REMARK  Name = BDB051908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.268   1.325  -0.577  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.657   0.177   0.146  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -3.008  -0.274   0.586  0.00  0.00    +0.039 C 
ATOM      4  C   LIG    1       -2.909  -1.464   1.554  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -1.871  -2.495   1.083  0.00  0.00    +0.006 C 
ATOM      6  C   LIG    1       -0.455  -1.892   0.995  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1       -0.498  -0.553   0.340  0.00  0.00    +0.049 A 
ATOM      8  N   LIG    1        0.541   0.192  -0.195  0.00  0.00    -0.236 N 
ATOM      9  N   LIG    1        0.053   1.313  -0.804  0.00  0.00    -0.163 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.954  -0.031  -0.200  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        2.764   0.787  -1.010  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.150   0.610  -1.051  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        4.747  -0.380  -0.279  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.960  -1.186   0.539  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        2.571  -1.013   0.583  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  C   LIG    1       -1.468   3.543  -1.822  0.00  0.00    +0.093 C 
ATOM     17  C   LIG    1       -2.126   2.412  -1.070  0.00  0.00    +0.180 C 
ATOM     18  O   LIG    1       -3.345   2.414  -0.886  0.00  0.00    -0.291 OA
ENDBRANCH   1  17
TORSDOF 2