REMARK  Name = BDB063567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.260  -2.949  -2.331  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        0.303  -1.856  -1.481  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -0.505  -0.966  -0.627  0.00  0.00    +0.062 C 
ATOM      4  C   LIG    1       -1.840  -1.034  -0.531  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1        0.492  -0.059  -0.000  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        0.266   0.851   0.776  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        1.710  -0.519  -0.537  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        1.578  -1.591  -1.416  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -2.726  -0.247   0.263  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.037   0.186  -0.113  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -4.561   0.894   0.971  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -5.835   1.474   0.954  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -6.600   1.325  -0.206  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -6.108   0.627  -1.306  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1       -3.607   0.883   1.961  0.00  0.00    -0.360 N 
ATOM     16  H   LIG    1       -3.708   1.330   2.862  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -4.830   0.054  -1.273  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -2.509   0.171   1.556  0.00  0.00    +0.091 A 
ENDBRANCH   4   9
BRANCH   7  19
ATOM     19  C   LIG    1        3.013  -0.014  -0.290  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        3.241   1.071   0.568  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.538   1.550   0.798  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        5.630   0.938   0.181  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.425  -0.131  -0.694  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        4.126  -0.602  -0.920  0.00  0.00    +0.026 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.986   1.468   0.449  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        7.233   2.656   0.539  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        7.904   0.494   0.626  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        7.531  -0.405   0.697  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH   7  19
TORSDOF 4