REMARK  Name = BDB002822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.641  -0.579   0.956  0.00  0.00    -0.181 NA
ATOM      2  N   LIG    1       -0.032   0.463   0.784  0.00  0.00    -0.134 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.020   0.252  -0.193  0.00  0.00    +0.179 A 
ATOM      4  N   LIG    1       -2.287   0.232   0.258  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1       -3.261   0.054  -0.639  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1       -3.015  -0.086  -1.955  0.00  0.00    -0.219 NA
ATOM      7  C   LIG    1       -1.738  -0.048  -2.384  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -1.499  -0.201  -3.855  0.00  0.00    +0.066 C 
ATOM      9  C   LIG    1       -0.687   0.127  -1.522  0.00  0.00    +0.073 A 
BRANCH   5  10
ATOM     10  N   LIG    1       -4.575   0.045  -0.211  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -4.857  -0.213   1.205  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1       -5.797  -1.422   1.342  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1       -7.049  -1.269   0.654  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -6.965  -0.419  -0.502  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1       -5.581  -0.422  -1.168  0.00  0.00    +0.136 C 
ENDBRANCH   5  10
ENDBRANCH   2   3
BRANCH   1  16
ATOM     16  C   LIG    1        1.729  -0.391   1.938  0.00  0.00    +0.205 C 
BRANCH  16  19
ATOM     17  C   LIG    1        4.619  -0.223  -0.569  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.396  -0.525   0.034  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        3.058  -0.024   1.305  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        3.995   0.764   1.996  0.00  0.00    +0.125 A 
ATOM     21  C   LIG    1        5.220   1.065   1.391  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.528   0.579   0.114  0.00  0.00    +0.049 A 
BRANCH  17  24
ATOM     23  C   LIG    1        6.041  -0.516  -2.451  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        4.797  -0.769  -1.809  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
BRANCH  20  25
ATOM     25  O   LIG    1        3.627   1.178   3.249  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        4.522   2.029   3.953  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6