REMARK  Name = BDB061286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.478  -3.925  -0.777  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -3.880  -2.926  -0.391  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1       -2.704  -3.032   0.484  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -2.056  -1.859   0.882  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1       -0.930  -1.918   1.726  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.493  -3.183   2.158  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -1.137  -4.355   1.759  0.00  0.00    +0.092 A 
ATOM      8  O   LIG    1       -2.490  -0.617   0.474  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1       -3.617  -0.527  -0.324  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -2.241  -4.276   0.920  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -4.313  -1.579  -0.775  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -4.001   0.850  -0.676  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -3.042   1.739  -1.182  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.391   3.051  -1.511  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.700   3.481  -1.330  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -5.668   2.621  -0.824  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.317   1.307  -0.496  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -4.996   4.769  -1.663  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -5.937   4.929  -1.485  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   6  20
ATOM     20  O   LIG    1        0.577  -3.263   3.007  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        0.845  -4.192   3.094  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
BRANCH  10  22
ATOM     22  O   LIG    1       -2.830  -5.461   0.567  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -3.590  -5.262  -0.025  0.00  0.00    +0.292 HD
ENDBRANCH  10  22
BRANCH   5  24
ATOM     24  C   LIG    1       -0.193  -0.662   2.151  0.00  0.00    +0.127 C 
BRANCH  24  25
ATOM     25  N   LIG    1        1.048  -0.428   1.391  0.00  0.00    -0.298 NA
ATOM     26  C   LIG    1        1.911   0.545   2.057  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1        3.316   0.523   1.441  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1        3.298   0.266  -0.079  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1        1.953   0.693  -0.676  0.00  0.00    +0.023 C 
ATOM     30  C   LIG    1        0.792  -0.059  -0.009  0.00  0.00    +0.085 C 
BRANCH  28  31
ATOM     31  C   LIG    1        4.486   0.904  -0.777  0.00  0.00    -0.044 A 
ATOM     32  C   LIG    1        4.608   2.296  -0.903  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        5.712   2.860  -1.547  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.710   2.041  -2.070  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        6.605   0.657  -1.948  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1        5.502   0.093  -1.304  0.00  0.00    +0.004 A 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7