REMARK  Name = BDB051308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.259   0.967  -1.434  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -3.195   0.667  -0.374  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -4.423   1.211  -0.769  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -5.582   1.158   0.011  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -5.498   0.538   1.253  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.298  -0.027   1.688  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -4.284  -0.663   3.041  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -5.234  -0.580   3.810  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -3.151  -1.354   3.396  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -3.236  -1.873   4.261  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -2.184  -1.757   2.407  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -1.865  -0.616   1.452  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1       -4.252   1.777  -2.010  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -4.985   2.236  -2.533  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -3.124   0.004   0.887  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -2.958   1.643  -2.416  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.797   0.645  -1.519  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.062   1.599  -0.686  0.00  0.00    +0.109 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.038   0.251  -0.048  0.00  0.00    +0.217 C 
ATOM     20  N   LIG    1        1.478   1.285  -0.771  0.00  0.00    -0.315 N 
ATOM     21  H   LIG    1        2.054   1.824  -1.404  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.391  -0.443   0.729  0.00  0.00    -0.275 OA
BRANCH  19  26
ATOM     23  C   LIG    1        6.470  -0.750  -0.059  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        5.269  -1.546  -0.309  0.00  0.00    -0.305 NA
ATOM     25  C   LIG    1        4.123  -1.084   0.496  0.00  0.00    +0.096 C 
ATOM     26  C   LIG    1        3.531   0.093  -0.274  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        3.901  -0.185  -1.732  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1        4.804  -1.414  -1.694  0.00  0.00    +0.085 C 
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4