REMARK  Name = BDB009263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.143  -0.669  -0.822  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.308  -0.817  -1.586  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.296  -1.743  -1.215  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.078  -2.548  -0.088  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.910  -2.416   0.666  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.058  -1.479   0.301  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.610   0.924  -0.264  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        1.465   0.676   0.704  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        0.869   0.331  -1.260  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.002   0.591  -2.451  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.719   1.814  -0.558  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.979   1.065  -1.008  0.00  0.00    +0.057 C 
BRANCH  12  15
ATOM     13  C   LIG    1        5.523  -0.480   2.158  0.00  0.00    +0.162 A 
ATOM     14  C   LIG    1        5.123   0.464   1.192  0.00  0.00    +0.165 A 
ATOM     15  C   LIG    1        4.472   0.061   0.012  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1        4.263  -1.307  -0.212  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        4.683  -2.248   0.724  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.306  -1.838   1.905  0.00  0.00    +0.049 A 
BRANCH  13  20
ATOM     19  C   LIG    1        6.459  -0.920   4.311  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        6.090   0.013   3.304  0.00  0.00    -0.491 OA
ENDBRANCH  13  20
BRANCH  14  21
ATOM     21  O   LIG    1        5.282   1.818   1.379  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1        6.658   2.188   1.468  0.00  0.00    +0.277 C 
ENDBRANCH  14  21
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -3.550  -1.913  -2.042  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.279  -0.604  -2.333  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -5.019   0.096  -1.236  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -5.099  -0.492   0.145  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -6.169   0.166   1.022  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.132   1.683   0.886  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -6.361   2.109  -0.565  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.607   1.263  -1.554  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.531   1.783  -2.943  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -6.070   2.835  -3.269  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -4.832   1.012  -3.832  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -4.758   1.353  -4.784  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -4.205  -0.161  -3.553  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8