REMARK  Name = BDB016489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.170  -0.701  -4.538  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.957  -0.381  -3.610  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.819  -0.352  -2.227  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1       -1.847  -0.032  -1.423  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -3.030   0.254  -1.996  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.267   0.219  -3.319  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.216  -0.089  -4.095  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.173   0.553  -1.113  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.132   1.492  -0.047  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.275   1.647   0.769  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.446   0.929   0.531  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.503   0.036  -0.527  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.381  -0.148  -1.335  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -2.898   2.345   0.244  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -2.204   1.876   1.525  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -3.224   3.843   0.324  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.442  -0.639  -1.662  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        0.736  -1.549  -2.003  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.483  -0.556  -0.202  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.917  -0.781   0.308  0.00  0.00    +0.008 C 
ATOM     21  C   LIG    1        2.395  -2.224   0.119  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        3.834  -2.389   0.626  0.00  0.00    +0.085 C 
ATOM     23  N   LIG    1        4.119  -1.786   1.941  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        2.898  -1.331   2.617  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        2.028  -0.378   1.792  0.00  0.00    +0.020 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.089  -0.678   1.805  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1        6.502  -1.220   1.508  0.00  0.00    +0.181 C 
ATOM     28  O   LIG    1        7.054  -0.449   2.611  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        5.715  -0.310   3.164  0.00  0.00    +0.181 C 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6