REMARK  Name = BDB045473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.662  -0.474   0.486  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        1.397  -0.249   0.255  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1        0.957   1.115  -0.045  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1        1.766   2.045  -0.082  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1       -0.405   1.289  -0.282  0.00  0.00    -0.206 N 
ATOM      6  C   LIG    1       -1.327   0.236  -0.242  0.00  0.00    +0.320 C 
ATOM      7  O   LIG    1       -2.530   0.451  -0.462  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1       -0.883  -1.060   0.047  0.00  0.00    -0.206 N 
ATOM      9  C   LIG    1        0.451  -1.366   0.303  0.00  0.00    +0.261 C 
ATOM     10  O   LIG    1        0.839  -2.508   0.557  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.664  -0.289   3.260  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1        4.578  -0.647   2.035  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1        4.058  -0.723   0.741  0.00  0.00    -0.009 A 
ATOM     14  C   LIG    1        4.933  -1.047  -0.298  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        4.431  -1.153  -1.781  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        6.288  -1.287  -0.040  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        6.845  -1.219   1.250  0.00  0.00    +0.180 A 
ATOM     18  O   LIG    1        8.075  -1.438   1.475  0.00  0.00    -0.288 OA
ATOM     19  C   LIG    1        5.936  -0.891   2.272  0.00  0.00    +0.055 A 
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1       -0.859   2.556  -0.569  0.00  0.00    +0.128 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.321   3.875  -0.865  0.00  0.00    -0.019 A 
ATOM     22  C   LIG    1       -2.676   4.102  -1.110  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -3.124   5.392  -1.399  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.218   6.452  -1.443  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -0.863   6.224  -1.198  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -0.413   4.935  -0.908  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   5  20
BRANCH   8  27
ATOM     27  C   LIG    1       -1.804  -2.082   0.082  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.752  -3.150   0.121  0.00  0.00    -0.019 A 
ATOM     29  C   LIG    1       -2.325  -4.447   0.408  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -3.250  -5.492   0.446  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.599  -5.238   0.198  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.026  -3.941  -0.089  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.101  -2.895  -0.128  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5