REMARK  Name = BDB062205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.568   0.801  -0.188  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -1.016   2.006   0.243  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.972   2.316   0.251  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.043   2.786   0.570  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.049   3.932   0.971  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.194   1.882   0.299  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.460   2.272   0.497  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.728   0.677  -0.183  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.673   1.477   0.249  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.730   0.095   0.485  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.924  -0.559   0.260  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.147  -1.890   0.434  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.534  -1.985   0.053  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        7.114  -0.721  -0.330  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        6.046   0.106  -0.174  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        6.037   1.463  -0.404  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.839   2.152  -0.183  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.412  -0.169  -0.630  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -0.928  -0.986  -0.987  0.00  0.00    +0.155 HD
BRANCH  18  25
ATOM     20  C   LIG    1       -6.753  -1.349   1.118  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.347  -1.063   0.680  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -4.903  -1.462  -0.585  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -3.598  -1.174  -1.022  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1       -3.174  -1.624  -2.396  0.00  0.00    +0.045 C 
ATOM     25  C   LIG    1       -2.716  -0.465  -0.179  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -3.178  -0.060   1.082  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -4.478  -0.350   1.505  0.00  0.00    +0.005 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 3