REMARK  Name = BDB046453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.612   0.866  -0.680  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.944   1.610   0.301  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.549   1.572   0.403  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.803   0.788  -0.477  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.466   0.047  -1.457  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.859   0.083  -1.562  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -5.120   0.895  -0.768  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.776   0.027   0.316  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.492   0.919   1.334  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -5.954   1.782   2.012  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -7.820   0.645   1.410  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -8.010  -0.074   0.761  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -6.790  -0.828  -0.267  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.195  -3.100   0.336  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -6.268  -2.062  -0.769  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.558   0.658  -0.488  0.00  0.00    -0.488 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.288   1.393   0.492  0.00  0.00    +0.257 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.742   1.119   0.265  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        3.568   0.613   1.191  0.00  0.00    +0.059 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.941   0.380   0.909  0.00  0.00    -0.069 C 
ATOM     21  C   LIG    1        6.102   0.180   0.675  0.00  0.00    -0.062 C 
BRANCH  21  22
ATOM     22  C   LIG    1        7.484  -0.058   0.393  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        8.459   0.815   0.881  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        9.808   0.581   0.606  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       10.182  -0.524  -0.158  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        9.210  -1.397  -0.647  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        7.861  -1.164  -0.372  0.00  0.00    +0.017 A 
ENDBRANCH  21  22
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11