REMARK  Name = BDB060990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.940   0.599   2.358  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -1.473   1.929   2.541  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -0.551  -0.213   3.492  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -4.062  -0.210  -1.833  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -3.489  -0.681  -0.615  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.627   0.167   0.141  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.088  -0.342   1.361  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -2.401  -1.629   1.825  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -3.229  -2.448   1.079  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.354   1.454  -0.387  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.858   1.876  -1.615  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.755  -1.982  -0.124  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -3.685   1.037  -2.343  0.00  0.00    +0.023 A 
BRANCH   4  14
ATOM     14  N   LIG    1       -4.856  -1.036  -2.661  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1       -5.448  -1.674  -2.142  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -5.399  -0.513  -3.342  0.00  0.00    +0.142 HD
ENDBRANCH   4  14
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1        0.406   0.728   1.374  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        0.441   1.554   0.781  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.057  -0.487   0.900  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.392  -0.164   0.273  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1        2.552  -0.177  -1.120  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.787   0.143  -1.691  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        4.874   0.486  -0.878  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        4.717   0.510   0.512  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        3.482   0.190   1.082  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.163   0.818  -1.532  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        6.372   0.827  -2.731  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        7.132   1.125  -0.651  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        7.910   1.318  -1.216  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7