REMARK  Name = BDB055591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.598   1.121   0.978  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.827   0.005   0.177  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.151  -0.425  -0.729  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.378   0.244  -0.846  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.596   1.366  -0.036  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.620   1.795   0.868  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.402  -0.219  -1.801  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -3.648  -0.759  -1.390  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -4.572  -1.160  -2.377  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.283  -1.039  -3.736  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.063  -0.513  -4.138  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.133  -0.108  -3.181  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.016  -0.933   0.028  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -3.355  -1.870   0.838  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.708  -2.033   2.180  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.731  -1.264   2.730  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.403  -0.334   1.940  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.049  -0.171   0.599  0.00  0.00    +0.008 A 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  O   LIG    1        1.452   1.649   1.904  0.00  0.00    -0.477 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.801   1.147   1.974  0.00  0.00    +0.285 C 
BRANCH  20  22
ATOM     21  O   LIG    1        4.450   1.279   3.768  0.00  0.00    -0.247 OA
ATOM     22  C   LIG    1        3.307   1.474   3.381  0.00  0.00    +0.346 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.351   1.994   4.192  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1        1.506   2.071   3.693  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH  20  22
BRANCH  20  25
ATOM     25  C   LIG    1        3.692   1.857   0.940  0.00  0.00    +0.091 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.429   0.882   0.050  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1        4.057   0.718  -1.291  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.729  -0.196  -2.104  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.780  -0.951  -1.586  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.162  -0.790  -0.256  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.492   0.123   0.560  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8