REMARK  Name = BDB046455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.935  -0.126  -0.792  0.00  0.00    -0.488 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.915   1.033  -1.322  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -3.924   1.659  -2.089  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.578   1.301  -1.947  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.207   0.316  -1.032  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.193  -0.306  -0.264  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.536   0.047  -0.405  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -6.367   1.437  -1.462  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.790   2.456  -0.392  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -8.101   3.127  -0.813  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -8.626   3.097  -1.915  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -8.666   3.860   0.172  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -9.492   4.201  -0.231  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -6.953   1.761   0.852  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -6.651   1.667   3.214  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -6.400   2.473   1.956  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        0.116   0.472  -1.549  0.00  0.00    +0.257 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.393  -0.205  -1.149  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1        2.488   0.350  -0.592  0.00  0.00    -0.044 C 
ATOM     20  C   LIG    1        2.633   1.802  -0.226  0.00  0.00    +0.044 C 
BRANCH  19  21
ATOM     21  C   LIG    1        3.661  -0.508  -0.306  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1        3.527  -1.685   0.442  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.641  -2.486   0.722  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        5.920  -2.134   0.265  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        6.047  -0.952  -0.480  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        4.935  -0.148  -0.759  0.00  0.00    +0.009 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.090  -2.977   0.559  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        7.929  -3.436  -0.471  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        9.040  -4.237  -0.193  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.333  -4.591   1.122  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.515  -4.146   2.158  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.404  -3.346   1.878  0.00  0.00    +0.008 A 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11