REMARK  Name = BDB050719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.165  -0.058  -0.101  0.00  0.00    -0.343 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        4.719  -0.607   0.418  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        3.330  -0.603   0.584  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        2.508  -0.004  -0.374  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1        3.083   0.573  -1.508  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        4.471   0.549  -1.685  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        5.292  -0.044  -0.727  0.00  0.00    +0.015 A 
BRANCH   2   9
ATOM      8  O   LIG    1        5.220  -2.273   2.034  0.00  0.00    -0.245 OA
ATOM      9  C   LIG    1        5.548  -1.249   1.461  0.00  0.00    +0.337 C 
BRANCH   9  10
ATOM     10  O   LIG    1        6.674  -0.560   1.742  0.00  0.00    -0.477 OA
ATOM     11  H   LIG    1        6.723   0.325   1.335  0.00  0.00    +0.295 HD
ENDBRANCH   9  10
ENDBRANCH   2   9
ENDBRANCH   1   4
BRANCH   1  12
ATOM     12  S   LIG    1        0.051   0.727  -0.996  0.00  0.00    +0.144 S 
ATOM     13  O   LIG    1        0.285   2.154  -0.879  0.00  0.00    -0.132 OA
ATOM     14  O   LIG    1       -0.032   0.091  -2.297  0.00  0.00    -0.132 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -1.359   0.323  -0.072  0.00  0.00    +0.178 C 
ATOM     16  C   LIG    1       -2.570   0.508  -0.621  0.00  0.00    +0.030 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.825   0.191   0.069  0.00  0.00    -0.024 A 
ATOM     18  C   LIG    1       -4.028   0.483   1.425  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -5.248   0.188   2.039  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.279  -0.390   1.303  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.095  -0.669  -0.050  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.876  -0.375  -0.665  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 6