REMARK  Name = BDB050713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.159   0.148   1.710  0.00  0.00    +0.144 S 
ATOM      2  O   LIG    1       -0.344   1.161   2.618  0.00  0.00    -0.132 OA
ATOM      3  O   LIG    1        0.210  -1.247   2.106  0.00  0.00    -0.132 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.728   0.650   1.166  0.00  0.00    +0.178 C 
ATOM      5  C   LIG    1        2.491  -0.198   0.459  0.00  0.00    +0.030 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.821   0.145  -0.062  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        4.723   0.948   0.648  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        5.989   1.228   0.126  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        6.369   0.701  -1.106  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        5.487  -0.113  -1.814  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.222  -0.394  -1.292  0.00  0.00    +0.008 A 
ENDBRANCH   5   6
ENDBRANCH   1   4
BRANCH   1  12
ATOM     12  O   LIG    1       -0.639   0.268   0.293  0.00  0.00    -0.343 OA
BRANCH  12  16
ATOM     13  C   LIG    1       -4.684  -0.546  -0.367  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1       -3.840  -0.120  -1.390  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -2.491   0.141  -1.123  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1       -1.973  -0.020   0.165  0.00  0.00    +0.157 A 
ATOM     17  C   LIG    1       -2.815  -0.446   1.190  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -4.163  -0.706   0.920  0.00  0.00    +0.049 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -6.592  -0.686  -1.776  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -6.014  -0.836  -0.486  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  16
ENDBRANCH   1  12
TORSDOF 5