REMARK  Name = BDB060836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.174  -0.958   0.536  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        0.225  -1.175   0.469  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1        0.737  -2.430   0.865  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.099  -3.447   1.324  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -1.468  -3.229   1.404  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.996  -1.998   1.017  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.323   2.167  -0.872  0.00  0.00    +0.186 A 
ATOM      8  N   LIG    1       -1.393   1.184  -0.803  0.00  0.00    -0.316 N 
ATOM      9  H   LIG    1       -0.538   1.138  -1.334  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -1.845   0.287   0.135  0.00  0.00    +0.163 A 
ATOM     11  N   LIG    1       -3.018   0.723   0.571  0.00  0.00    -0.128 NA
ATOM     12  N   LIG    1       -3.313   1.914  -0.058  0.00  0.00    -0.123 NA
BRANCH   7  13
ATOM     13  S   LIG    1       -2.136   3.513  -1.918  0.00  0.00    -0.104 S 
ATOM     14  H   LIG    1       -3.284   4.124  -1.589  0.00  0.00    +0.110 HD
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1        1.188  -0.150   0.037  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1        1.453   0.973   0.837  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.343   1.960   0.409  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.987   1.834  -0.820  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        2.747   0.719  -1.620  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        1.857  -0.269  -1.193  0.00  0.00    +0.008 A 
ENDBRANCH   2  15
TORSDOF 3