REMARK  Name = BDB000045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.029  -1.214  -0.149  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1       -0.081  -2.077   0.368  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.114  -0.402   0.026  0.00  0.00    +0.124 A 
ATOM      4  N   LIG    1       -1.007   0.902   0.358  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1       -2.142   1.623   0.501  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -3.411   1.105   0.325  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -3.522  -0.233  -0.021  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.364  -0.993  -0.174  0.00  0.00    +0.044 A 
ENDBRANCH   1   3
BRANCH   1  11
ATOM      9  C   LIG    1        3.455   0.341  -0.437  0.00  0.00    +0.110 A 
ATOM     10  S   LIG    1        1.857   0.665  -0.939  0.00  0.00    -0.042 S 
ATOM     11  C   LIG    1        1.308  -0.770  -0.144  0.00  0.00    +0.165 A 
ATOM     12  N   LIG    1        2.272  -1.483   0.406  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        3.488  -0.843   0.261  0.00  0.00    +0.139 A 
BRANCH   9  15
ATOM     14  N   LIG    1        5.502   1.833  -0.937  0.00  0.00    -0.190 NA
ATOM     15  C   LIG    1        4.575   1.170  -0.716  0.00  0.00    +0.108 C 
ENDBRANCH   9  15
ENDBRANCH   1  11
TORSDOF 3