REMARK  Name = BDB060028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.026  -2.909  -1.092  0.00  0.00    -0.435 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.925  -0.974  -0.274  0.00  0.00    +0.098 A 
ATOM      3  N   LIG    1       -2.623  -1.330  -0.322  0.00  0.00    -0.208 NA
ATOM      4  C   LIG    1       -2.344  -2.467  -1.011  0.00  0.00    +0.262 A 
ATOM      5  C   LIG    1       -3.336  -3.261  -1.611  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -4.632  -2.896  -1.568  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -4.902  -1.742  -0.901  0.00  0.00    +0.141 A 
BRANCH   2  10
ATOM      8  C   LIG    1       -2.085   1.721   0.004  0.00  0.00    +0.070 C 
ATOM      9  C   LIG    1       -3.424   1.430   0.574  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -4.215   0.254   0.435  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -5.331   0.517   1.204  0.00  0.00    +0.144 A 
ATOM     12  C   LIG    1       -6.544  -0.227   1.597  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -5.233   1.773   1.718  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -4.043   2.348   1.327  0.00  0.00    -0.083 NA
ENDBRANCH   2  10
BRANCH   5  15
ATOM     15  N   LIG    1       -3.051  -4.418  -2.336  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1       -2.438  -5.045  -1.827  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -3.931  -4.849  -2.604  0.00  0.00    +0.144 HD
ENDBRANCH   5  15
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1       -0.069  -1.937  -0.936  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1        0.638  -1.872   0.265  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        1.626  -0.899   0.433  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        1.920  -0.012  -0.613  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        1.208  -0.092  -1.818  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        0.221  -1.063  -1.985  0.00  0.00    +0.047 A 
BRANCH  21  24
ATOM     24  C   LIG    1        2.958   1.049  -0.472  0.00  0.00    +0.248 C 
ATOM     25  N   LIG    1        4.074   0.676   0.255  0.00  0.00    -0.282 N 
ATOM     26  H   LIG    1        4.139  -0.295   0.530  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        2.761   2.124  -1.025  0.00  0.00    -0.270 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.187   1.477   0.584  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        6.244   0.856   1.263  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        7.381   1.581   1.631  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        7.471   2.936   1.326  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.424   3.563   0.655  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        5.286   2.837   0.287  0.00  0.00    +0.023 A 
ENDBRANCH  25  28
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 6