REMARK  Name = BDB057986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.865  -1.331  -0.643  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1       -2.141  -0.762  -0.678  0.00  0.00    -0.231 N 
ATOM      3  N   LIG    1       -3.029  -1.600  -1.286  0.00  0.00    -0.159 NA
ATOM      4  C   LIG    1       -2.369  -2.746  -1.505  0.00  0.00    +0.170 A 
ATOM      5  C   LIG    1       -1.020  -2.622  -1.111  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        2.835   0.518   0.428  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.356  -0.571   1.157  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.141  -1.173   0.805  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.390  -0.685  -0.271  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.882   0.396  -1.010  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        2.094   0.994  -0.655  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1        3.999   1.196   0.665  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1        6.037   1.630   1.820  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        4.806   0.743   1.750  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  C   LIG    1       -2.620   0.491  -0.178  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1       -1.888   1.273   0.724  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -2.402   2.491   1.184  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.652   2.934   0.761  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.400   2.156  -0.118  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.892   0.940  -0.581  0.00  0.00    +0.028 A 
ENDBRANCH   2  15
BRANCH   4  21
ATOM     21  C   LIG    1       -2.989  -3.932  -2.099  0.00  0.00    +0.357 C 
ATOM     22  O   LIG    1       -2.411  -4.990  -2.316  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -4.301  -3.809  -2.416  0.00  0.00    -0.476 OA
ATOM     24  H   LIG    1       -4.531  -4.681  -2.790  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 6