REMARK  Name = BDB037125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.258   0.582   1.094  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.840   1.199  -0.017  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.361   1.284  -0.905  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.768   0.554   2.200  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.673  -1.184  -0.608  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.528  -1.371   0.493  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        3.131  -0.911   1.760  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.897  -0.289   1.935  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.042  -0.104   0.844  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.432  -0.559  -0.427  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.362  -1.399  -2.971  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.137  -1.657  -1.807  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.884  -2.025   0.344  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.937  -1.030   0.197  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.635  -0.617   1.278  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.508   0.258   0.774  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.386   0.397  -0.621  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.366  -0.456  -0.968  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.212   2.140  -0.005  0.00  0.00    +0.080 S 
ATOM     20  O   LIG    1       -1.975   3.276   0.857  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.476   2.398  -1.408  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.542   1.113   0.602  0.00  0.00    +0.175 A 
ATOM     23  C   LIG    1       -4.340   0.342  -0.273  0.00  0.00    +0.095 A 
ATOM     24  C   LIG    1       -5.599  -0.129   0.157  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -6.031   0.081   1.462  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -5.222   0.781   2.346  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.008   1.331   1.913  0.00  0.00    +0.149 A 
BRANCH  23  28
ATOM     28  N   LIG    1       -3.943  -0.062  -1.576  0.00  0.00    -0.238 N 
ATOM     29  N   LIG    1       -4.865  -0.240  -2.558  0.00  0.00    -0.175 NA
ATOM     30  C   LIG    1       -4.158  -0.633  -3.618  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1       -2.806  -0.843  -3.312  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -2.709  -0.534  -1.976  0.00  0.00    +0.114 A 
ENDBRANCH  23  28
BRANCH  27  33
ATOM     33  O   LIG    1       -3.244   2.008   2.825  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.892   3.175   3.333  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8