REMARK  Name = BDB009268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.283  -0.049   0.724  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.595  -0.184  -0.362  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.274  -1.391  -0.592  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.043  -2.471   0.271  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.186  -2.335   1.365  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.470  -1.125   1.599  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.507   2.283   0.436  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.974   1.258   0.918  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.164   1.226   1.615  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.626   0.336   1.739  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.001   2.408   1.731  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.815   2.691   0.462  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.758   1.560   0.111  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        5.949   1.380   0.834  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        6.755   0.311   0.501  0.00  0.00    +0.166 A 
ATOM     16  O   LIG    1        7.929  -0.016   1.108  0.00  0.00    -0.453 OA
ATOM     17  C   LIG    1        8.304  -1.190   0.357  0.00  0.00    +0.466 C 
ATOM     18  O   LIG    1        7.348  -1.549  -0.664  0.00  0.00    -0.453 OA
ATOM     19  C   LIG    1        6.424  -0.563  -0.508  0.00  0.00    +0.166 A 
ATOM     20  C   LIG    1        5.266  -0.417  -1.241  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        4.426   0.656  -0.926  0.00  0.00    +0.007 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1       -2.211  -1.540  -1.769  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.288  -0.460  -1.837  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -4.414  -0.468  -0.847  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.541  -1.562   0.176  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -5.912  -1.595   0.861  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.367  -0.192   1.244  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.463   0.707   0.010  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.297   0.543  -0.928  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -5.151   1.578  -1.984  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -5.943   2.510  -2.087  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -4.089   1.419  -2.834  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -3.962   2.123  -3.554  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -3.153   0.433  -2.773  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6