REMARK  Name = BDB051988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.260   0.135   0.862  0.00  0.00    -0.485 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        3.921  -3.041  -0.286  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1        3.422  -1.664   0.063  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1        4.316  -0.581   0.153  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        3.822   0.686   0.464  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.455   0.874   0.693  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        1.562  -0.194   0.613  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.048  -1.461   0.295  0.00  0.00    +0.052 A 
BRANCH   4   9
ATOM      9  O   LIG    1        5.630  -0.882  -0.088  0.00  0.00    -0.481 OA
BRANCH   9  10
ATOM     10  C   LIG    1        6.607   0.133   0.082  0.00  0.00    +0.349 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.750   1.090  -1.092  0.00  0.00    +0.343 C 
ATOM     12  O   LIG    1        6.175   1.054  -2.167  0.00  0.00    -0.247 OA
BRANCH  11  13
ATOM     13  O   LIG    1        7.645   2.071  -0.841  0.00  0.00    -0.478 OA
ATOM     14  H   LIG    1        7.649   2.598  -1.669  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1       -0.698  -0.924   0.815  0.00  0.00    +0.291 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.038  -0.330   1.135  0.00  0.00    +0.116 A 
ATOM     17  S   LIG    1       -2.391   0.209   2.731  0.00  0.00    -0.077 S 
ATOM     18  C   LIG    1       -3.961   0.668   2.216  0.00  0.00    +0.075 A 
ATOM     19  C   LIG    1       -4.135   0.368   0.879  0.00  0.00    +0.079 A 
ATOM     20  N   LIG    1       -3.026  -0.205   0.271  0.00  0.00    -0.241 NA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.355   0.627   0.117  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -6.597   0.839   0.737  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -7.744   1.083  -0.028  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -7.659   1.114  -1.417  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -9.071   1.414  -2.354  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -6.439   0.901  -2.051  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.294   0.657  -1.286  0.00  0.00    +0.011 A 
ENDBRANCH  19  21
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8