REMARK  Name = BDB045484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.537  -0.162  -0.199  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        0.728   0.054   0.034  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1        1.731  -0.532  -0.861  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1        1.405  -1.223  -1.827  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1        3.062  -0.265  -0.558  0.00  0.00    -0.206 N 
ATOM      6  C   LIG    1        3.451   0.515   0.531  0.00  0.00    +0.320 C 
ATOM      7  O   LIG    1        4.654   0.719   0.750  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1        2.483   1.065   1.373  0.00  0.00    -0.206 N 
ATOM      9  C   LIG    1        1.119   0.875   1.183  0.00  0.00    +0.261 C 
ATOM     10  O   LIG    1        0.279   1.368   1.935  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -4.265  -0.105   0.102  0.00  0.00    +0.169 A 
ATOM     12  C   LIG    1       -4.688  -0.898  -1.005  0.00  0.00    +0.220 A 
ATOM     13  O   LIG    1       -5.911  -1.143  -1.281  0.00  0.00    -0.284 OA
ATOM     14  C   LIG    1       -3.647  -1.416  -1.804  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -2.291  -1.182  -1.551  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.920  -0.405  -0.464  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -2.899   0.135   0.364  0.00  0.00    +0.058 A 
BRANCH  11  19
ATOM     18  C   LIG    1       -4.951   1.198   2.000  0.00  0.00    +0.253 C 
ATOM     19  O   LIG    1       -5.299   0.399   0.881  0.00  0.00    -0.469 OA
ENDBRANCH  11  19
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  C   LIG    1        4.037  -0.795  -1.372  0.00  0.00    +0.129 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.135  -1.385  -2.278  0.00  0.00    -0.004 C 
ATOM     22  C   LIG    1        6.248  -1.965  -3.171  0.00  0.00    -0.003 C 
ENDBRANCH  20  21
ENDBRANCH   5  20
BRANCH   8  23
ATOM     23  C   LIG    1        2.896   1.830   2.440  0.00  0.00    +0.129 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.371   2.685   3.631  0.00  0.00    -0.004 C 
ATOM     25  C   LIG    1        3.874   3.535   4.813  0.00  0.00    -0.003 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6