REMARK  Name = BDB028823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.319  -1.677  -0.015  0.00  0.00    -0.111 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.016  -0.423   0.095  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -1.304  -0.066   1.553  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -0.442   0.048   2.423  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -2.616   0.222   1.859  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -2.794   0.493   2.817  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -3.681   0.326   1.001  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.770   0.737   1.389  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.413  -0.014  -0.444  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.265  -1.005  -0.567  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  12
ATOM     11  C   LIG    1        2.172   0.093  -1.200  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        1.757  -0.606  -0.052  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        2.519  -0.505   1.120  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        3.666   0.290   1.158  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.071   0.986   0.023  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.328   0.888  -1.153  0.00  0.00    +0.020 A 
BRANCH  11  18
ATOM     17  N   LIG    1        0.823   0.016  -3.415  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        1.437   0.032  -2.430  0.00  0.00    +0.100 C 
ENDBRANCH  11  18
ENDBRANCH   1  12
TORSDOF 3