REMARK  Name = BDB020513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.527  -0.110   0.631  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1        2.395  -0.150   1.432  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.155   0.042   0.816  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.055   0.275  -0.575  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        2.269   0.301  -1.292  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1        2.240   0.529  -2.660  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        1.045   0.738  -3.348  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.158   0.713  -2.655  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.168   0.473  -1.274  0.00  0.00    +0.011 A 
ATOM     10  N   LIG    1        3.464   0.113  -0.710  0.00  0.00    -0.245 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.445   0.457  -0.587  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.489  -0.411  -0.814  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.710  -1.552  -1.720  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -4.108  -1.562  -2.124  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -5.127  -1.316  -1.207  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.736  -0.727   0.152  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -4.704  -1.845   1.190  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -6.307  -1.588  -1.442  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -4.431  -2.263  -3.353  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.461  -0.034   0.083  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.988   1.027   0.807  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.760   1.325   0.426  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.648   1.875   1.939  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.908   1.532   2.675  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.922   2.620   1.639  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  32
ATOM     26  C   LIG    1        6.102   1.687  -0.030  0.00  0.00    +0.066 C 
ATOM     27  C   LIG    1        5.974   0.476   0.824  0.00  0.00    +0.045 A 
ATOM     28  N   LIG    1        7.038  -0.098   1.475  0.00  0.00    -0.271 N 
ATOM     29  C   LIG    1        8.418   0.332   1.452  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.704  -1.176   2.207  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.394  -1.311   1.993  0.00  0.00    +0.144 A 
ATOM     32  C   LIG    1        4.876  -0.312   1.139  0.00  0.00    +0.042 A 
ENDBRANCH   1  32
BRANCH   2  33
ATOM     33  C   LIG    1        2.444  -0.358   2.845  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1        2.455  -0.548   3.990  0.00  0.00    -0.191 NA
ENDBRANCH   2  33
TORSDOF 4