REMARK  Name = BDB050717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.045   0.191   0.219  0.00  0.00    -0.343 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.197  -0.059  -0.251  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        3.423   0.866  -0.950  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.036   0.915  -0.762  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.404   0.042   0.125  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1        2.171  -0.886   0.826  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        3.558  -0.934   0.637  0.00  0.00    +0.027 A 
BRANCH   2  10
ATOM      8  C   LIG    1        7.878   0.157  -1.046  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        6.435   0.577  -1.178  0.00  0.00    +0.214 C 
ATOM     10  N   LIG    1        5.595  -0.178  -0.379  0.00  0.00    -0.286 N 
ATOM     11  H   LIG    1        6.031  -0.895   0.187  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        6.118   1.508  -1.910  0.00  0.00    -0.276 OA
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  S   LIG    1       -0.880  -0.737   1.188  0.00  0.00    +0.144 S 
ATOM     14  O   LIG    1       -0.857  -2.099   0.689  0.00  0.00    -0.132 OA
ATOM     15  O   LIG    1       -0.549  -0.445   2.570  0.00  0.00    -0.132 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -2.421  -0.024   0.833  0.00  0.00    +0.178 C 
ATOM     17  C   LIG    1       -3.537  -0.719   1.101  0.00  0.00    +0.030 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.888  -0.209   0.834  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1       -5.859  -1.092   0.346  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -7.162  -0.651   0.102  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -7.509   0.674   0.355  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.555   1.558   0.857  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.252   1.118   1.100  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 5