REMARK  Name = BDB058080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.234   0.174   0.709  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -0.214   0.874  -0.502  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.354   1.547  -0.974  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -1.254   2.303  -2.268  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -2.545   1.472  -0.235  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.557   0.859   1.029  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -3.770   0.859   1.914  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.402   0.195   1.477  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        1.004  -1.669   1.808  0.00  0.00    +0.052 C 
ATOM     10  C   LIG    1        0.995  -0.491   1.164  0.00  0.00    +0.012 C 
BRANCH   9  11
ATOM     11  C   LIG    1        2.231  -2.345   2.303  0.00  0.00    +0.186 C 
ATOM     12  O   LIG    1        2.165  -3.051   3.305  0.00  0.00    -0.287 OA
BRANCH  11  16
ATOM     13  C   LIG    1        6.026  -1.909   0.348  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.857  -2.004  -0.416  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.611  -2.141   0.204  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        3.526  -2.179   1.600  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.696  -2.124   2.366  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.939  -1.988   1.742  0.00  0.00    +0.015 A 
BRANCH  13  20
ATOM     19  C   LIG    1        8.290  -0.324   0.371  0.00  0.00    +0.090 C 
ATOM     20  S   LIG    1        7.590  -1.754  -0.495  0.00  0.00    -0.129 S 
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   9  11
ENDBRANCH   1  10
BRANCH   5  21
ATOM     21  O   LIG    1       -3.679   2.087  -0.696  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.506   1.289  -1.564  0.00  0.00    +0.200 C 
ATOM     23  C   LIG    1       -5.881   1.153  -0.884  0.00  0.00    +0.067 C 
ATOM     24  C   LIG    1       -4.739   2.131  -2.834  0.00  0.00    +0.067 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.020  -0.116  -2.016  0.00  0.00    +0.348 C 
ATOM     26  O   LIG    1       -3.458  -0.391  -3.066  0.00  0.00    -0.247 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -4.247  -1.094  -1.113  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1       -3.825  -1.883  -1.512  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 8