REMARK  Name = BDB054415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.126  -0.117   0.686  0.00  0.00    +0.409 C 
ATOM      2  N   LIG    1        1.099  -0.663   1.054  0.00  0.00    -0.252 N 
ATOM      3  O   LIG    1       -0.406   1.065   0.851  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1   4
ATOM      4  O   LIG    1       -0.994  -1.075   0.175  0.00  0.00    -0.411 OA
BRANCH   4   8
ATOM      5  C   LIG    1       -4.821   0.126  -1.020  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1       -4.646  -0.815   0.001  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -3.366  -1.200   0.403  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -2.261  -0.627  -0.217  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1       -2.414   0.293  -1.252  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -3.700   0.676  -1.648  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -6.361   1.388  -2.319  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -6.126   0.412  -1.312  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
ENDBRANCH   4   8
ENDBRANCH   1   4
BRANCH   2  13
ATOM     13  C   LIG    1        2.148   0.218   1.565  0.00  0.00    +0.146 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.127   0.636   0.493  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        2.753   1.570  -0.485  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.651   1.948  -1.484  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.925   1.397  -1.509  0.00  0.00    +0.117 A 
ATOM     18  C   LIG    1        5.320   0.472  -0.548  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        4.421   0.094   0.452  0.00  0.00    +0.009 A 
BRANCH  17  20
ATOM     20  O   LIG    1        5.769   1.794  -2.503  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        6.620   1.340  -2.390  0.00  0.00    +0.292 HD
ENDBRANCH  17  20
ENDBRANCH  13  14
ENDBRANCH   2  13
BRANCH   2  22
ATOM     22  C   LIG    1        1.450  -2.063   0.761  0.00  0.00    +0.231 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.117  -3.011   1.910  0.00  0.00    +0.322 C 
ATOM     24  O   LIG    1        1.357  -4.209   1.886  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1        0.537  -2.413   2.977  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1        0.403  -1.458   2.821  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 9