REMARK  Name = BDB045119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.012  -0.738   0.968  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        2.792  -0.217  -0.305  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.519   0.258  -0.660  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1        1.261   0.821  -2.040  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -0.099   0.332  -2.534  0.00  0.00    +0.116 C 
ATOM      6  N   LIG    1       -1.168   0.543  -1.570  0.00  0.00    -0.261 N 
ATOM      7  C   LIG    1       -0.882   0.842  -0.174  0.00  0.00    +0.189 C 
ATOM      8  C   LIG    1       -2.148   0.430   0.521  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.014  -0.159  -0.398  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -4.269  -0.633  -0.061  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -4.678  -0.479   1.263  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.841   0.153   2.199  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.574   0.622   1.828  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.371  -0.135  -1.713  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1       -2.822  -0.653  -2.716  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        0.446   0.239   0.266  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        0.690  -0.286   1.540  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.957  -0.773   1.880  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1        5.303  -1.220   0.553  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.193  -1.240   1.441  0.00  0.00    -0.495 OA
ENDBRANCH   1  20
BRANCH   7  21
ATOM     21  O   LIG    1       -0.787   2.252  -0.094  0.00  0.00    -0.364 OA
ATOM     22  H   LIG    1       -1.165   2.544  -0.939  0.00  0.00    +0.213 HD
ENDBRANCH   7  21
TORSDOF 2