REMARK  Name = BDB007994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.148  -2.493   0.638  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        0.270  -1.099   0.233  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.627  -0.084   0.111  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.114   1.278  -0.300  0.00  0.00    +0.278 A 
ATOM      5  O   LIG    1       -0.814   2.271  -0.445  0.00  0.00    -0.265 OA
ATOM      6  N   LIG    1        1.273   1.339  -0.515  0.00  0.00    -0.179 N 
ATOM      7  C   LIG    1        2.138   0.273  -0.375  0.00  0.00    +0.155 A 
ATOM      8  C   LIG    1        3.393   0.744  -0.672  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        3.203   2.102  -0.981  0.00  0.00    +0.156 A 
ATOM     10  N   LIG    1        1.923   2.478  -0.890  0.00  0.00    -0.169 NA
ATOM     11  N   LIG    1        1.627  -0.922  -0.006  0.00  0.00    -0.342 N 
ATOM     12  H   LIG    1        2.220  -1.745   0.113  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -2.123  -0.213   0.358  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -2.951   0.050  -0.904  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -2.601   0.652   1.528  0.00  0.00    +0.012 C 
ENDBRANCH   3  13
BRANCH   8  16
ATOM     16  C   LIG    1        4.611   0.013  -0.666  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1        5.598  -0.597  -0.657  0.00  0.00    -0.191 NA
ENDBRANCH   8  16
TORSDOF 2