REMARK  Name = BDB032560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.277  -0.584  -0.143  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -2.442  -1.054  -1.412  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -1.484  -2.018  -1.680  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -0.742  -2.105  -0.575  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -1.195  -1.221   0.421  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -4.557   0.495  -0.067  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -3.195   0.461   0.304  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.696   1.472   1.148  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.519   2.501   1.604  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.856   2.533   1.228  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.374   1.535   0.399  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -6.346  -0.468  -1.334  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -5.012  -0.536  -0.849  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  N   LIG    1        0.317  -2.996  -0.541  0.00  0.00    -0.201 N 
ATOM     15  H   LIG    1        0.456  -3.555  -1.380  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        1.627  -2.887   0.475  0.00  0.00    +0.045 S 
ATOM     17  O   LIG    1        1.167  -2.648   1.826  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        2.473  -4.018   0.159  0.00  0.00    -0.155 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.444  -1.413  -0.119  0.00  0.00    +0.193 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.739  -1.185   0.648  0.00  0.00    +0.059 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.430   0.070   0.179  0.00  0.00    -0.046 A 
ATOM     22  C   LIG    1        5.320   0.028  -0.903  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.940   1.194  -1.353  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.674   2.412  -0.729  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.788   2.465   0.345  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.166   1.300   0.797  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 7