REMARK  Name = BDB060865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.776   2.369  -3.832  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -1.990   1.596  -0.272  0.00  0.00    +0.162 A 
ATOM      3  N   LIG    1       -2.179   1.768  -1.622  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -3.028   1.625  -2.145  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -0.978   2.145  -2.134  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -0.089   2.213  -1.174  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1       -0.721   1.862  -0.006  0.00  0.00    -0.128 NA
BRANCH   2  12
ATOM      8  C   LIG    1       -5.971  -0.009   3.619  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -4.943   0.379   2.598  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -3.630   0.659   2.987  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.680   1.052   2.039  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -3.019   1.183   0.685  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -4.342   0.916   0.304  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.294   0.523   1.253  0.00  0.00    +0.004 A 
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1        1.078   3.267  -3.896  0.00  0.00    -0.009 S 
BRANCH  15  16
ATOM     16  C   LIG    1        2.076   1.881  -3.678  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1        2.243   1.321  -2.451  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1        1.784   1.623  -1.602  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        3.057   0.232  -2.627  0.00  0.00    +0.162 A 
ATOM     20  N   LIG    1        3.404   0.191  -3.904  0.00  0.00    -0.128 NA
ATOM     21  N   LIG    1        2.783   1.232  -4.567  0.00  0.00    -0.122 NA
BRANCH  19  22
ATOM     22  C   LIG    1        3.455  -0.698  -1.570  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        4.442  -1.657  -1.835  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.850  -2.563  -0.851  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.267  -2.538   0.419  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        4.726  -3.486   1.486  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        3.288  -1.577   0.695  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.882  -0.670  -0.290  0.00  0.00    +0.012 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5