REMARK  Name = BDB056494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.672  -2.745   0.091  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.778  -2.350  -1.065  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -1.788  -2.515  -2.013  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -1.886  -2.067  -2.913  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.466  -2.968  -1.637  0.00  0.00    +0.139 C 
BRANCH   5   6
ATOM      6  C   LIG    1        0.395  -1.786  -1.258  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1        0.368  -1.293   0.056  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        1.087  -0.148   0.401  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        1.854   0.500  -0.570  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        1.883   0.028  -1.886  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.156  -1.115  -2.226  0.00  0.00    +0.007 A 
BRANCH   9  12
ATOM     12  S   LIG    1        2.705   2.007  -0.153  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1        1.982   2.617   0.943  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        2.931   2.730  -1.387  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  N   LIG    1        4.206   1.479   0.427  0.00  0.00    -0.172 NA
ATOM     16  C   LIG    1        4.215   0.748   1.725  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1        5.656   0.646   2.240  0.00  0.00    +0.177 C 
ATOM     18  O   LIG    1        6.502  -0.008   1.280  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1        6.528   0.736   0.052  0.00  0.00    +0.177 C 
ATOM     20  C   LIG    1        5.125   0.842  -0.558  0.00  0.00    +0.137 C 
ENDBRANCH  12  15
ENDBRANCH   9  12
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -3.989  -1.610  -1.583  0.00  0.00    +0.153 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.777  -0.899  -0.501  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1       -4.169   0.245   0.228  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -4.929   0.829   1.239  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -4.426   1.905   1.980  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -3.155   2.405   1.701  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -2.393   1.834   0.682  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.281   0.312   1.510  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -6.984   0.790   2.393  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.706  -0.719   0.708  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -7.632  -1.094   0.888  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -2.897   0.759  -0.057  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -5.983  -1.327  -0.269  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6