REMARK  Name = BDB061276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.129   2.683  -2.376  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -4.308   1.940  -1.855  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1       -2.868   1.896  -2.206  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -2.064   0.948  -1.561  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1       -0.684   0.853  -1.835  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.135   1.730  -2.778  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -0.923   2.677  -3.432  0.00  0.00    +0.092 A 
ATOM      8  O   LIG    1       -2.568   0.059  -0.640  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1       -3.895   0.146  -0.269  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -2.288   2.759  -3.143  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -4.761   1.016  -0.801  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -4.279  -0.798   0.799  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -3.383  -1.068   1.846  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.718  -1.968   2.861  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.948  -2.609   2.832  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -5.851  -2.369   1.802  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.514  -1.467   0.787  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -5.235  -3.480   3.840  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -6.125  -3.841   3.696  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   6  20
ATOM     20  O   LIG    1        1.202   1.656  -3.054  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        1.429   2.299  -3.747  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
BRANCH  10  22
ATOM     22  O   LIG    1       -3.039   3.698  -3.790  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -2.495   4.222  -4.397  0.00  0.00    +0.292 HD
ENDBRANCH  10  22
BRANCH   5  24
ATOM     24  C   LIG    1        0.175  -0.171  -1.115  0.00  0.00    +0.127 C 
BRANCH  24  25
ATOM     25  N   LIG    1        0.380   0.148   0.310  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        0.925  -1.017   1.044  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        2.394  -1.376   0.714  0.00  0.00    +0.120 C 
ATOM     28  N   LIG    1        3.275  -0.206   0.896  0.00  0.00    -0.327 N 
ATOM     29  C   LIG    1        2.798   1.003   0.182  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1        1.310   1.285   0.506  0.00  0.00    +0.103 C 
BRANCH  28  31
ATOM     31  C   LIG    1        4.664  -0.405   0.822  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1        5.537   0.587   1.303  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1        6.927   0.434   1.261  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        7.481  -0.729   0.740  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        6.644  -1.736   0.273  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1        5.253  -1.576   0.320  0.00  0.00    +0.023 A 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7