REMARK  Name = BDB007708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.047  -0.011   3.261  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.317   0.045   2.067  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.352  -0.682   1.104  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.229  -0.445   0.128  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.380   0.961   1.586  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.127   0.684   0.441  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        3.104   1.587   0.050  0.00  0.00    +0.119 A 
ATOM      8  N   LIG    1        3.342   2.724   0.729  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        2.621   2.961   1.847  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1        1.641   2.114   2.319  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1        3.885   1.397  -1.083  0.00  0.00    -0.329 N 
ATOM     12  H   LIG    1        4.493   2.214  -1.127  0.00  0.00    +0.147 HD
BRANCH  11  13
ATOM     13  C   LIG    1        4.634   0.141  -1.191  0.00  0.00    +0.107 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.731  -0.007  -0.113  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        6.320  -1.428  -0.141  0.00  0.00    +0.086 C 
ATOM     16  N   LIG    1        7.105  -1.677  -1.352  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1        7.466  -2.631  -1.327  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        8.233  -0.747  -1.448  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1        7.767   0.708  -1.458  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        6.872   1.016  -0.259  0.00  0.00    +0.007 C 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  21
ATOM     21  C   LIG    1       -1.472  -1.533   1.463  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.771  -0.760   1.770  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.649  -1.649   2.475  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -3.295  -1.717   3.381  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.441  -0.268   0.461  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.425   0.821   0.657  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.695   0.358   1.251  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.613  -0.385   0.301  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.521  -0.194  -1.090  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.410  -0.859  -1.945  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.398  -1.693  -1.422  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.501  -1.874  -0.045  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.426   0.669  -1.665  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.615  -1.221   0.813  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.726   1.528  -0.601  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 9