REMARK  Name = BDB045368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.296   1.607   1.837  0.00  0.00    -0.028 S 
ENDROOT
BRANCH   1   9
ATOM      2  O   LIG    1       -4.380  -0.522   3.831  0.00  0.00    -0.165 OA
ATOM      3  S   LIG    1       -3.397  -1.048   2.908  0.00  0.00    +0.020 S 
ATOM      4  C   LIG    1       -3.727  -0.376   1.331  0.00  0.00    +0.101 A 
ATOM      5  C   LIG    1       -2.705   0.500   0.964  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.805   1.142  -0.265  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.916   0.887  -1.083  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.924  -0.003  -0.678  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.661   0.581   1.996  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -4.838  -0.651   0.551  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -1.909  -0.180   3.072  0.00  0.00    +0.155 C 
ATOM     12  O   LIG    1       -3.143  -2.463   2.754  0.00  0.00    -0.165 OA
ENDBRANCH   1   9
BRANCH   1  13
ATOM     13  C   LIG    1        0.732   0.548   0.909  0.00  0.00    +0.282 A 
ATOM     14  O   LIG    1        1.937   0.966   0.403  0.00  0.00    -0.411 OA
ATOM     15  C   LIG    1        2.387  -0.160  -0.233  0.00  0.00    +0.249 A 
ATOM     16  N   LIG    1        1.546  -1.168  -0.130  0.00  0.00    -0.106 NA
ATOM     17  N   LIG    1        0.477  -0.710   0.611  0.00  0.00    -0.100 NA
BRANCH  15  18
ATOM     18  C   LIG    1        3.676  -0.083  -0.905  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        4.441   1.087  -0.908  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        5.657   1.083  -1.570  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        6.153   0.009  -2.219  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        5.403  -1.112  -2.206  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        4.176  -1.206  -1.573  0.00  0.00    +0.033 A 
ENDBRANCH  15  18
ENDBRANCH   1  13
TORSDOF 3