REMARK  Name = BDB060120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.987  -1.053  -2.274  0.00  0.00    -0.192 N 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        1.857   0.489  -0.354  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        1.028  -0.450  -0.981  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.162  -0.068  -1.619  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -0.516   1.288  -1.687  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1       -1.758   1.773  -2.378  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        0.302   2.226  -1.043  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        1.469   1.829  -0.383  0.00  0.00    +0.023 A 
BRANCH   2   9
ATOM      9  N   LIG    1        3.008   0.040   0.316  0.00  0.00    -0.314 N 
ATOM     10  H   LIG    1        3.371  -0.843  -0.032  0.00  0.00    +0.152 HD
BRANCH   9  13
ATOM     11  C   LIG    1        5.863   0.742   2.587  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        5.085   0.234   1.540  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        3.724   0.552   1.412  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        3.161   1.412   2.358  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.927   1.925   3.408  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.277   1.591   3.523  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.003   0.822   3.621  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.170   0.337   2.576  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   9  13
ENDBRANCH   2   9
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  S   LIG    1       -1.809  -2.165  -1.276  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -0.866  -2.755  -0.354  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.523  -3.054  -2.181  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.009  -1.142  -0.406  0.00  0.00    +0.115 A 
ATOM     23  C   LIG    1       -4.173  -0.708  -1.094  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -4.479  -1.034  -2.533  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1       -5.133   0.054  -0.402  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.954   0.416   0.932  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1       -6.004   1.204   1.658  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -3.809  -0.022   1.600  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -2.824  -0.795   0.955  0.00  0.00    -0.023 A 
ATOM     30  C   LIG    1       -1.643  -1.212   1.792  0.00  0.00    +0.046 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH   1  31
ATOM     31  C   LIG    1       -0.437  -1.613  -3.534  0.00  0.00    +0.251 C 
BRANCH  31  32
ATOM     32  C   LIG    1        0.371  -2.887  -3.430  0.00  0.00    +0.324 C 
ATOM     33  O   LIG    1        1.595  -2.910  -3.414  0.00  0.00    -0.249 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -0.365  -4.022  -3.370  0.00  0.00    -0.479 OA
ATOM     35  H   LIG    1       -1.335  -3.885  -3.246  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 9