REMARK  Name = BDB046250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.021  -1.596  -0.317  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.119  -1.079   0.409  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1       -2.365   0.309   0.284  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.614   1.166  -0.548  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -0.587   0.587  -1.299  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.280  -0.780  -1.200  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.032  -1.959   1.301  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -4.253  -1.200   1.886  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -3.624  -3.137   0.493  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -2.244  -2.498   2.513  0.00  0.00    +0.015 C 
ENDBRANCH   2   7
BRANCH   4  11
ATOM     11  C   LIG    1       -1.952   2.667  -0.622  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -1.021   3.473  -1.556  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -3.393   2.849  -1.144  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -1.836   3.296   0.784  0.00  0.00    +0.015 C 
ENDBRANCH   4  11
BRANCH   6  15
ATOM     15  C   LIG    1        0.783  -1.299  -2.094  0.00  0.00    -0.040 C 
ATOM     16  C   LIG    1        2.093  -1.009  -1.947  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        0.288  -2.175  -3.215  0.00  0.00    +0.044 C 
BRANCH  16  18
ATOM     18  C   LIG    1        2.686  -0.206  -0.894  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        4.002   0.059  -0.834  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.682   0.852   0.196  0.00  0.00    -0.044 C 
ATOM     21  C   LIG    1        6.029   0.922   0.158  0.00  0.00    +0.094 C 
ATOM     22  C   LIG    1        3.824   1.571   1.207  0.00  0.00    +0.044 C 
BRANCH  21  23
ATOM     23  C   LIG    1        6.928   1.611   1.094  0.00  0.00    +0.330 C 
ATOM     24  O   LIG    1        7.996   2.105   0.781  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.522   1.566   2.370  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        7.239   2.016   2.861  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  19  20
ENDBRANCH  16  18
ENDBRANCH   6  15
BRANCH   1  28
ATOM     27  C   LIG    1        0.545  -3.161   0.416  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -0.727  -2.934  -0.195  0.00  0.00    -0.494 OA
ENDBRANCH   1  28
TORSDOF 8