REMARK  Name = BDB002856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.959   0.022  -0.842  0.00  0.00    -0.283 N 
ATOM      2  H   LIG    1       -1.534  -0.676  -0.237  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.043   0.748  -1.573  0.00  0.00    +0.231 C 
ATOM      4  O   LIG    1       -1.248   1.714  -2.299  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.023   2.031  -2.468  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1       -4.197   1.027  -1.386  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.328   0.185  -0.716  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -4.111  -0.585   0.213  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -5.435  -0.173   0.088  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -6.478  -0.713   0.849  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -6.156  -1.711   1.773  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.843  -2.147   1.927  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.813  -1.594   1.156  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1       -5.457   0.802  -0.877  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1       -6.293   1.282  -1.178  0.00  0.00    +0.166 HD
ENDBRANCH   1   7
BRANCH   3  16
ATOM     16  C   LIG    1        0.376   0.171  -1.435  0.00  0.00    +0.180 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.578  -0.478  -0.113  0.00  0.00    -0.291 NA
ATOM     18  C   LIG    1        1.780  -1.339  -0.124  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1        3.127  -0.593  -0.193  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1        3.233   0.474   0.805  0.00  0.00    -0.293 N 
ATOM     21  C   LIG    1        4.426   0.894   1.412  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        4.408   1.766   2.282  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        2.047   1.319   0.971  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        0.730   0.519   0.978  0.00  0.00    +0.104 C 
BRANCH  21  25
ATOM     25  C   LIG    1        5.674   0.285   0.986  0.00  0.00    +0.189 A 
ATOM     26  O   LIG    1        6.564  -0.100   1.956  0.00  0.00    -0.458 OA
ATOM     27  C   LIG    1        7.655  -0.610   1.331  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1        7.500  -0.551  -0.033  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        6.231   0.036  -0.258  0.00  0.00    +0.054 A 
ENDBRANCH  21  25
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4