REMARK  Name = BDB045920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.205   1.293  -1.117  0.00  0.00    +0.025 C 
ATOM      2  C   LIG    1       -3.459   0.623   0.037  0.00  0.00    +0.065 C 
ATOM      3  N   LIG    1       -3.891  -0.787   0.142  0.00  0.00    -0.311 NA
ATOM      4  H   LIG    1       -4.065  -1.173  -0.785  0.00  0.00    +0.122 HD
ATOM      5  C   LIG    1       -2.883  -1.617   0.820  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1       -1.897  -0.823   1.701  0.00  0.00    +0.100 C 
ATOM      7  N   LIG    1       -1.125   0.201   0.968  0.00  0.00    -0.291 NA
ATOM      8  C   LIG    1       -1.923   0.777  -0.141  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        0.169  -0.341   0.492  0.00  0.00    +0.180 C 
BRANCH   9  10
ATOM     10  C   LIG    1        1.121   0.721  -0.102  0.00  0.00    +0.230 C 
ATOM     11  N   LIG    1        2.445   0.333  -0.224  0.00  0.00    -0.300 N 
ATOM     12  C   LIG    1        3.448   1.240  -0.755  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1        4.774   0.557  -0.453  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        4.412  -0.923  -0.502  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        3.025  -0.954   0.122  0.00  0.00    +0.108 C 
ATOM     16  O   LIG    1        0.757   1.833  -0.487  0.00  0.00    -0.274 OA
ENDBRANCH   9  10
ENDBRANCH   7   9
TORSDOF 2