REMARK  Name = BDB051416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.610   1.192   1.310  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.892   0.015   1.519  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.464  -0.047   1.198  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.123   1.076   0.684  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -0.399   2.260   0.494  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.960   2.322   0.815  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.926   1.164   1.688  0.00  0.00    -0.477 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.836   1.863   0.817  0.00  0.00    +0.285 C 
BRANCH   8  10
ATOM      9  O   LIG    1        4.975   4.009   0.965  0.00  0.00    -0.247 OA
ATOM     10  C   LIG    1        4.264   3.164   1.491  0.00  0.00    +0.346 C 
BRANCH  10  11
ATOM     11  O   LIG    1        3.790   3.303   2.754  0.00  0.00    -0.478 OA
ATOM     12  H   LIG    1        3.235   2.528   2.994  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
BRANCH   8  13
ATOM     13  C   LIG    1        5.086   0.997   0.619  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.833  -0.157  -0.325  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1        4.407  -1.399   0.165  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.150  -2.454  -0.711  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.314  -2.277  -2.083  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.736  -1.046  -2.581  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.992   0.011  -1.707  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1       -2.585   1.002   0.318  0.00  0.00    +0.035 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.778   0.525  -1.125  0.00  0.00    +0.009 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.248   0.509  -1.554  0.00  0.00    +0.035 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.083  -0.511  -0.820  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -4.915  -1.880  -1.070  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -5.681  -2.825  -0.384  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.622  -2.410   0.556  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.798  -1.052   0.811  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.034  -0.106   0.126  0.00  0.00    +0.003 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 10