REMARK  Name = BDB033612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.610  -0.173  -0.367  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.714   0.241  -0.068  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.736   1.570  -0.447  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        1.845   2.401  -0.343  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        2.998   1.811   0.182  0.00  0.00    +0.138 A 
ATOM      6  C   LIG    1        3.011   0.474   0.608  0.00  0.00    +0.093 A 
ATOM      7  O   LIG    1       -0.486   1.922  -0.925  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.876  -0.344   0.471  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -1.337   0.830  -0.866  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.087  -1.452  -0.127  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.469  -2.143   0.294  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.572  -2.026  -0.623  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.648  -3.380  -0.107  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.687  -1.765  -2.041  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.868  -0.505  -0.267  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -3.732  -1.066   0.314  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -3.478  -0.874   1.683  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -4.356  -0.115   2.459  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.493   0.441   1.877  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.755   0.237   0.522  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.974   0.406  -2.380  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.208  -0.747  -1.568  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  23
ATOM     23  O   LIG    1        1.805  -1.659   0.850  0.00  0.00    -0.494 OA
ATOM     24  C   LIG    1        3.050  -2.344   0.970  0.00  0.00    +0.277 C 
ENDBRANCH   8  23
BRANCH   5  25
ATOM     25  O   LIG    1        4.087   2.640   0.335  0.00  0.00    -0.432 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.309   2.269  -0.061  0.00  0.00    +0.262 A 
ATOM     27  S   LIG    1        6.661   3.276   0.263  0.00  0.00    -0.037 S 
ATOM     28  C   LIG    1        7.677   2.153  -0.540  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1        6.923   1.096  -1.000  0.00  0.00    +0.122 A 
ATOM     30  N   LIG    1        5.572   1.162  -0.724  0.00  0.00    -0.214 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7