Obsolete: D0N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F3' | C3' | sing | 1.40Å | 1.38Å | |
C3' | C2' | sing | 1.53Å | 1.53Å | |
C3' | C4' | sing | 1.53Å | 1.54Å | |
C2' | C1' | sing | 1.53Å | 1.53Å | |
C2' | O2' | sing | 1.43Å | 1.44Å | |
C1' | O1' | sing | 1.43Å | 1.43Å | |
C1' | O5' | sing | 1.43Å | 1.43Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.54Å | |
C5' | C6' | sing | 1.53Å | 1.53Å | |
C6' | O6' | sing | 1.43Å | 1.44Å | |
C4' | O1 | sing | 1.43Å | 1.45Å | |
O1 | C1 | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
O5 | C5 | sing | 1.43Å | 1.44Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3' | H1 | sing | 1.09Å | 1.10Å | |
C2' | H2 | sing | 1.09Å | 1.10Å | |
O2' | H3 | sing | 0.97Å | 0.95Å | |
C1' | H4 | sing | 1.09Å | 1.10Å | |
O1' | H5 | sing | 0.97Å | 0.95Å | |
C5' | H6 | sing | 1.09Å | 1.10Å | |
C6' | H7 | sing | 1.09Å | 1.10Å | |
C6' | H8 | sing | 1.09Å | 1.10Å | |
O6' | H9 | sing | 0.97Å | 0.95Å | |
C4' | H10 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C2 | H12 | sing | 1.09Å | 1.10Å | |
O2 | H13 | sing | 0.97Å | 0.95Å | |
C5 | H14 | sing | 1.09Å | 1.10Å | |
C6 | H15 | sing | 1.09Å | 1.10Å | |
C6 | H16 | sing | 1.09Å | 1.10Å | |
O6 | H17 | sing | 0.97Å | 0.95Å | |
C4 | H18 | sing | 1.09Å | 1.10Å | |
O4 | H19 | sing | 0.97Å | 0.95Å | |
C3 | H20 | sing | 1.09Å | 1.10Å | |
O3 | H21 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F3' | C3' | C2' | 107.3° | 109.6° |
F3' | C3' | C4' | 112.0° | 109.6° |
F3' | C3' | H1 | 110.1° | 109.5° |
C2' | C3' | C4' | 111.5° | 109.0° |
C3' | C2' | C1' | 111.1° | 109.2° |
C3' | C2' | O2' | 109.6° | 109.5° |
C2' | C3' | H1 | 108.0° | 109.5° |
C3' | C2' | H2 | 107.9° | 109.5° |
C3' | C4' | C5' | 111.2° | 109.2° |
C3' | C4' | O1 | 111.7° | 109.5° |
C4' | C3' | H1 | 107.9° | 109.6° |
C3' | C4' | H10 | 107.9° | 109.5° |
C1' | C2' | O2' | 111.2° | 109.5° |
C2' | C1' | O1' | 111.1° | 109.5° |
C2' | C1' | O5' | 108.9° | 109.4° |
C1' | C2' | H2 | 107.9° | 109.6° |
C2' | C1' | H4 | 107.8° | 109.5° |
O2' | C2' | H2 | 109.1° | 109.6° |
C2' | O2' | H3 | 109.5° | 114.0° |
O1' | C1' | O5' | 110.6° | 109.5° |
O1' | C1' | H4 | 109.2° | 109.5° |
C1' | O1' | H5 | 109.5° | 114.0° |
C1' | O5' | C5' | 115.4° | 114.1° |
O5' | C1' | H4 | 109.1° | 109.5° |
O5' | C5' | C4' | 111.6° | 109.5° |
O5' | C5' | C6' | 108.3° | 109.4° |
O5' | C5' | H6 | 108.7° | 109.4° |
C4' | C5' | C6' | 113.2° | 109.5° |
C5' | C4' | O1 | 109.0° | 109.6° |
C4' | C5' | H6 | 107.4° | 109.5° |
C5' | C4' | H10 | 107.9° | 109.5° |
C5' | C6' | O6' | 112.3° | 109.5° |
C6' | C5' | H6 | 107.5° | 109.5° |
C5' | C6' | H7 | 108.7° | 109.5° |
C5' | C6' | H8 | 108.8° | 109.5° |
O6' | C6' | H7 | 108.8° | 109.5° |
O6' | C6' | H8 | 108.8° | 109.4° |
C6' | O6' | H9 | 109.5° | 114.0° |
C4' | O1 | C1 | 115.0° | 114.0° |
O1 | C4' | H10 | 109.1° | 109.6° |
O1 | C1 | C2 | 110.6° | 109.5° |
O1 | C1 | O5 | 113.1° | 109.5° |
O1 | C1 | H11 | 108.0° | 109.5° |
C2 | C1 | O5 | 109.7° | 109.4° |
C1 | C2 | O2 | 110.8° | 109.5° |
C1 | C2 | C3 | 108.8° | 109.1° |
C2 | C1 | H11 | 107.0° | 109.5° |
C1 | C2 | H12 | 108.3° | 109.6° |
C1 | O5 | C5 | 116.3° | 114.1° |
O5 | C1 | H11 | 108.1° | 109.5° |
O2 | C2 | C3 | 111.1° | 109.5° |
O2 | C2 | H12 | 109.5° | 109.6° |
C2 | O2 | H13 | 109.5° | 114.0° |
C2 | C3 | C4 | 110.0° | 109.0° |
C2 | C3 | O3 | 108.0° | 109.5° |
C3 | C2 | H12 | 108.3° | 109.5° |
C2 | C3 | H20 | 108.1° | 109.5° |
O5 | C5 | C4 | 112.3° | 109.5° |
O5 | C5 | C6 | 108.0° | 109.5° |
O5 | C5 | H14 | 108.5° | 109.4° |
C4 | C5 | C6 | 113.2° | 109.5° |
C5 | C4 | O4 | 109.0° | 109.5° |
C5 | C4 | C3 | 109.1° | 109.2° |
C4 | C5 | H14 | 107.2° | 109.5° |
C5 | C4 | H18 | 109.3° | 109.5° |
C5 | C6 | O6 | 109.0° | 109.5° |
C6 | C5 | H14 | 107.5° | 109.4° |
C5 | C6 | H15 | 109.6° | 109.5° |
C5 | C6 | H16 | 109.6° | 109.5° |
O6 | C6 | H15 | 109.6° | 109.4° |
O6 | C6 | H16 | 109.6° | 109.4° |
C6 | O6 | H17 | 109.5° | 114.0° |
O4 | C4 | C3 | 108.8° | 109.5° |
O4 | C4 | H18 | 111.0° | 109.6° |
C4 | O4 | H19 | 109.5° | 114.0° |
C4 | C3 | O3 | 112.7° | 109.6° |
C3 | C4 | H18 | 109.6° | 109.6° |
C4 | C3 | H20 | 108.2° | 109.6° |
O3 | C3 | H20 | 109.6° | 109.6° |
C3 | O3 | H21 | 109.5° | 113.9° |
H7 | C6' | H8 | 109.5° | 109.4° |
H15 | C6 | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F3' | C3' | C2' | C4' | 123.0° | 119.9° |
F3' | C3' | C2' | H1 | 118.6° | 120.2° |
F3' | C3' | C4' | H1 | 121.3° | 120.2° |
F3' | C3' | C2' | C1' | 175.5° | 176.9° |
F3' | C3' | C2' | O2' | 61.2° | 63.3° |
F3' | C3' | C4' | C5' | 168.4° | 176.9° |
F3' | C3' | C4' | O1 | 69.6° | 63.2° |
F3' | C3' | C2' | H2 | 57.5° | 56.9° |
F3' | C3' | C4' | H10 | 50.3° | 57.0° |
C2' | C3' | C4' | H1 | 118.5° | 119.9° |
C3' | C2' | C1' | O2' | 122.4° | 119.9° |
C3' | C2' | C1' | H2 | 118.0° | 119.9° |
C3' | C2' | O2' | H2 | 117.9° | 120.2° |
C3' | C2' | C1' | O1' | 65.3° | 62.3° |
C3' | C2' | C1' | O5' | 56.7° | 57.7° |
C2' | C3' | C4' | C5' | 48.2° | 57.0° |
C2' | C3' | C4' | O1 | 170.2° | 176.9° |
C3' | C2' | O2' | H3 | 180.0° | 180.0° |
C3' | C2' | C1' | H4 | 175.0° | 177.6° |
C2' | C3' | C4' | H10 | 69.9° | 62.9° |
C4' | C3' | C2' | C1' | 52.5° | 57.0° |
C4' | C3' | C2' | O2' | 175.8° | 176.9° |
C3' | C4' | C5' | O5' | 49.2° | 57.6° |
C3' | C4' | C5' | O1 | 123.5° | 119.9° |
C3' | C4' | C5' | H10 | 118.1° | 119.8° |
C3' | C4' | C5' | C6' | 171.7° | 177.6° |
C3' | C4' | O1 | H10 | 119.2° | 120.1° |
C3' | C4' | O1 | C1 | 89.7° | 84.0° |
C4' | C3' | C2' | H2 | 65.5° | 63.0° |
C3' | C4' | C5' | H6 | 69.8° | 62.4° |
C1' | C2' | O2' | H2 | 118.8° | 120.2° |
C2' | C1' | O1' | O5' | 121.0° | 119.9° |
C2' | C1' | O1' | H4 | 118.8° | 120.0° |
C2' | C1' | O5' | H4 | 117.5° | 120.0° |
C2' | C1' | O5' | C5' | 60.6° | 61.2° |
C1' | C2' | C3' | H1 | 65.9° | 62.9° |
C1' | C2' | O2' | H3 | 56.8° | 60.3° |
C2' | C1' | O1' | H5 | 180.0° | 180.0° |
O2' | C2' | C1' | O1' | 57.1° | 57.5° |
O2' | C2' | C1' | O5' | 179.1° | 177.5° |
O2' | C2' | C3' | H1 | 57.4° | 56.9° |
O2' | C2' | C1' | H4 | 62.6° | 62.5° |
O1' | C1' | O5' | H4 | 120.2° | 120.0° |
O1' | C1' | O5' | C5' | 61.7° | 58.8° |
O1' | C1' | C2' | H2 | 176.6° | 177.7° |
C1' | O5' | C5' | C4' | 57.5° | 61.2° |
C1' | O5' | C5' | C6' | 177.3° | 178.8° |
O5' | C1' | C2' | H2 | 61.3° | 62.3° |
O5' | C1' | O1' | H5 | 59.0° | 60.1° |
C1' | O5' | C5' | H6 | 60.8° | 58.9° |
O5' | C5' | C4' | C6' | 122.5° | 120.0° |
O5' | C5' | C4' | H6 | 119.0° | 120.0° |
O5' | C5' | C6' | H6 | 117.2° | 119.9° |
O5' | C5' | C6' | O6' | 69.6° | 64.5° |
O5' | C5' | C4' | O1 | 172.7° | 177.5° |
C5' | O5' | C1' | H4 | 178.1° | 178.9° |
O5' | C5' | C6' | H7 | 50.8° | 175.5° |
O5' | C5' | C6' | H8 | 170.0° | 55.5° |
O5' | C5' | C4' | H10 | 69.0° | 62.2° |
C4' | C5' | C6' | H6 | 118.4° | 120.1° |
C4' | C5' | C6' | O6' | 54.7° | 175.6° |
C5' | C4' | O1 | H10 | 117.6° | 120.2° |
C5' | C4' | O1 | C1 | 147.1° | 156.3° |
C5' | C4' | C3' | H1 | 70.3° | 62.9° |
C4' | C5' | C6' | H7 | 175.1° | 55.6° |
C4' | C5' | C6' | H8 | 65.7° | 64.4° |
C5' | C6' | O6' | H7 | 120.4° | 120.0° |
C5' | C6' | O6' | H8 | 120.4° | 120.0° |
C6' | C5' | C4' | O1 | 64.8° | 62.5° |
C5' | C6' | H7 | H8 | 118.7° | 120.0° |
C5' | C6' | O6' | H9 | 180.0° | 180.0° |
C6' | C5' | C4' | H10 | 53.5° | 57.7° |
O6' | C6' | C5' | H6 | 173.2° | 55.5° |
O6' | C6' | H7 | H8 | 118.7° | 119.9° |
C4' | O1 | C1 | C2 | 169.8° | 167.5° |
C4' | O1 | C1 | O5 | 66.7° | 72.5° |
O1 | C4' | C3' | H1 | 51.7° | 57.0° |
O1 | C4' | C5' | H6 | 53.7° | 57.5° |
C4' | O1 | C1 | H11 | 52.9° | 47.5° |
O1 | C1 | C2 | O5 | 125.5° | 120.0° |
O1 | C1 | C2 | H11 | 117.4° | 120.0° |
O1 | C1 | O5 | H11 | 119.6° | 120.0° |
O1 | C1 | C2 | O2 | 55.0° | 57.5° |
O1 | C1 | C2 | C3 | 67.4° | 62.4° |
O1 | C1 | O5 | C5 | 68.1° | 58.9° |
C1 | O1 | C4' | H10 | 29.5° | 36.1° |
O1 | C1 | C2 | H12 | 175.1° | 177.7° |
C2 | C1 | O5 | H11 | 116.4° | 119.9° |
C1 | C2 | O2 | C3 | 121.0° | 119.6° |
C1 | C2 | O2 | H12 | 119.4° | 120.2° |
C1 | C2 | C3 | H12 | 117.5° | 119.9° |
C2 | C1 | O5 | C5 | 56.0° | 61.1° |
C1 | C2 | C3 | C4 | 60.4° | 57.0° |
C1 | C2 | C3 | O3 | 176.1° | 176.9° |
C1 | C2 | O2 | H13 | 180.0° | 60.1° |
C1 | C2 | C3 | H20 | 57.6° | 62.8° |
O5 | C1 | C2 | O2 | 179.5° | 177.5° |
O5 | C1 | C2 | C3 | 58.1° | 57.7° |
C1 | O5 | C5 | C4 | 52.9° | 61.1° |
C1 | O5 | C5 | C6 | 178.3° | 178.9° |
O5 | C1 | C2 | H12 | 59.4° | 62.3° |
C1 | O5 | C5 | H14 | 65.5° | 58.9° |
O2 | C2 | C3 | H12 | 120.3° | 120.2° |
O2 | C2 | C3 | C4 | 177.4° | 176.9° |
O2 | C2 | C3 | O3 | 53.9° | 63.3° |
O2 | C2 | C1 | H11 | 62.5° | 62.6° |
O2 | C2 | C3 | H20 | 64.7° | 57.0° |
C2 | C3 | C4 | C5 | 56.1° | 57.0° |
C2 | C3 | C4 | O4 | 174.9° | 176.9° |
C2 | C3 | C4 | O3 | 120.7° | 119.9° |
C2 | C3 | C4 | H20 | 117.9° | 119.8° |
C2 | C3 | O3 | H20 | 117.6° | 120.2° |
C3 | C2 | C1 | H11 | 175.1° | 177.6° |
C3 | C2 | O2 | H13 | 59.0° | 179.7° |
C2 | C3 | C4 | H18 | 63.6° | 63.0° |
C2 | C3 | O3 | H21 | 180.0° | 60.0° |
O5 | C5 | C4 | C6 | 122.6° | 120.0° |
O5 | C5 | C4 | H14 | 119.1° | 120.0° |
O5 | C5 | C6 | H14 | 116.9° | 119.9° |
O5 | C5 | C6 | O6 | 59.6° | 64.9° |
O5 | C5 | C4 | O4 | 169.8° | 177.5° |
O5 | C5 | C4 | C3 | 51.1° | 57.6° |
C5 | O5 | C1 | H11 | 172.4° | 178.9° |
O5 | C5 | C6 | H15 | 60.3° | 175.1° |
O5 | C5 | C6 | H16 | 179.6° | 55.0° |
O5 | C5 | C4 | H18 | 68.8° | 62.4° |
C4 | C5 | C6 | H14 | 118.1° | 120.0° |
C4 | C5 | C6 | O6 | 65.3° | 175.0° |
C5 | C4 | O4 | C3 | 118.9° | 119.7° |
C5 | C4 | O4 | H18 | 120.4° | 120.1° |
C5 | C4 | C3 | H18 | 119.7° | 119.9° |
C5 | C4 | C3 | O3 | 176.8° | 176.8° |
C4 | C5 | C6 | H15 | 174.8° | 55.1° |
C4 | C5 | C6 | H16 | 54.6° | 65.0° |
C5 | C4 | O4 | H19 | 180.0° | 180.0° |
C5 | C4 | C3 | H20 | 61.8° | 62.9° |
C5 | C6 | O6 | H15 | 119.9° | 120.0° |
C5 | C6 | O6 | H16 | 119.9° | 120.0° |
C6 | C5 | C4 | O4 | 67.7° | 62.5° |
C6 | C5 | C4 | C3 | 173.6° | 177.6° |
C5 | C6 | H15 | H16 | 120.3° | 120.1° |
C5 | C6 | O6 | H17 | 180.0° | 180.0° |
C6 | C5 | C4 | H18 | 53.8° | 57.7° |
O6 | C6 | C5 | H14 | 176.5° | 55.0° |
O6 | C6 | H15 | H16 | 120.2° | 120.0° |
O4 | C4 | C3 | H18 | 121.5° | 120.2° |
O4 | C4 | C3 | O3 | 64.4° | 63.3° |
O4 | C4 | C5 | H14 | 50.7° | 57.5° |
O4 | C4 | C3 | H20 | 57.0° | 57.0° |
C4 | C3 | O3 | H20 | 120.6° | 120.3° |
C4 | C3 | C2 | H12 | 57.1° | 62.9° |
C3 | C4 | C5 | H14 | 68.0° | 62.4° |
C3 | C4 | O4 | H19 | 61.1° | 60.3° |
C4 | C3 | O3 | H21 | 58.2° | 179.6° |
O3 | C3 | C2 | H12 | 66.4° | 56.9° |
O3 | C3 | C4 | H18 | 57.1° | 56.9° |
H1 | C3' | C2' | H2 | 176.1° | 177.1° |
H1 | C3' | C4' | H10 | 171.6° | 177.2° |
H2 | C2' | O2' | H3 | 62.1° | 59.9° |
H2 | C2' | C1' | H4 | 57.0° | 57.7° |
H4 | C1' | O1' | H5 | 61.2° | 60.0° |
H6 | C5' | C6' | H7 | 66.4° | 64.5° |
H6 | C5' | C6' | H8 | 52.8° | 175.5° |
H6 | C5' | C4' | H10 | 172.0° | 177.8° |
H7 | C6' | O6' | H9 | 59.6° | 59.9° |
H8 | C6' | O6' | H9 | 59.6° | 60.0° |
H11 | C1 | C2 | H12 | 57.7° | 57.7° |
H12 | C2 | O2 | H13 | 60.6° | 60.1° |
H12 | C2 | C3 | H20 | 175.1° | 177.2° |
H14 | C5 | C6 | H15 | 56.6° | 65.0° |
H14 | C5 | C6 | H16 | 63.6° | 174.9° |
H14 | C5 | C4 | H18 | 172.1° | 177.6° |
H15 | C6 | O6 | H17 | 60.1° | 60.0° |
H16 | C6 | O6 | H17 | 60.1° | 60.0° |
H18 | C4 | O4 | H19 | 59.6° | 59.9° |
H18 | C4 | C3 | H20 | 178.5° | 177.2° |
H20 | C3 | O3 | H21 | 62.4° | 60.2° |