REMARK  Name = BDB022056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.353  -1.551   0.660  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -1.125  -1.334   0.048  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -0.117  -2.390   0.150  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.811  -2.381  -1.058  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        1.574  -1.051  -1.172  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        0.768   0.133  -0.612  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -0.738  -0.106  -0.646  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -2.583  -2.529   1.368  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.931  -1.121  -0.463  0.00  0.00    +0.220 C 
ATOM     10  N   LIG    1        3.752  -0.056  -0.802  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        3.394   0.595  -1.489  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        3.204  -2.023   0.320  0.00  0.00    -0.275 OA
BRANCH  10  13
ATOM     13  C   LIG    1        5.051   0.219  -0.322  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        5.689   1.356  -0.841  0.00  0.00    +0.072 A 
ATOM     15  C   LIG    1        6.959   1.657  -0.392  0.00  0.00    +0.168 A 
ATOM     16  O   LIG    1        7.711   2.717  -0.792  0.00  0.00    -0.453 OA
ATOM     17  C   LIG    1        8.904   2.515  -0.004  0.00  0.00    +0.466 C 
ATOM     18  O   LIG    1        8.840   1.350   0.844  0.00  0.00    -0.453 OA
ATOM     19  C   LIG    1        7.602   0.880   0.539  0.00  0.00    +0.166 A 
ATOM     20  C   LIG    1        7.009  -0.241   1.071  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1        5.718  -0.571   0.633  0.00  0.00    +0.027 A 
ENDBRANCH  10  13
ENDBRANCH   5   9
BRANCH   1  23
ATOM     22  C   LIG    1       -4.483  -0.484   1.218  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -3.418  -0.545   0.404  0.00  0.00    +0.068 C 
BRANCH  22  26
ATOM     24  C   LIG    1       -7.253  -1.474   0.886  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -6.915  -0.007   0.844  0.00  0.00    -0.043 A 
ATOM     26  C   LIG    1       -5.592   0.452   0.995  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1       -5.332   1.832   0.960  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -6.367   2.747   0.768  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.673   2.295   0.614  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.947   0.927   0.655  0.00  0.00    +0.004 A 
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 4