REMARK  Name = BDB055606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.781  -0.720  -1.095  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.961   0.076  -1.904  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.425  -0.098  -1.898  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.020  -1.068  -1.086  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        0.211  -1.871  -0.284  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.179  -1.697  -0.291  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.906   0.336  -0.206  0.00  0.00    -0.037 A 
ATOM      8  C   LIG    1       -3.238  -0.541  -1.095  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -3.997  -1.280  -2.024  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.385  -1.164  -2.083  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.042  -0.306  -1.211  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.310   0.436  -0.283  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.341   2.671   0.584  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -3.153   1.171   0.827  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -3.556   0.793   2.256  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  O   LIG    1        2.382  -1.117  -1.177  0.00  0.00    -0.477 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.113  -1.983  -0.295  0.00  0.00    +0.285 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.476  -2.258  -0.931  0.00  0.00    +0.346 C 
ATOM     19  O   LIG    1        5.308  -3.024  -0.464  0.00  0.00    -0.247 OA
BRANCH  18  20
ATOM     20  O   LIG    1        4.684  -1.573  -2.082  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1        3.909  -0.995  -2.259  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
BRANCH  17  22
ATOM     22  C   LIG    1        3.300  -1.378   1.105  0.00  0.00    +0.091 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.956  -0.014   1.114  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        5.349   0.106   1.207  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.953   1.364   1.193  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.172   2.513   1.088  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.786   2.406   0.997  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.180   1.149   1.009  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8