REMARK  Name = BDB028558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.900  -0.055  -0.116  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.362  -0.653   0.253  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        1.314   0.317  -1.583  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        1.397  -0.398  -0.593  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        2.545  -1.028  -0.197  0.00  0.00    -0.267 N 
ATOM      6  C   LIG    1        3.777  -0.938  -0.961  0.00  0.00    +0.119 C 
ATOM      7  C   LIG    1        4.689  -2.008  -0.345  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        4.184  -2.092   1.104  0.00  0.00    +0.029 C 
ATOM      9  C   LIG    1        2.682  -1.905   0.951  0.00  0.00    +0.112 C 
BRANCH   7  10
ATOM     10  C   LIG    1        6.167  -1.736  -0.481  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        6.987  -2.661  -1.150  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        8.356  -2.428  -1.293  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.926  -1.269  -0.772  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        8.127  -0.341  -0.106  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.758  -0.574   0.041  0.00  0.00    +0.004 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.939   1.409   0.341  0.00  0.00    +0.166 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.824   1.486   1.771  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1       -0.107   0.873   2.015  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.197   2.158  -0.153  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.484   1.438  -0.011  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.521   2.134  -0.804  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.918   1.587  -0.610  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -6.249   0.843   0.535  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -7.559   0.378   0.712  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -8.541   0.665  -0.234  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -8.223   1.414  -1.365  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.177   0.491   1.533  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.919   1.877  -1.550  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.920   1.365   1.395  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7