REMARK  Name = BDB046712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.195   0.415  -0.276  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        4.630   0.916   0.901  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        3.242   0.952   1.056  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.398   0.490   0.044  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        2.957  -0.012  -1.131  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        4.347  -0.050  -1.289  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        6.696   0.353  -0.445  0.00  0.00    +0.061 C 
BRANCH   7   8
ATOM      8  C   LIG    1        7.266  -1.037  -0.137  0.00  0.00    +0.210 C 
BRANCH   8  10
ATOM      9  O   LIG    1        7.415  -0.483   2.240  0.00  0.00    -0.250 OA
ATOM     10  C   LIG    1        7.258  -1.298   1.345  0.00  0.00    +0.319 C 
BRANCH  10  11
ATOM     11  O   LIG    1        7.057  -2.599   1.642  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1        7.093  -2.628   2.622  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
BRANCH   8  13
ATOM     13  C   LIG    1        8.658  -1.149  -0.686  0.00  0.00    +0.319 C 
ATOM     14  O   LIG    1        9.700  -1.259  -0.062  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1        8.686  -1.140  -2.037  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        9.637  -1.237  -2.258  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        1.064   0.583   0.326  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.156   0.131  -0.678  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.269   0.327  -0.168  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.176  -0.127  -1.171  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.512  -0.032  -0.890  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -4.073   0.471   0.284  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -5.469   0.511   0.456  0.00  0.00    -0.041 A 
ATOM     24  C   LIG    1       -6.032   1.095   1.730  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -7.501   0.742   1.959  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -8.308   0.975   0.688  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.812   0.065  -0.433  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -6.310   0.063  -0.579  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -5.739  -0.450  -1.750  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -4.353  -0.493  -1.903  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11