REMARK  Name = BDB050829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.670  -1.536  -0.772  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.044  -0.233  -0.386  0.00  0.00    +0.152 C 
ATOM      3  C   LIG    1        0.172  -0.113   1.092  0.00  0.00    +0.008 C 
ATOM      4  C   LIG    1        0.914  -1.079   1.636  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1        1.284  -1.972   0.532  0.00  0.00    +0.162 C 
ATOM      6  O   LIG    1        2.006  -2.945   0.693  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.674  -1.431  -1.927  0.00  0.00    +0.014 C 
BRANCH   7   8
ATOM      8  C   LIG    1        3.040  -0.775  -1.669  0.00  0.00    +0.001 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.999   0.732  -1.419  0.00  0.00    +0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.362   1.411  -1.586  0.00  0.00    -0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.500   0.915  -0.687  0.00  0.00    -0.000 C 
BRANCH  11  13
ATOM     12  C   LIG    1        4.678   0.190   1.621  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        5.353   1.272   0.795  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  O   LIG    1       -1.444  -0.386  -0.624  0.00  0.00    -0.372 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.114   0.856  -0.839  0.00  0.00    +0.160 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.609   0.597  -0.992  0.00  0.00    +0.028 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.226   0.017   0.285  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.735  -0.192   0.126  0.00  0.00    +0.011 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -6.378  -0.785   1.379  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -6.482   0.203   2.510  0.00  0.00    +0.305 C 
ATOM     21  O   LIG    1       -6.259   1.400   2.477  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -6.895  -0.385   3.651  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1       -6.935   0.351   4.297  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 14