REMARK  Name = BDB001731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.970   0.805   0.925  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -1.392   0.966  -0.400  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.385   0.143  -0.935  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.977  -0.855  -0.153  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -2.560  -1.014   1.174  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.565  -0.191   1.708  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.117   1.683   1.495  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.506   1.378   0.927  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.026  -0.001   1.340  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.087  -1.485  -1.481  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.792  -0.867  -0.346  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.397  -0.252   0.822  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        4.507   0.154   1.527  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.526  -0.223   0.776  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.158  -0.853  -0.386  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.958  -0.061   1.014  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.398   0.574   2.186  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        8.761   0.745   2.442  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.703   0.282   1.527  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        9.285  -0.351   0.358  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.921  -0.521   0.103  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.073  -1.732  -0.720  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.490  -1.217  -0.388  0.00  0.00    +0.132 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.821   0.070  -1.135  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1       -6.084   0.066  -2.514  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.391   1.253  -3.180  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.431   2.456  -2.480  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.160   2.476  -1.114  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.855   1.291  -0.444  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
BRANCH  23  30
ATOM     30  C   LIG    1       -6.525  -2.315  -0.633  0.00  0.00    +0.313 C 
ATOM     31  O   LIG    1       -6.258  -3.483  -0.876  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.810  -1.901  -0.508  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -7.901  -0.939  -0.351  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10