REMARK  Name = BDB006829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876  -0.172   0.344  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.344  -1.367  -0.136  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        0.989  -1.575  -0.545  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.160  -2.895  -0.965  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        2.384  -3.354  -1.423  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.454  -2.458  -1.459  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        3.306  -1.118  -1.037  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -0.098  -3.685  -0.817  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        2.051  -0.683  -0.572  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -1.094  -2.616  -0.354  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -0.219   0.861   0.484  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  12
ATOM     12  N   LIG    1        4.427  -0.239  -1.089  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1        4.776   0.093  -2.475  0.00  0.00    +0.135 C 
BRANCH  12  14
ATOM     14  C   LIG    1        4.749   0.710  -0.086  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        4.544   0.385   1.270  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        4.860   1.276   2.300  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        5.400   2.520   2.000  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.626   2.867   0.673  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.308   1.970  -0.356  0.00  0.00    +0.023 A 
ENDBRANCH  12  14
ENDBRANCH   7  12
BRANCH   1  20
ATOM     20  C   LIG    1       -2.381  -0.244   0.705  0.00  0.00    +0.181 C 
BRANCH  20  27
ATOM     21  C   LIG    1       -6.765   0.703   1.370  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -5.388   0.409   0.773  0.00  0.00    +0.065 C 
ATOM     23  N   LIG    1       -5.294   0.921  -0.609  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -6.220   1.105  -0.989  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.483   2.143  -0.666  0.00  0.00    +0.096 C 
ATOM     26  C   LIG    1       -3.057   1.969  -0.083  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1       -2.944   1.070   1.091  0.00  0.00    -0.291 NA
ATOM     28  C   LIG    1       -4.265   0.917   1.726  0.00  0.00    +0.103 C 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 4