REMARK  Name = BDB060853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.805  -3.639  -2.695  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.209  -1.578  -0.524  0.00  0.00    +0.162 A 
ATOM      3  N   LIG    1        1.997  -2.161  -0.790  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1        1.139  -2.079  -0.263  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1        2.130  -2.804  -1.981  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        3.359  -2.692  -2.416  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1        4.042  -1.918  -1.496  0.00  0.00    -0.128 NA
BRANCH   2  11
ATOM      8  C   LIG    1        4.132   0.883   2.850  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.810   0.522   2.604  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.493  -0.282   1.504  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.499  -0.737   0.637  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        4.825  -0.358   0.897  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        5.141   0.444   1.996  0.00  0.00    +0.001 A 
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -0.237  -2.034  -3.461  0.00  0.00    -0.009 S 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.011  -1.432  -2.043  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1       -1.973  -0.476  -2.130  0.00  0.00    -0.316 N 
ATOM     17  H   LIG    1       -2.340  -0.079  -2.981  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -2.322  -0.157  -0.840  0.00  0.00    +0.162 A 
ATOM     19  N   LIG    1       -1.590  -0.903  -0.027  0.00  0.00    -0.128 NA
ATOM     20  N   LIG    1       -0.772  -1.706  -0.783  0.00  0.00    -0.122 NA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.328   0.835  -0.453  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -3.969   1.665  -1.385  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -4.925   2.599  -0.971  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.251   2.716   0.378  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.624   1.901   1.316  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.669   0.969   0.902  0.00  0.00    +0.011 A 
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5