REMARK  Name = BDB050715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.635   0.442   0.160  0.00  0.00    -0.343 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.449  -0.406   0.433  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -2.505  -1.005   1.276  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -1.149  -0.692   1.150  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.718   0.220   0.182  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1       -1.654   0.820  -0.659  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -3.014   0.509  -0.535  0.00  0.00    +0.018 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -4.881  -0.771   0.607  0.00  0.00    +0.339 C 
ATOM      9  O   LIG    1       -5.274  -1.562   1.450  0.00  0.00    -0.245 OA
BRANCH   8  10
ATOM     10  O   LIG    1       -5.655  -0.105  -0.286  0.00  0.00    -0.461 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -7.722   0.536   0.798  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -7.062  -0.378  -0.218  0.00  0.00    +0.229 C 
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  S   LIG    1        1.351   1.427  -0.924  0.00  0.00    +0.144 S 
ATOM     14  O   LIG    1        1.190   0.861  -2.251  0.00  0.00    -0.132 OA
ATOM     15  O   LIG    1        0.952   2.793  -0.645  0.00  0.00    -0.132 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.997   1.232  -0.410  0.00  0.00    +0.178 C 
ATOM     17  C   LIG    1        3.642   0.085  -0.668  0.00  0.00    +0.030 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.036  -0.169  -0.283  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1        5.574   0.280   0.930  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        6.898  -0.008   1.270  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.694  -0.757   0.407  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.166  -1.222  -0.795  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.842  -0.935  -1.135  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 7