REMARK  Name = BDB064744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.832  -0.444   1.034  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -1.667  -0.105  -0.042  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -3.060   0.009   0.118  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -3.606  -0.229   1.390  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -2.788  -0.584   2.465  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.408  -0.696   2.283  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.867   0.374  -1.039  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -5.109  -0.152  -1.332  0.00  0.00    +0.203 A 
ATOM      9  O   LIG    1       -5.593   0.361  -2.493  0.00  0.00    -0.470 OA
ATOM     10  C   LIG    1       -4.658   1.224  -2.960  0.00  0.00    +0.195 A 
ATOM     11  C   LIG    1       -3.576   1.265  -2.112  0.00  0.00    +0.049 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  C   LIG    1        1.379   0.222   0.133  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1        0.621  -0.599   0.878  0.00  0.00    +0.008 C 
BRANCH  12  16
ATOM     14  C   LIG    1        5.049  -0.380   0.830  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        3.673  -0.278   1.035  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        2.832   0.069  -0.032  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        3.399   0.332  -1.286  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1        4.776   0.223  -1.470  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        5.610  -0.136  -0.418  0.00  0.00    +0.090 A 
BRANCH  14  20
ATOM     20  O   LIG    1        5.895  -0.718   1.847  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        5.373  -0.848   2.656  0.00  0.00    +0.292 HD
ENDBRANCH  14  20
BRANCH  18  22
ATOM     22  O   LIG    1        5.272   0.482  -2.713  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1        6.237   0.361  -2.691  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   4  24
ATOM     24  O   LIG    1       -4.953  -0.104   1.600  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1       -5.144  -0.225   2.544  0.00  0.00    +0.292 HD
ENDBRANCH   4  24
TORSDOF 6