REMARK  Name = BDB045143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.854  -1.723  -0.495  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.225  -3.720  -1.475  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.489  -3.199  -0.632  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.036  -3.964   0.340  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -0.703  -4.866   0.142  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -0.120  -0.953  -1.463  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.019  -0.412  -0.936  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.245  -0.915  -1.365  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        3.430  -0.364  -0.876  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.377   0.702   0.028  0.00  0.00    -0.004 A 
ATOM     11  C   LIG    1        2.144   1.221   0.437  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        0.960   0.667  -0.054  0.00  0.00    +0.046 A 
BRANCH  10  13
ATOM     13  C   LIG    1        4.643   1.269   0.530  0.00  0.00    +0.160 C 
ATOM     14  N   LIG    1        4.673   2.249   1.377  0.00  0.00    -0.095 NA
BRANCH  14  15
ATOM     15  O   LIG    1        6.008   2.560   1.661  0.00  0.00    -0.409 OA
ATOM     16  H   LIG    1        5.921   3.300   2.290  0.00  0.00    +0.328 HD
ENDBRANCH  14  15
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1       -2.351  -1.553  -0.784  0.00  0.00    +0.091 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.870  -0.214  -0.308  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -2.840   0.902  -1.155  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.290   2.143  -0.705  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.772   2.281   0.596  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.803   1.178   1.447  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.352  -0.065   0.999  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8