REMARK  Name = BDB009054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.863   1.207   1.786  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.750   0.148   1.992  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        3.049   0.374   2.477  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        3.447   1.682   2.777  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        2.567   2.744   2.582  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.284   2.508   2.088  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.077  -0.124   0.923  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -0.445   1.054   1.278  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -0.989   1.904   1.217  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -0.633  -1.260   1.031  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -5.082   0.285  -0.602  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.721  -0.801   0.206  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -3.416  -0.925   0.692  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.456   0.045   0.384  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -2.801   1.125  -0.436  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -4.108   1.242  -0.917  0.00  0.00    +0.024 A 
BRANCH  11  17
ATOM     17  N   LIG    1       -6.385   0.464  -1.121  0.00  0.00    -0.330 N 
BRANCH  17  19
ATOM     18  C   LIG    1       -8.517   1.515  -0.492  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -7.378   0.612  -0.039  0.00  0.00    +0.102 C 
ENDBRANCH  17  19
BRANCH  17  20
ATOM     20  C   LIG    1       -6.731  -0.558  -2.133  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -6.004  -0.306  -3.448  0.00  0.00    +0.024 C 
ENDBRANCH  17  20
ENDBRANCH  11  17
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1        3.995  -0.785   2.692  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.277  -0.672   1.872  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        5.256  -0.989   0.408  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        4.000  -1.469  -0.265  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1        4.247  -2.070  -1.652  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        5.211  -1.208  -2.457  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        6.554  -1.071  -1.738  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        6.411  -0.829  -0.261  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        7.633  -0.388   0.457  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        8.706  -0.245  -0.120  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        7.490  -0.159   1.798  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        8.314   0.143   2.307  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        6.341  -0.284   2.512  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7