REMARK  Name = BDB027181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.509   2.132  -0.707  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1       -1.985   2.637   0.562  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -1.423   3.001  -1.861  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.113   1.447  -0.435  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        0.501   1.067   0.851  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.783   0.550   1.060  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.699   0.423   0.000  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        2.293   0.841  -1.280  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.012   1.357  -1.500  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        4.046  -0.119   0.226  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        4.253  -1.342   0.867  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1        5.465  -1.899   1.106  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1        6.542  -1.203   0.687  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        6.461   0.018   0.040  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.198   0.562  -0.191  0.00  0.00    +0.011 A 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  17
ATOM     16  C   LIG    1       -2.110   0.174  -2.460  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1       -2.445   0.759  -1.138  0.00  0.00    -0.175 NA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.712  -0.264  -0.075  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1       -3.416   0.285   1.181  0.00  0.00    +0.137 C 
ATOM     20  N   LIG    1       -4.122  -0.888   1.774  0.00  0.00    -0.268 N 
ATOM     21  C   LIG    1       -4.184  -1.964   0.761  0.00  0.00    +0.118 C 
ATOM     22  C   LIG    1       -3.730  -1.309  -0.534  0.00  0.00    +0.042 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.878  -0.835   2.877  0.00  0.00    +0.169 C 
ATOM     24  N   LIG    1       -5.535  -0.801   3.828  0.00  0.00    -0.174 NA
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5