REMARK  Name = BDB050709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.190   0.847   1.502  0.00  0.00    +0.144 S 
ATOM      2  O   LIG    1        0.276  -0.272   2.422  0.00  0.00    -0.132 OA
ATOM      3  O   LIG    1        0.685   2.158   1.877  0.00  0.00    -0.132 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.452   1.031   0.970  0.00  0.00    +0.178 C 
ATOM      5  C   LIG    1       -2.200  -0.058   0.732  0.00  0.00    +0.030 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -3.589  -0.002   0.258  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -4.493   0.977   0.691  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -5.813   0.978   0.234  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -6.247  -0.006  -0.652  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.362  -0.995  -1.077  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.042  -0.997  -0.619  0.00  0.00    +0.008 A 
ENDBRANCH   5   6
ENDBRANCH   1   4
BRANCH   1  12
ATOM     12  O   LIG    1        0.860   0.419   0.079  0.00  0.00    -0.343 OA
BRANCH  12  17
ATOM     13  C   LIG    1        6.323  -0.783  -0.899  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        4.883  -0.486  -0.605  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        4.486  -0.103   0.681  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        3.149   0.205   0.955  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        2.196   0.142  -0.060  0.00  0.00    +0.157 A 
ATOM     18  C   LIG    1        2.591  -0.225  -1.349  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.926  -0.533  -1.623  0.00  0.00    +0.007 A 
ENDBRANCH  12  17
ENDBRANCH   1  12
TORSDOF 4