REMARK  Name = BDB028346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.663  -1.331  -0.958  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.380  -0.222  -0.484  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.489  -0.408   0.352  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.882  -1.700   0.693  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.053  -1.887   1.565  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.683  -0.741   1.983  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.493  -0.851   2.587  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.320   0.533   1.676  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.434  -3.006   1.888  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.179  -2.811   0.211  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.283   0.716   0.908  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.071  -2.625  -0.616  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        1.694  -0.547  -1.522  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        2.395  -0.552  -2.712  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        3.796  -0.298  -2.953  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1        1.685  -1.032  -3.755  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        0.528  -1.401  -3.217  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.475  -1.144  -1.832  0.00  0.00    +0.028 A 
BRANCH  13  22
ATOM     19  C   LIG    1        3.944   1.809   2.445  0.00  0.00    +0.174 C 
ATOM     20  N   LIG    1        3.111   0.974   1.607  0.00  0.00    -0.256 N 
ATOM     21  C   LIG    1        3.128   0.889   0.237  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1        2.151  -0.028  -0.104  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1        1.596  -0.406   1.143  0.00  0.00    +0.145 A 
ATOM     24  N   LIG    1        2.173   0.203   2.179  0.00  0.00    -0.178 NA
BRANCH  21  25
ATOM     25  C   LIG    1        3.968   1.706  -0.558  0.00  0.00    +0.119 C 
ATOM     26  N   LIG    1        4.677   2.383  -1.177  0.00  0.00    -0.189 NA
ENDBRANCH  21  25
ENDBRANCH  13  22
ENDBRANCH   1  18
BRANCH  11  27
ATOM     27  C   LIG    1       -2.861   2.147   0.560  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.732   3.128   1.219  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -4.697   2.904   0.963  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -3.712   2.934   2.223  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5