REMARK  Name = BDB049473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.462  -1.423   2.200  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.938  -1.185   1.858  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        3.178  -0.083   0.818  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1        3.392  -0.632  -0.593  0.00  0.00    +0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1        3.441   0.442  -1.685  0.00  0.00    +0.001 C 
BRANCH   5   6
ATOM      6  C   LIG    1        4.614   1.421  -1.572  0.00  0.00    +0.011 C 
BRANCH   6   7
ATOM      7  C   LIG    1        4.240   2.727  -0.869  0.00  0.00    +0.120 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.412   3.680  -0.791  0.00  0.00    +0.305 C 
ATOM      9  O   LIG    1        6.539   3.454  -1.201  0.00  0.00    -0.251 OA
BRANCH   8  10
ATOM     10  O   LIG    1        5.081   4.851  -0.197  0.00  0.00    -0.481 OA
ATOM     11  H   LIG    1        4.148   4.897   0.085  0.00  0.00    +0.295 HD
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1        0.628  -1.946   1.031  0.00  0.00    -0.000 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.782  -2.389   1.436  0.00  0.00    -0.000 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.660  -1.233   1.923  0.00  0.00    -0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.086  -1.660   2.286  0.00  0.00    -0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.914  -2.266   1.148  0.00  0.00    -0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.035  -1.409  -0.116  0.00  0.00    -0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.690  -0.048   0.136  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.002   0.721  -1.152  0.00  0.00    -0.000 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.754   1.916  -1.345  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -3.798   1.052  -2.036  0.00  0.00    -0.003 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 17