REMARK  Name = BDB060097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.375  -2.162   0.649  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.930  -1.636   0.822  0.00  0.00    +0.150 A 
ATOM      3  C   LIG    1       -2.071  -2.441   0.695  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -3.399  -1.812   0.897  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1       -3.414  -0.355   1.111  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1       -2.256   0.309   1.189  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1       -4.464  -2.414   0.892  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -1.918  -3.794   0.376  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1       -0.646  -4.331   0.177  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1       -1.018  -0.292   1.111  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1        0.483  -3.519   0.304  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.200   1.769   1.392  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -3.040   2.641   0.684  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.950   4.024   0.865  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.015   4.553   1.752  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.168   3.701   2.457  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -1.258   2.319   2.276  0.00  0.00    +0.011 A 
ENDBRANCH   6  12
BRANCH   8  18
ATOM     18  O   LIG    1       -3.004  -4.610   0.238  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -2.736  -5.514   0.015  0.00  0.00    +0.292 HD
ENDBRANCH   8  18
BRANCH  11  20
ATOM     20  O   LIG    1        1.714  -4.067   0.078  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        1.624  -4.998  -0.181  0.00  0.00    +0.292 HD
ENDBRANCH  11  20
BRANCH   1  22
ATOM     22  C   LIG    1        1.587  -1.222   0.775  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.883  -0.519  -0.552  0.00  0.00    -0.032 A 
ATOM     24  C   LIG    1        1.530   0.838  -0.718  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        1.758   1.492  -1.929  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1        2.358   0.784  -2.975  0.00  0.00    +0.158 A 
ATOM     27  C   LIG    1        2.713  -0.551  -2.839  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        2.468  -1.203  -1.631  0.00  0.00    +0.008 A 
BRANCH  25  29
ATOM     29  O   LIG    1        1.450   2.799  -2.211  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        0.648   3.479  -1.250  0.00  0.00    +0.277 C 
ENDBRANCH  25  29
BRANCH  26  31
ATOM     31  O   LIG    1        2.605   1.401  -4.171  0.00  0.00    -0.503 OA
ATOM     32  H   LIG    1        2.286   2.317  -4.048  0.00  0.00    +0.292 HD
ENDBRANCH  26  31
ENDBRANCH  22  23
BRANCH  22  34
ATOM     33  C   LIG    1        4.085  -1.527   1.311  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1        2.788  -1.814   1.502  0.00  0.00    -0.022 C 
ENDBRANCH  22  34
ENDBRANCH   1  22
TORSDOF 8