REMARK  Name = BDB059503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.656   0.580  -1.230  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.085  -0.071  -0.496  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.438  -0.999   0.391  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.188  -1.659   0.827  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.539   0.052  -0.476  0.00  0.00    +0.074 A 
ATOM      6  S   LIG    1       -2.307   0.977  -1.706  0.00  0.00    -0.088 S 
ATOM      7  C   LIG    1       -3.845   0.673  -1.066  0.00  0.00    -0.003 A 
ATOM      8  C   LIG    1       -5.094   1.218  -1.661  0.00  0.00    +0.062 C 
ATOM      9  C   LIG    1       -6.283   0.345  -1.233  0.00  0.00    +0.113 C 
ATOM     10  N   LIG    1       -6.288   0.019   0.207  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1       -5.057  -0.501   0.817  0.00  0.00    +0.144 C 
ATOM     12  C   LIG    1       -7.452  -0.195   0.966  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1       -7.357  -0.431   2.174  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -3.821  -0.104   0.069  0.00  0.00    -0.019 A 
ATOM     15  C   LIG    1       -2.475  -0.460   0.409  0.00  0.00    +0.026 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -8.762  -0.142   0.336  0.00  0.00    +0.189 A 
ATOM     17  O   LIG    1       -8.936  -0.495  -0.978  0.00  0.00    -0.458 OA
ATOM     18  C   LIG    1      -10.261  -0.402  -1.254  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1      -10.960  -0.016  -0.137  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1      -10.001   0.134   0.892  0.00  0.00    +0.054 A 
ENDBRANCH  12  16
ENDBRANCH   2   5
BRANCH   3  21
ATOM     21  C   LIG    1        1.858  -1.339   0.377  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.731  -0.233   0.992  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.275   0.020   2.333  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        1.342   0.284   2.241  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.221  -0.633   1.052  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.829  -1.018  -0.235  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        6.221  -1.474  -0.052  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        7.241  -0.370   0.139  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.979   0.941  -0.300  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        7.954   1.936  -0.142  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.189   1.628   0.427  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.458   0.327   0.846  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.632   1.293  -0.881  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        8.491  -0.668   0.700  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        4.808   0.051  -1.251  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7