REMARK  Name = BDB051977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.377   1.461   0.287  0.00  0.00    +0.291 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.420   0.573   0.255  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -3.116   1.304   1.394  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -4.057   1.717   2.469  0.00  0.00    +0.067 C 
ATOM      5  N   LIG    1       -1.786   1.682   1.511  0.00  0.00    -0.245 NA
ATOM      6  C   LIG    1       -1.092   1.230   0.486  0.00  0.00    +0.116 A 
ATOM      7  S   LIG    1       -2.001   0.364  -0.689  0.00  0.00    -0.068 S 
BRANCH   2  12
ATOM      8  C   LIG    1       -8.445  -1.720  -1.454  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -7.154  -1.104  -1.000  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -6.494  -0.168  -1.804  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.274   0.381  -1.398  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -4.688  -0.005  -0.186  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1       -5.344  -0.952   0.611  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -6.563  -1.502   0.204  0.00  0.00    +0.004 A 
ENDBRANCH   2  12
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  O   LIG    1        1.032   0.197   0.408  0.00  0.00    -0.485 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.386   0.179   0.225  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        2.963  -1.091   0.277  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        4.345  -1.270   0.107  0.00  0.00    -0.005 A 
ATOM     19  C   LIG    1        4.932  -2.653   0.168  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        5.163  -0.149  -0.116  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        4.584   1.122  -0.165  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.203   1.285   0.005  0.00  0.00    +0.049 A 
BRANCH  20  23
ATOM     23  O   LIG    1        6.497  -0.412  -0.271  0.00  0.00    -0.481 OA
BRANCH  23  24
ATOM     24  C   LIG    1        7.367   0.692  -0.482  0.00  0.00    +0.349 C 
BRANCH  24  25
ATOM     25  C   LIG    1        8.799   0.211  -0.621  0.00  0.00    +0.343 C 
ATOM     26  O   LIG    1        9.221  -0.932  -0.573  0.00  0.00    -0.247 OA
BRANCH  25  27
ATOM     27  O   LIG    1        9.658   1.236  -0.823  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1       10.530   0.792  -0.893  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8