REMARK  Name = BDB006583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.581  -0.742  -0.272  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        1.247  -1.750  -1.199  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.252  -1.471  -2.163  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -0.093  -2.453  -3.107  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        0.529  -3.701  -3.102  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.504  -3.987  -2.152  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.386  -0.218  -2.160  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -0.065   0.766  -1.212  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        1.859  -3.022  -1.209  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        0.921   0.489  -0.261  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        2.532  -0.979   0.693  0.00  0.00    -0.491 OA
BRANCH  11  12
ATOM     12  C   LIG    1        3.783  -0.395   0.306  0.00  0.00    +0.231 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.844  -0.862   1.292  0.00  0.00    +0.069 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.213  -0.294   0.953  0.00  0.00    +0.163 C 
BRANCH  14  16
ATOM     15  C   LIG    1        8.461  -0.286   1.662  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        7.150  -0.771   1.917  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   8  17
ATOM     17  C   LIG    1       -0.815   2.080  -1.188  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.089   1.959  -0.473  0.00  0.00    -0.292 N 
ATOM     19  C   LIG    1       -3.220   1.656  -1.238  0.00  0.00    +0.246 C 
ATOM     20  O   LIG    1       -3.194   1.716  -2.475  0.00  0.00    -0.273 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.499   1.122  -0.551  0.00  0.00    +0.217 C 
ATOM     22  O   LIG    1       -4.939   1.830   0.609  0.00  0.00    -0.365 OA
ATOM     23  C   LIG    1       -5.621   1.006   1.561  0.00  0.00    +0.176 C 
ATOM     24  C   LIG    1       -6.409  -0.138   0.909  0.00  0.00    +0.109 C 
ATOM     25  N   LIG    1       -5.557  -1.065   0.148  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1       -5.301  -1.866   0.726  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.322  -0.395  -0.312  0.00  0.00    +0.122 C 
ENDBRANCH  19  21
BRANCH  18  28
ATOM     28  C   LIG    1       -2.042   1.922   0.971  0.00  0.00    +0.077 C 
ATOM     29  C   LIG    1       -2.631   3.037   1.800  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1       -1.153   2.838   1.785  0.00  0.00    +0.024 C 
ENDBRANCH  18  28
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 9