REMARK  Name = BDB028644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.607  -1.684  -1.049  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1       -0.337  -2.587  -0.663  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.185  -0.575  -0.797  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.379  -0.618  -0.032  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.813   0.693  -0.028  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        2.967   1.138   0.608  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.724   0.167   1.289  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.303  -1.179   1.303  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.940   1.460  -0.731  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        2.132  -1.599   0.643  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -0.091   0.666  -1.207  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        1.653  -2.881   0.618  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        2.534  -3.908   1.061  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        4.992   0.578   2.006  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        6.046   0.933   1.067  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        6.306   2.230   0.802  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        7.315   2.179  -0.071  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        7.713   0.859  -0.354  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.877   0.073   0.404  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -1.921  -1.707  -2.075  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1       -1.485  -1.191  -3.354  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.467  -3.046  -1.961  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -3.785   0.351  -2.004  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -3.088  -0.624  -1.293  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.297  -0.768   0.088  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -4.202   0.065   0.757  0.00  0.00    -0.038 A 
ATOM     27  C   LIG    1       -4.402  -0.057   2.246  0.00  0.00    +0.063 C 
ATOM     28  C   LIG    1       -5.713   0.597   2.673  0.00  0.00    +0.165 C 
ATOM     29  O   LIG    1       -5.768   1.933   2.171  0.00  0.00    -0.375 OA
ATOM     30  C   LIG    1       -5.897   1.947   0.744  0.00  0.00    +0.195 C 
ATOM     31  C   LIG    1       -4.894   1.059   0.046  0.00  0.00    -0.015 A 
ATOM     32  C   LIG    1       -4.696   1.179  -1.337  0.00  0.00    +0.053 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -2.929   1.606  -3.736  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -3.694   0.458  -3.363  0.00  0.00    -0.493 OA
ENDBRANCH  23  34
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7