REMARK  Name = BDB060839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.383   0.518   0.428  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1       -1.015   0.658   0.683  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -0.051  -0.043  -0.063  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -0.490  -0.925  -1.059  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.856  -1.117  -1.282  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.794  -0.414  -0.525  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.367   0.170   0.228  0.00  0.00    +0.162 A 
ATOM      8  N   LIG    1        2.399  -0.609  -0.235  0.00  0.00    -0.316 N 
ATOM      9  H   LIG    1        2.338  -1.427  -0.818  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        3.538  -0.074   0.274  0.00  0.00    +0.186 A 
ATOM     11  N   LIG    1        3.260   0.969   1.010  0.00  0.00    -0.123 NA
ATOM     12  N   LIG    1        1.889   1.122   0.986  0.00  0.00    -0.129 NA
BRANCH  10  13
ATOM     13  S   LIG    1        5.077  -0.750  -0.059  0.00  0.00    -0.104 S 
ATOM     14  H   LIG    1        5.790   0.127   0.663  0.00  0.00    +0.110 HD
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  N   LIG    1       -3.323   1.132   1.264  0.00  0.00    -0.358 N 
ATOM     16  H   LIG    1       -4.237   1.254   0.840  0.00  0.00    +0.142 HD
ATOM     17  H   LIG    1       -2.985   1.983   1.703  0.00  0.00    +0.142 HD
ENDBRANCH   1  15
TORSDOF 3