REMARK  Name = BDB053554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.805   0.218   0.756  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.606   0.695  -0.546  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.378   0.514  -1.193  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.334  -0.144  -0.544  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.531  -0.621   0.752  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.754  -0.442   1.402  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.135   0.402   1.446  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.243  -0.534   0.941  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.940  -1.960   1.409  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -5.232  -2.464   2.482  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -4.292  -2.690   0.477  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -4.136  -3.554   0.913  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -6.478  -0.023   1.462  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -8.863  -0.023   1.496  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -7.623  -0.663   0.902  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.907  -0.391  -1.061  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.221   0.203  -2.321  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.671  -0.117  -2.684  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.664   0.606  -1.842  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        3.976   1.946  -1.795  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        3.499   3.157  -2.483  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1        4.960   2.115  -0.865  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1        5.218   0.851  -0.382  0.00  0.00    +0.235 A 
ATOM     24  N   LIG    1        4.469  -0.076  -0.957  0.00  0.00    -0.213 NA
BRANCH  23  25
ATOM     25  C   LIG    1        6.203   0.571   0.636  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        6.513  -0.652   1.223  0.00  0.00    -0.031 A 
ATOM     27  C   LIG    1        5.861  -1.960   0.904  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        7.558  -0.510   2.199  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        7.999   0.786   2.323  0.00  0.00    +0.046 A 
ATOM     30  S   LIG    1        7.168   1.841   1.274  0.00  0.00    -0.092 S 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11