REMARK  Name = BDB008577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.378   0.611   1.092  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.499   1.378   2.420  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        2.421   0.580  -1.521  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        3.591   0.637  -0.726  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        3.463   0.687   0.682  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        4.615   0.737   1.486  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        5.889   0.740   0.917  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        6.028   0.693  -0.464  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.187   0.683   1.267  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.022   0.631   0.487  0.00  0.00    -0.023 A 
ATOM     11  C   LIG    1        4.893   0.642  -1.274  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.160   0.576  -0.911  0.00  0.00    +0.051 A 
BRANCH   3  14
ATOM     13  C   LIG    1        1.467   0.461  -3.715  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        2.616   0.528  -2.882  0.00  0.00    -0.494 OA
ENDBRANCH   3  14
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  N   LIG    1       -0.959  -0.754   1.219  0.00  0.00    -0.289 N 
ATOM     16  C   LIG    1       -2.355  -0.957   1.278  0.00  0.00    +0.246 C 
ATOM     17  O   LIG    1       -2.845  -1.929   1.861  0.00  0.00    -0.273 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -3.264   0.038   0.519  0.00  0.00    +0.217 C 
ATOM     19  O   LIG    1       -4.627  -0.053   0.973  0.00  0.00    -0.365 OA
ATOM     20  C   LIG    1       -5.595   0.098  -0.070  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1       -5.141   1.087  -1.153  0.00  0.00    +0.109 C 
ATOM     22  N   LIG    1       -3.898   0.680  -1.835  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -4.130   0.208  -2.710  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -3.128  -0.256  -0.990  0.00  0.00    +0.122 C 
ENDBRANCH  16  18
BRANCH  15  25
ATOM     25  C   LIG    1       -0.119  -1.765   1.855  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1       -0.247  -3.232   1.510  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        0.976  -2.482   1.102  0.00  0.00    +0.024 C 
ENDBRANCH  15  25
ENDBRANCH   1  15
TORSDOF 5