REMARK  Name = BDB060095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.519  -2.248   1.550  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1        1.886  -1.571   0.498  0.00  0.00    +0.191 A 
ATOM      3  F   LIG    1        2.583  -0.805  -0.352  0.00  0.00    -0.199 F 
ATOM      4  C   LIG    1        0.507  -1.728   0.348  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -0.230  -2.558   1.185  0.00  0.00    +0.092 A 
ATOM      6  N   LIG    1       -1.550  -2.568   0.822  0.00  0.00    -0.229 NA
ATOM      7  C   LIG    1       -1.650  -1.758  -0.217  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1        0.413  -3.254   2.221  0.00  0.00    +0.033 A 
ATOM      9  N   LIG    1       -0.419  -1.217  -0.531  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.143  -0.282  -1.595  0.00  0.00    +0.151 C 
ATOM     11  C   LIG    1        1.795  -3.095   2.391  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        3.878  -2.188   1.767  0.00  0.00    -0.453 OA
BRANCH  12  17
ATOM     13  C   LIG    1        6.305   0.442   1.252  0.00  0.00    +0.218 A 
ATOM     14  N   LIG    1        5.798   1.502   1.918  0.00  0.00    -0.221 NA
ATOM     15  C   LIG    1        4.618   1.315   2.548  0.00  0.00    +0.118 A 
ATOM     16  C   LIG    1        3.917   0.121   2.540  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1        4.460  -0.942   1.823  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1        5.684  -0.792   1.183  0.00  0.00    +0.113 A 
BRANCH  13  20
ATOM     19  C   LIG    1        8.075   1.860   0.673  0.00  0.00    +0.279 C 
ATOM     20  O   LIG    1        7.517   0.552   0.597  0.00  0.00    -0.480 OA
ENDBRANCH  13  20
ENDBRANCH  12  17
ENDBRANCH   1  12
BRANCH   7  21
ATOM     21  C   LIG    1       -2.905  -1.491  -0.985  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.264  -0.131  -0.747  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.413   0.320  -1.335  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -4.710   1.661  -1.076  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -5.861   2.253  -1.611  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -6.721   1.495  -2.412  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.426   0.157  -2.674  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.275  -0.430  -2.137  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -6.125   3.680  -1.306  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -5.405   4.417  -0.658  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.283   4.120  -1.829  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -7.328   5.056  -1.541  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 8