REMARK  Name = BDB001241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.764   1.670  -1.169  0.00  0.00    -0.477 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.452   1.192  -0.765  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        0.862   1.390   0.549  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.112   0.918   0.959  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.969   0.259   0.059  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.537   0.098  -1.269  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.289   0.569  -1.684  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        4.285  -0.239   0.493  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        5.204   0.607   1.137  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        6.453   0.134   1.549  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.805  -1.194   1.325  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.909  -2.050   0.688  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.661  -1.575   0.276  0.00  0.00    +0.008 A 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -1.796   0.686  -0.985  0.00  0.00    +0.285 C 
BRANCH  14  16
ATOM     15  O   LIG    1       -1.651   0.215  -3.388  0.00  0.00    -0.247 OA
ATOM     16  C   LIG    1       -2.036  -0.114  -2.274  0.00  0.00    +0.346 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.724  -1.269  -2.086  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -3.017  -1.430  -1.167  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH  14  16
BRANCH  14  19
ATOM     19  C   LIG    1       -3.068   1.459  -0.607  0.00  0.00    +0.091 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.115   0.595   0.055  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -3.940   0.154   1.374  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -4.887  -0.678   1.972  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.016  -1.076   1.258  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.202  -0.637  -0.051  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.258   0.197  -0.651  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 7