REMARK  Name = BDB047027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.499   2.198   0.585  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.121   1.700   0.458  0.00  0.00    -0.066 C 
ATOM      3  C   LIG    1       -0.942   1.927   0.516  0.00  0.00    -0.097 C 
BRANCH   2   7
ATOM      4  C   LIG    1       -6.271   0.876   0.233  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -5.419   0.528  -0.824  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -4.051   0.800  -0.749  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.522   1.424   0.382  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -4.363   1.776   1.438  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -5.732   1.504   1.365  0.00  0.00    +0.005 A 
BRANCH   4  10
ATOM     10  C   LIG    1       -7.748   0.570   0.158  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -8.098  -0.913   0.353  0.00  0.00    +0.230 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -9.869  -2.428  -0.124  0.00  0.00    +0.195 C 
ATOM     13  O   LIG    1       -9.467  -1.066  -0.046  0.00  0.00    -0.368 OA
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -7.855  -1.293   1.817  0.00  0.00    +0.334 C 
ATOM     15  O   LIG    1       -8.627  -1.161   2.753  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.639  -1.845   2.020  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -6.612  -2.017   2.984  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        1.278   1.469  -0.507  0.00  0.00    +0.054 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.263  -0.050  -0.334  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.053  -0.674  -1.348  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.380  -0.895  -1.110  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        4.110  -0.449  -0.007  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.473  -0.745   0.102  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        6.114  -1.473  -0.902  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        5.389  -1.937  -1.996  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        4.029  -1.638  -2.102  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.442  -1.825  -0.836  0.00  0.00    -0.456 OA
BRANCH  27  28
ATOM     28  C   LIG    1        8.341  -0.837  -0.501  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        9.312  -1.158   0.448  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       10.272  -0.212   0.807  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       10.269   1.048   0.206  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.311   1.360  -0.759  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        8.349   0.416  -1.120  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 13