REMARK  Name = BDB061288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.268   2.309   3.469  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        3.698   1.584   2.660  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1        2.612   0.686   3.074  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        1.999  -0.113   2.106  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1        0.953  -0.987   2.460  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.561  -1.037   3.809  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        1.171  -0.239   4.777  0.00  0.00    +0.092 A 
ATOM      8  O   LIG    1        2.385  -0.078   0.785  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1        3.421   0.758   0.407  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        2.196   0.623   4.406  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1        4.076   1.575   1.243  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        3.747   0.704  -1.030  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        5.075   0.605  -1.476  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.367   0.543  -2.843  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        4.329   0.574  -3.767  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        3.008   0.664  -3.347  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        2.717   0.726  -1.983  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1        4.567   0.516  -5.107  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        5.525   0.454  -5.252  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   6  20
ATOM     20  O   LIG    1       -0.427  -1.905   4.182  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -0.702  -1.703   5.092  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
BRANCH  10  22
ATOM     22  O   LIG    1        2.755   1.378   5.402  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        3.459   1.939   5.005  0.00  0.00    +0.292 HD
ENDBRANCH  10  22
BRANCH   5  24
ATOM     24  C   LIG    1        0.254  -1.843   1.421  0.00  0.00    +0.127 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -1.046  -1.302   0.989  0.00  0.00    -0.294 NA
ATOM     26  C   LIG    1       -0.914  -0.134   0.110  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1       -2.292   0.477  -0.201  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -3.301  -0.562  -0.626  0.00  0.00    -0.042 C 
ATOM     29  C   LIG    1       -3.063  -1.862  -0.374  0.00  0.00    -0.008 C 
ATOM     30  C   LIG    1       -1.826  -2.357   0.324  0.00  0.00    +0.112 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -4.534  -0.110  -1.302  0.00  0.00    -0.022 A 
ATOM     32  C   LIG    1       -5.024  -0.779  -2.434  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1       -6.181  -0.339  -3.084  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.862   0.780  -2.612  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -6.387   1.459  -1.493  0.00  0.00    +0.001 A 
ATOM     36  C   LIG    1       -5.230   1.018  -0.845  0.00  0.00    +0.008 A 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7