REMARK  Name = BDB027654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.433  -1.490   0.087  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.415  -2.442   0.395  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.729  -2.028   0.178  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.715  -2.953   0.487  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -3.512  -4.208   0.968  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -2.234  -4.579   1.151  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -3.045  -0.816  -0.304  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.030   0.013  -0.597  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.163  -3.746   0.884  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.734  -0.284  -0.419  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.358   1.341  -1.147  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.683   1.797  -1.228  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.940   3.055  -1.750  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -2.982   3.891  -2.198  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -1.712   3.447  -2.123  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -1.359   2.207  -1.616  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.941  -1.800   0.287  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        1.035  -2.093   1.261  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.992  -0.810  -0.004  0.00  0.00    +0.131 C 
ATOM     20  C   LIG    1        2.224  -0.655  -1.542  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        3.225  -1.822  -1.475  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        3.384  -1.530   0.026  0.00  0.00    +0.037 C 
BRANCH  19  23
ATOM     23  C   LIG    1        1.911   0.483   0.910  0.00  0.00    +0.331 C 
ATOM     24  O   LIG    1        1.879   0.456   2.143  0.00  0.00    -0.248 OA
BRANCH  23  25
ATOM     25  O   LIG    1        1.880   1.643   0.185  0.00  0.00    -0.463 OA
BRANCH  25  27
ATOM     26  C   LIG    1        3.119   3.354   1.367  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        1.751   2.857   0.940  0.00  0.00    +0.229 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6