REMARK  Name = BDB002804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.577  -0.914  -1.859  0.00  0.00    -0.203 N 
ATOM      2  H   LIG    1        1.516  -1.280  -1.978  0.00  0.00    +0.178 HD
ATOM      3  C   LIG    1        0.486   0.442  -1.560  0.00  0.00    +0.264 C 
ATOM      4  O   LIG    1       -0.483   1.166  -1.768  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.759   1.008  -1.023  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        2.563   0.431   0.070  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        3.789   1.040   0.383  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        4.609   0.541   1.397  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        4.202  -0.573   2.127  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.976  -1.174   1.850  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1        4.192   2.184  -0.317  0.00  0.00    -0.322 N 
ATOM     12  H   LIG    1        5.063   2.645  -0.089  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        3.446   2.778  -1.293  0.00  0.00    +0.250 A 
ATOM     14  O   LIG    1        3.815   3.796  -1.868  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        2.158  -0.672   0.833  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        2.170   2.125  -1.647  0.00  0.00    +0.083 A 
ENDBRANCH   3   5
BRANCH   1  18
ATOM     17  C   LIG    1       -1.575  -1.609  -2.269  0.00  0.00    +0.142 C 
ATOM     18  N   LIG    1       -0.340  -1.524  -2.674  0.00  0.00    -0.187 NA
BRANCH  17  21
ATOM     19  C   LIG    1       -3.806  -0.032   0.297  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -3.188  -0.351  -0.913  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1       -2.150  -1.287  -0.951  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -1.759  -1.946   0.216  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -2.372  -1.630   1.427  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -3.392  -0.671   1.468  0.00  0.00    +0.049 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.371   1.364   1.420  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.799   0.903   0.203  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
BRANCH  22  27
ATOM     27  O   LIG    1       -0.806  -2.924   0.177  0.00  0.00    -0.506 OA
ATOM     28  H   LIG    1       -0.789  -3.387   1.030  0.00  0.00    +0.292 HD
ENDBRANCH  22  27
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 5