REMARK  Name = BDB008100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.016  -0.030   0.091  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.427  -1.383   0.407  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1       -1.088  -2.399   0.577  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1        0.974  -1.399   0.495  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1        1.784  -0.294   0.316  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1        3.077  -0.726   0.484  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1        2.964  -2.099   0.762  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1        1.199   0.892   0.033  0.00  0.00    -0.342 N 
ATOM      9  H   LIG    1        1.746   1.743  -0.110  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1        1.696  -2.522   0.773  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.180   1.025  -0.079  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -0.660   2.415  -0.420  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.049  -0.385  -1.341  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -2.522   0.004   0.033  0.00  0.00    +0.039 C 
ENDBRANCH   1  14
BRANCH   6  15
ATOM     15  C   LIG    1        4.263   0.051   0.395  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1        5.223   0.699   0.320  0.00  0.00    -0.191 NA
ENDBRANCH   6  15
TORSDOF 2