REMARK  Name = BDB064757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.046  -1.077  -0.106  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1        0.106  -2.455   0.147  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        1.326  -3.081   0.401  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.506  -2.333   0.396  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.486  -0.955   0.136  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.244  -0.345  -0.119  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.729  -0.168   0.131  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.880   0.947   0.974  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        5.063   1.683   0.962  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1        6.111   1.336   0.120  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        5.980   0.235  -0.722  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.798  -0.511  -0.715  0.00  0.00    +0.009 A 
BRANCH   9  13
ATOM     13  O   LIG    1        5.234   2.766   1.774  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1        4.436   2.877   2.317  0.00  0.00    +0.292 HD
ENDBRANCH   9  13
ENDBRANCH   5   7
BRANCH   1  16
ATOM     15  C   LIG    1       -2.297  -0.427   0.358  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -1.198  -0.352  -0.409  0.00  0.00    +0.012 C 
BRANCH  15  19
ATOM     17  C   LIG    1       -5.966   0.296   0.035  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -4.765  -0.370   0.276  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1       -3.546   0.290   0.069  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -3.555   1.627  -0.357  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -4.768   2.273  -0.589  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -5.976   1.615  -0.397  0.00  0.00    +0.090 A 
BRANCH  17  23
ATOM     23  O   LIG    1       -7.168  -0.324   0.218  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1       -7.007  -1.240   0.497  0.00  0.00    +0.292 HD
ENDBRANCH  17  23
BRANCH  21  25
ATOM     25  O   LIG    1       -4.810   3.572  -1.006  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -3.901   3.899  -1.101  0.00  0.00    +0.292 HD
ENDBRANCH  21  25
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   2  27
ATOM     27  O   LIG    1       -1.040  -3.204   0.132  0.00  0.00    -0.506 OA
ATOM     28  H   LIG    1       -0.808  -4.139   0.244  0.00  0.00    +0.292 HD
ENDBRANCH   2  27
TORSDOF 7