REMARK  Name = BDB020580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.409   0.669   1.468  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.635   0.675   0.744  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.849   0.762   1.454  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        4.048   0.752   0.850  0.00  0.00    -0.243 NA
ATOM      5  C   LIG    1        4.095   0.653  -0.510  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1        2.973   0.579  -1.319  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.816   0.850   2.839  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.617   0.855   3.550  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.735   0.592  -0.664  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        0.413   0.762   2.866  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -5.100  -0.579   0.747  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -3.944  -0.989  -0.157  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -2.785  -0.144   0.054  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -1.760  -0.481   0.893  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -0.867   0.562   0.789  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.331   1.510  -0.089  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -1.801  -1.744   1.644  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -2.468  -2.755   0.834  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -2.192  -4.141   1.167  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.486   1.054  -0.527  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -3.600  -2.463   0.076  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -4.330  -3.344  -0.384  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.363   1.817  -1.557  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.437   1.318  -2.977  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.676   2.573  -2.664  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.477   0.581  -1.030  0.00  0.00    +0.202 A 
ATOM     27  N   LIG    1        6.494   0.851  -0.199  0.00  0.00    -0.270 N 
ATOM     28  H   LIG    1        6.423   1.076   0.780  0.00  0.00    +0.174 HD
ATOM     29  C   LIG    1        7.625   0.651  -0.886  0.00  0.00    +0.440 A 
ATOM     30  O   LIG    1        8.759   0.740  -0.447  0.00  0.00    -0.221 OA
ATOM     31  O   LIG    1        7.290   0.295  -2.171  0.00  0.00    -0.295 OA
ATOM     32  N   LIG    1        5.858   0.253  -2.219  0.00  0.00    -0.053 NA
ENDBRANCH   5  26
BRANCH   6  33
ATOM     33  C   LIG    1        3.046   0.539  -2.815  0.00  0.00    +0.374 C 
ATOM     34  F   LIG    1        3.563   1.687  -3.331  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        1.819   0.407  -3.401  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4