REMARK  Name = BDB023394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.898  -1.516  -1.204  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.108  -0.667  -1.713  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.670  -1.679  -0.550  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.494  -2.528   0.311  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.336  -0.729  -0.985  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.516  -0.688  -0.286  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.302   0.262  -0.856  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        1.649   0.849  -1.928  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.311   1.857  -2.646  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.605   2.229  -2.245  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.247   1.621  -1.151  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        3.585   0.605  -0.436  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        0.386   0.203  -2.010  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  C   LIG    1        5.658   2.052  -0.780  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        5.792   2.413   0.702  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        6.674   0.977  -1.175  0.00  0.00    +0.012 C 
ENDBRANCH  11  14
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  S   LIG    1       -3.276  -2.341  -0.789  0.00  0.00    +0.078 S 
ATOM     18  O   LIG    1       -3.036  -3.752  -1.006  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -4.364  -1.676  -1.477  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -3.524  -0.733   1.439  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -3.478  -2.042   0.944  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -3.594  -3.141   1.807  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -3.741  -2.932   3.176  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.762  -1.634   3.681  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.644  -0.539   2.819  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -3.361   0.311   0.567  0.00  0.00    -0.490 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -5.654   1.084   0.222  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -4.261   1.415   0.730  0.00  0.00    +0.226 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 6