REMARK  Name = BDB033569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.783   0.767  -0.639  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.455   0.167  -0.292  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.034   1.078   0.564  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.275   0.907   1.164  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -2.985  -0.275   0.857  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -2.427  -1.234  -0.031  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.173  -2.503  -0.376  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1       -2.550  -3.233  -1.556  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -1.046  -3.244  -1.382  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1       -0.519  -1.918  -1.424  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1       -0.202   2.140   0.725  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1       -1.139  -1.025  -0.586  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        0.947   1.943  -0.025  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        1.710   0.183  -1.490  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1        1.551  -0.776  -1.790  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        3.261   0.750  -1.731  0.00  0.00    +0.082 S 
ATOM     17  O   LIG    1        3.145   2.057  -2.341  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        3.963  -0.312  -2.430  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1        3.900  -0.269   0.730  0.00  0.00    +0.153 A 
ATOM     20  C   LIG    1        3.962   0.836  -0.124  0.00  0.00    +0.211 A 
ATOM     21  C   LIG    1        4.604   1.973   0.332  0.00  0.00    +0.246 A 
ATOM     22  N   LIG    1        5.139   2.063   1.580  0.00  0.00    -0.219 NA
ATOM     23  C   LIG    1        5.015   0.999   2.398  0.00  0.00    +0.118 A 
ATOM     24  C   LIG    1        4.410  -0.182   2.023  0.00  0.00    +0.067 A 
BRANCH  19  26
ATOM     25  C   LIG    1        4.234  -2.475   0.135  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        3.280  -1.429   0.343  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1        4.796   3.038  -0.511  0.00  0.00    -0.478 OA
ATOM     28  C   LIG    1        5.212   4.232   0.141  0.00  0.00    +0.279 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  C   LIG    1       -4.339  -0.460   1.520  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.323   0.490   1.015  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1       -5.696   1.540   1.776  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -6.595   2.175   1.020  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1       -6.814   1.529  -0.210  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1       -5.981   0.435  -0.182  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7