REMARK  Name = BDB017518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.486  -0.235  -0.570  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.166  -0.313  -0.317  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.554  -0.904  -1.272  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.940  -1.120  -1.285  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.293  -1.732  -2.508  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.090  -1.921  -3.217  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -0.958  -2.493  -4.525  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.415  -2.032  -2.882  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.049  -1.401  -2.450  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        1.289  -1.284  -2.639  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        2.068  -0.702  -1.701  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.871  -0.688  -0.264  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -3.037   0.843  -0.241  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -3.305   1.398   1.157  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -4.218   0.505   2.007  0.00  0.00    +0.063 C 
ATOM     16  C   LIG    1       -5.652   0.492   1.466  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -3.659  -0.928   2.135  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -2.558  -1.260   1.123  0.00  0.00    +0.028 C 
BRANCH  15  19
ATOM     19  O   LIG    1       -4.272   1.061   3.326  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -4.652   1.954   3.263  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        2.228   0.374   0.439  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1        1.607   0.628   1.193  0.00  0.00    +0.155 HD
BRANCH  21  25
ATOM     23  C   LIG    1        3.036   1.616   2.912  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        4.037   1.290   1.835  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1        3.572   0.644   0.572  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        4.525   0.380  -0.348  0.00  0.00    +0.138 A 
ATOM     27  N   LIG    1        5.860   0.691  -0.128  0.00  0.00    -0.219 N 
ATOM     28  C   LIG    1        6.308   1.292   1.043  0.00  0.00    +0.156 A 
ATOM     29  N   LIG    1        7.607   1.478   0.996  0.00  0.00    -0.215 NA
ATOM     30  C   LIG    1        7.934   0.977  -0.228  0.00  0.00    +0.246 A 
ATOM     31  N   LIG    1        6.923   0.490  -0.949  0.00  0.00    -0.154 NA
ATOM     32  C   LIG    1        5.342   1.588   2.036  0.00  0.00    +0.053 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4