REMARK  Name = BDB001235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.506  -1.348   0.985  0.00  0.00    -0.118 S 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -4.921   2.241  -0.858  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -4.660   1.084   0.064  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -5.673   0.541   0.863  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -5.406  -0.522   1.726  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.133  -1.094   1.755  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.118  -0.590   0.940  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.388   0.489   0.090  0.00  0.00    +0.021 A 
BRANCH   4   9
ATOM      9  O   LIG    1       -6.917   1.106   0.852  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -7.904   0.387   0.093  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -8.691   1.470  -0.670  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -8.880  -0.265   1.087  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.427  -0.639  -0.971  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -7.054  -0.388  -2.108  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.411  -1.919  -0.540  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.022  -2.413  -1.292  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.537   0.056   1.639  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.886  -0.327   1.857  0.00  0.00    +0.109 A 
ATOM     19  S   LIG    1        1.402  -1.108   3.293  0.00  0.00    +0.030 S 
ATOM     20  N   LIG    1        2.995  -1.157   2.817  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1        3.071  -0.593   1.604  0.00  0.00    +0.169 A 
ATOM     22  N   LIG    1        1.890  -0.097   1.035  0.00  0.00    -0.222 NA
BRANCH  21  23
ATOM     23  C   LIG    1        4.339  -0.474   0.876  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.377   0.101  -0.398  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.584   0.217  -1.097  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        6.800  -0.237  -0.552  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.750  -0.814   0.727  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.541  -0.931   1.429  0.00  0.00    +0.012 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.107  -0.093  -1.350  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1        7.990  -0.865  -2.682  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        8.372   1.398  -1.648  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        9.352  -0.639  -0.614  0.00  0.00    +0.015 C 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9