REMARK  Name = BDB042606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.137   1.325   2.991  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.845   0.798   1.918  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.471   0.641   1.508  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        0.884  -0.014   0.262  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        2.355  -0.461   0.275  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1        3.271   0.633   0.618  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1        4.551   0.816   0.110  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1        5.195   1.834   0.368  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.747   1.661   1.526  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1        1.544   1.187   2.348  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.142  -0.290  -0.772  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1        5.484  -1.547   0.025  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1        6.849  -1.251   0.634  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1        7.543  -0.301  -0.338  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1        6.496   0.091  -1.378  0.00  0.00    +0.013 C 
ENDBRANCH   7  11
BRANCH   2  16
ATOM     16  C   LIG    1       -1.917   0.278   0.976  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.322   0.636   1.466  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.385   0.174   0.500  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -4.631  -1.177   0.439  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.123  -1.817   1.040  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -5.563  -1.782  -0.380  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -5.704  -2.998  -0.371  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.354  -0.878  -1.249  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -6.110   0.503  -1.181  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1       -6.849   1.375  -1.991  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -7.821   0.874  -2.861  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -8.057  -0.499  -2.924  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -7.325  -1.370  -2.120  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -7.585  -2.681  -2.215  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.088   1.021  -0.267  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4