REMARK  Name = BDB064746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.229   1.118   0.967  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -1.173   0.179   0.523  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.558   0.370   0.712  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -2.969   1.537   1.376  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -2.042   2.474   1.839  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.678   2.259   1.639  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.507  -0.646   0.218  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -4.404  -1.287   1.087  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.289  -2.264   0.621  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.290  -2.617  -0.726  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.409  -1.994  -1.607  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.525  -1.018  -1.138  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     13  C   LIG    1        1.773   0.383  -0.300  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        1.217   0.913   0.801  0.00  0.00    +0.008 C 
BRANCH  13  17
ATOM     15  C   LIG    1        5.022  -1.202  -1.317  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        3.661  -0.986  -1.119  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1        3.218   0.173  -0.467  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        4.164   1.119  -0.046  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        5.523   0.883  -0.256  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        5.963  -0.274  -0.886  0.00  0.00    +0.090 A 
BRANCH  15  21
ATOM     21  O   LIG    1        5.397  -2.351  -1.949  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1        6.367  -2.367  -2.010  0.00  0.00    +0.292 HD
ENDBRANCH  15  21
BRANCH  19  23
ATOM     23  O   LIG    1        6.469   1.782   0.145  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1        6.023   2.541   0.557  0.00  0.00    +0.292 HD
ENDBRANCH  19  23
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  25
ATOM     25  O   LIG    1       -4.305   1.770   1.570  0.00  0.00    -0.506 OA
ATOM     26  H   LIG    1       -4.421   2.646   1.972  0.00  0.00    +0.292 HD
ENDBRANCH   4  25
TORSDOF 6