REMARK  Name = BDB032575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.304  -0.283   0.763  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.794   0.120  -0.447  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -2.020   0.734  -0.277  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -2.268   0.697   1.032  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -1.218   0.067   1.730  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        1.418  -1.819   1.777  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        0.998  -0.953   0.743  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        1.871  -0.722  -0.340  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        3.138  -1.317  -0.411  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1        3.530  -2.173   0.619  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.682  -2.419   1.702  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        0.911  -2.960   3.821  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        0.538  -2.033   2.809  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
BRANCH   9  14
ATOM     14  C   LIG    1        4.052  -1.048  -1.583  0.00  0.00    +0.038 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.939   0.214  -1.500  0.00  0.00    -0.007 C 
ATOM     16  C   LIG    1        4.148   1.522  -1.395  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        5.052   2.747  -1.572  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1        6.500   2.510  -1.139  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        6.592   1.497  -0.007  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        6.010   0.133  -0.395  0.00  0.00    +0.004 C 
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  N   LIG    1       -3.408   1.196   1.639  0.00  0.00    -0.197 N 
ATOM     22  H   LIG    1       -3.609   0.955   2.604  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -4.755   1.742   0.805  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -5.797   1.897   1.805  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -4.335   2.879   0.014  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -5.231   0.381  -0.221  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -5.370  -0.892   0.354  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -5.688  -1.997  -0.443  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -5.932  -1.829  -1.803  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -5.850  -0.558  -2.368  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -5.485   0.545  -1.585  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -5.142  -1.090   1.693  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -6.363  -1.386   2.378  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -5.509   1.779  -2.173  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.377   1.970  -3.024  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 9