791  0.00  0.00    -0.029 S 
ATOM      5  C   LIG    1        0.083  -0.147   2.187  0.00  0.00    +0.201 A 
ATOM      6  N   LIG    1        0.143  -1.374   1.730  0.00  0.00    -0.124 NA
ATOM      7  N   LIG    1       -0.967  -1.699   0.977  0.00  0.00    -0.139 NA
BRANCH   3   9
ATOM      8  C   LIG    1       -3.558   0.208  -0.719  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1       -3.120  -0.767   0.202  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -3.941  -1.880   0.465  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.187  -2.012  -0.147  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.624  -1.037  -1.036  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.814   0.065  -1.324  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -3.096   2.212  -1.943  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -2.695   1.241  -0.984  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1        2.697  -0.003   2.628  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1        2.850  -1.352   3.128  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        3.549   1.060   3.129  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.822   0.049   0.861  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1        2.414   1.210   0.187  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1        2.442   1.264  -1.211  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        2.935   0.184  -1.938  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.393  -0.951  -1.270  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        3.324  -1.028   0.126  0.00  0.00    +0.150 A 
BRANCH  20  25
ATOM     25  O   LIG    1        1.917   2.284   0.883  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1        2.807   3.403   0.800  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
BRANCH  24  27
ATOM     27  O   LIG    1        3.866  -2.125   0.736  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1        3.040  -3.279   0.568  0.00  0.00    +0.277 C 
ENDBRANCH  24  27
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7