REMARK  Name = BDB048411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.722   1.013   0.531  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.230   1.365   0.512  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -0.199   2.111  -0.756  0.00  0.00    -0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -1.677   2.519  -0.734  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -2.615   1.565  -1.482  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.671   0.153  -0.898  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.749  -0.688  -1.587  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.792  -2.135  -1.096  0.00  0.00    -0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.131  -2.346   0.385  0.00  0.00    -0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.549  -1.921   0.785  0.00  0.00    -0.000 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.032  -0.166   1.819  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.618  -0.513   1.381  0.00  0.00    -0.003 C 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        2.109  -0.022  -0.529  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.541  -0.545  -0.368  0.00  0.00    +0.001 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.607   0.534  -0.586  0.00  0.00    +0.017 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.028  -0.031  -0.608  0.00  0.00    +0.107 C 
BRANCH  16  17
ATOM     17  N   LIG    1        6.404  -0.497   0.738  0.00  0.00    -0.180 NA
ATOM     18  H   LIG    1        5.857  -1.299   1.052  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  S   LIG    1        8.014  -0.812   1.021  0.00  0.00    +0.092 S 
ATOM     20  O   LIG    1        8.584  -1.408  -0.160  0.00  0.00    -0.142 OA
ATOM     21  O   LIG    1        8.142  -1.389   2.331  0.00  0.00    -0.142 OA
BRANCH  19  22
ATOM     22  N   LIG    1        8.590   0.742   1.096  0.00  0.00    -0.193 NA
ATOM     23  H   LIG    1        9.392   0.770   1.725  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        8.836   1.066   0.163  0.00  0.00    +0.145 HD
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 17