REMARK  Name = BDB037139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.137  -1.278   0.077  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.588  -1.565   1.371  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.098  -1.219   2.188  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.852  -1.313  -0.913  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.034   0.218  -1.334  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.971  -0.070  -0.326  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        3.557  -0.769   0.822  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.233  -1.183   0.967  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.299  -0.892  -0.031  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.707  -0.197  -1.181  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.606   1.192  -3.473  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.515   0.911  -2.414  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.408   0.387  -0.427  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.599   1.675   0.224  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.928   1.731   1.534  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.045   3.040   1.773  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.809   3.821   0.626  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.528   2.909  -0.364  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.167  -1.961   1.743  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.449  -3.210   1.069  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.258  -1.875   3.188  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.120  -0.628   1.084  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1       -4.215  -0.852   0.247  0.00  0.00    +0.151 A 
ATOM     24  C   LIG    1       -4.957   0.227  -0.247  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -4.592   1.535   0.069  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.499   1.766   0.901  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -2.780   0.689   1.430  0.00  0.00    +0.150 A 
BRANCH  27  28
ATOM     28  O   LIG    1       -1.697   0.946   2.233  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -2.107   1.485   3.494  0.00  0.00    +0.277 C 
ENDBRANCH  27  28
BRANCH  23  30
ATOM     30  O   LIG    1       -4.651  -2.112  -0.059  0.00  0.00    -0.487 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -4.295  -2.490  -1.408  0.00  0.00    +0.174 C 
ATOM     32  C   LIG    1       -4.771  -3.855  -1.823  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -5.434  -2.631  -2.381  0.00  0.00    +0.048 C 
ENDBRANCH  30  31
ENDBRANCH  23  30
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 9