AFO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.54Å | 1.52Å | |
C1 | O4 | sing | 1.44Å | 1.43Å | |
O1 | C1' | sing | 1.43Å | 1.42Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.55Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.55Å | 1.52Å | |
C4 | O4 | sing | 1.44Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C1' | C2' | sing | 1.53Å | 1.52Å | |
C2' | C3' | sing | 1.53Å | 1.53Å | |
C3' | C4' | sing | 1.53Å | 1.52Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C5' | C6' | sing | 1.53Å | 1.53Å | |
C6' | C7' | sing | 1.53Å | 1.53Å | |
C7' | C8' | sing | 1.53Å | 1.51Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C1' | H1'A | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'A | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C3' | H3'A | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C4' | H4'A | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
C6' | H6' | sing | 1.09Å | 1.10Å | |
C6' | H6'A | sing | 1.09Å | 1.10Å | |
C7' | H7' | sing | 1.09Å | 1.10Å | |
C7' | H7'A | sing | 1.09Å | 1.10Å | |
C8' | H8' | sing | 1.09Å | 1.10Å | |
C8' | H8'A | sing | 1.09Å | 1.10Å | |
C8' | H8'B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 106.8° | 109.9° |
O1 | C1 | O4 | 109.5° | 109.8° |
C1 | O1 | C1' | 114.0° | 114.0° |
O1 | C1 | H1 | 110.3° | 109.9° |
C2 | C1 | O4 | 106.5° | 107.3° |
C1 | C2 | O2 | 112.1° | 110.5° |
C1 | C2 | C3 | 106.0° | 104.2° |
C2 | C1 | H1 | 113.0° | 109.9° |
C1 | C2 | H2 | 110.7° | 110.5° |
C1 | O4 | C4 | 109.4° | 107.0° |
O4 | C1 | H1 | 110.6° | 110.0° |
O1 | C1' | C2' | 107.3° | 109.5° |
O1 | C1' | H1' | 110.2° | 109.5° |
O1 | C1' | H1'A | 110.2° | 109.4° |
O2 | C2 | C3 | 111.4° | 110.5° |
O2 | C2 | H2 | 105.2° | 110.4° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 108.3° | 110.9° |
C2 | C3 | C4 | 105.3° | 102.1° |
C3 | C2 | H2 | 111.5° | 110.6° |
C2 | C3 | H3 | 112.8° | 110.9° |
O3 | C3 | C4 | 109.2° | 110.9° |
O3 | C3 | H3 | 109.2° | 110.8° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 106.6° | 103.4° |
C3 | C4 | C5 | 113.3° | 110.6° |
C4 | C3 | H3 | 111.9° | 111.0° |
C3 | C4 | H4 | 109.6° | 110.6° |
O4 | C4 | C5 | 111.5° | 110.6° |
O4 | C4 | H4 | 111.5° | 110.6° |
C4 | C5 | O5 | 109.4° | 109.5° |
C5 | C4 | H4 | 104.5° | 110.7° |
C4 | C5 | H51 | 109.5° | 109.4° |
C4 | C5 | H52 | 109.5° | 109.4° |
O5 | C5 | H51 | 109.5° | 109.5° |
O5 | C5 | H52 | 109.5° | 109.5° |
C5 | O5 | HO5 | 109.5° | 113.9° |
C1' | C2' | C3' | 112.5° | 109.5° |
C2' | C1' | H1' | 110.2° | 109.5° |
C2' | C1' | H1'A | 110.2° | 109.5° |
C1' | C2' | H2' | 108.5° | 109.5° |
C1' | C2' | H2'A | 108.5° | 109.5° |
C2' | C3' | C4' | 109.2° | 109.5° |
C3' | C2' | H2' | 108.5° | 109.4° |
C3' | C2' | H2'A | 108.5° | 109.5° |
C2' | C3' | H3' | 109.5° | 109.4° |
C2' | C3' | H3'A | 109.6° | 109.5° |
C3' | C4' | C5' | 111.4° | 109.5° |
C4' | C3' | H3' | 109.6° | 109.5° |
C4' | C3' | H3'A | 109.5° | 109.5° |
C3' | C4' | H4' | 108.8° | 109.5° |
C3' | C4' | H4'A | 108.9° | 109.5° |
C4' | C5' | C6' | 112.9° | 109.5° |
C5' | C4' | H4' | 108.8° | 109.4° |
C5' | C4' | H4'A | 108.8° | 109.5° |
C4' | C5' | H5' | 108.3° | 109.4° |
C4' | C5' | H5'A | 108.4° | 109.4° |
C5' | C6' | C7' | 110.8° | 109.5° |
C6' | C5' | H5' | 108.3° | 109.5° |
C6' | C5' | H5'A | 108.3° | 109.5° |
C5' | C6' | H6' | 109.0° | 109.5° |
C5' | C6' | H6'A | 109.0° | 109.5° |
C6' | C7' | C8' | 111.3° | 109.5° |
C7' | C6' | H6' | 109.0° | 109.4° |
C7' | C6' | H6'A | 109.1° | 109.4° |
C6' | C7' | H7' | 108.8° | 109.4° |
C6' | C7' | H7'A | 108.9° | 109.5° |
C8' | C7' | H7' | 108.8° | 109.5° |
C8' | C7' | H7'A | 108.8° | 109.5° |
C7' | C8' | H8' | 109.5° | 109.5° |
C7' | C8' | H8'A | 109.5° | 109.5° |
C7' | C8' | H8'B | 109.5° | 109.5° |
H51 | C5 | H52 | 109.5° | 109.5° |
H1' | C1' | H1'A | 108.7° | 109.5° |
H2' | C2' | H2'A | 110.5° | 109.4° |
H3' | C3' | H3'A | 109.4° | 109.4° |
H4' | C4' | H4'A | 110.1° | 109.4° |
H5' | C5' | H5'A | 110.6° | 109.5° |
H6' | C6' | H6'A | 109.9° | 109.5° |
H7' | C7' | H7'A | 110.1° | 109.5° |
H8' | C8' | H8'A | 109.5° | 109.4° |
H8' | C8' | H8'B | 109.4° | 109.4° |
H8'A | C8' | H8'B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O4 | 116.9° | 119.4° |
O1 | C1 | C2 | H1 | 121.5° | 121.1° |
O1 | C1 | O4 | H1 | 121.7° | 121.1° |
O1 | C1 | C2 | O2 | 133.7° | 124.0° |
O1 | C1 | C2 | C3 | 104.5° | 117.4° |
O1 | C1 | O4 | C4 | 91.3° | 92.9° |
C1 | O1 | C1' | C2' | 168.5° | 180.0° |
O1 | C1 | C2 | H2 | 16.5° | 1.5° |
C1 | O1 | C1' | H1' | 48.5° | 60.0° |
C1 | O1 | C1' | H1'A | 71.5° | 60.0° |
C2 | C1 | O4 | H1 | 123.2° | 119.5° |
C2 | C1 | O1 | C1' | 175.9° | 170.0° |
C1 | C2 | O2 | C3 | 118.6° | 114.8° |
C1 | C2 | O2 | H2 | 120.4° | 122.5° |
C1 | C2 | C3 | H2 | 120.6° | 118.8° |
C1 | C2 | C3 | O3 | 119.4° | 139.1° |
C1 | C2 | C3 | C4 | 2.6° | 20.9° |
C2 | C1 | O4 | C4 | 23.8° | 26.5° |
C1 | C2 | O2 | HO2 | 180.0° | 61.4° |
C1 | C2 | C3 | H3 | 119.7° | 97.4° |
O4 | C1 | O1 | C1' | 61.0° | 72.2° |
O4 | C1 | C2 | O2 | 109.4° | 116.7° |
O4 | C1 | C2 | C3 | 12.4° | 2.0° |
C1 | O4 | C4 | C3 | 25.6° | 40.1° |
C1 | O4 | C4 | C5 | 149.7° | 158.5° |
O4 | C1 | C2 | H2 | 133.4° | 120.8° |
C1 | O4 | C4 | H4 | 94.0° | 78.5° |
O1 | C1' | C2' | H1' | 120.0° | 120.0° |
O1 | C1' | C2' | H1'A | 120.0° | 119.9° |
O1 | C1' | C2' | C3' | 158.4° | 180.0° |
C1' | O1 | C1 | H1 | 60.9° | 48.9° |
O1 | C1' | H1' | H1'A | 120.9° | 120.0° |
O1 | C1' | C2' | H2' | 38.4° | 60.0° |
O1 | C1' | C2' | H2'A | 81.6° | 60.0° |
O2 | C2 | C3 | H2 | 117.2° | 122.6° |
O2 | C2 | C3 | O3 | 118.4° | 102.2° |
O2 | C2 | C3 | C4 | 124.9° | 139.6° |
O2 | C2 | C1 | H1 | 12.2° | 2.9° |
O2 | C2 | C3 | H3 | 2.5° | 21.3° |
C2 | C3 | O3 | C4 | 114.2° | 112.7° |
C2 | C3 | O3 | H3 | 123.1° | 123.6° |
C2 | C3 | C4 | H3 | 122.9° | 118.2° |
C2 | C3 | C4 | O4 | 16.7° | 37.0° |
C2 | C3 | C4 | C5 | 139.7° | 155.5° |
C3 | C2 | C1 | H1 | 134.0° | 121.6° |
C3 | C2 | O2 | HO2 | 61.4° | 176.2° |
C2 | C3 | O3 | HO3 | 180.0° | 61.4° |
C2 | C3 | C4 | H4 | 104.1° | 81.5° |
O3 | C3 | C4 | H3 | 121.0° | 123.6° |
O3 | C3 | C4 | O4 | 132.8° | 155.2° |
O3 | C3 | C4 | C5 | 104.2° | 86.3° |
O3 | C3 | C2 | H2 | 1.2° | 20.4° |
O3 | C3 | C4 | H4 | 12.1° | 36.7° |
C3 | C4 | O4 | C5 | 124.1° | 118.5° |
C3 | C4 | O4 | H4 | 119.6° | 118.5° |
C3 | C4 | C5 | H4 | 119.3° | 123.0° |
C3 | C4 | C5 | O5 | 159.5° | 175.0° |
C4 | C3 | C2 | H2 | 117.9° | 97.8° |
C4 | C3 | O3 | HO3 | 65.8° | 174.1° |
C3 | C4 | C5 | H51 | 39.5° | 55.0° |
C3 | C4 | C5 | H52 | 80.5° | 65.0° |
O4 | C4 | C5 | H4 | 120.5° | 123.0° |
O4 | C4 | C5 | O5 | 80.3° | 71.0° |
C4 | O4 | C1 | H1 | 147.0° | 146.0° |
O4 | C4 | C3 | H3 | 106.2° | 81.2° |
O4 | C4 | C5 | H51 | 159.7° | 169.0° |
O4 | C4 | C5 | H52 | 39.7° | 49.1° |
C4 | C5 | O5 | H51 | 120.0° | 120.0° |
C4 | C5 | O5 | H52 | 120.0° | 120.0° |
C5 | C4 | C3 | H3 | 16.8° | 37.3° |
C4 | C5 | H51 | H52 | 120.0° | 120.0° |
C4 | C5 | O5 | HO5 | 180.0° | 180.0° |
O5 | C5 | C4 | H4 | 40.2° | 52.0° |
O5 | C5 | H51 | H52 | 120.1° | 120.1° |
C1' | C2' | C3' | H2' | 120.0° | 120.0° |
C1' | C2' | C3' | H2'A | 120.0° | 120.0° |
C1' | C2' | C3' | C4' | 169.9° | 180.0° |
C2' | C1' | H1' | H1'A | 120.9° | 120.0° |
C1' | C2' | H2' | H2'A | 118.8° | 120.0° |
C1' | C2' | C3' | H3' | 49.9° | 60.0° |
C1' | C2' | C3' | H3'A | 70.1° | 60.0° |
C2' | C3' | C4' | H3' | 120.0° | 120.0° |
C2' | C3' | C4' | H3'A | 120.0° | 120.0° |
C2' | C3' | C4' | C5' | 22.9° | 180.0° |
C3' | C2' | C1' | H1' | 81.7° | 60.0° |
C3' | C2' | C1' | H1'A | 38.3° | 60.0° |
C3' | C2' | H2' | H2'A | 118.8° | 120.0° |
C2' | C3' | H3' | H3'A | 120.1° | 120.0° |
C2' | C3' | C4' | H4' | 97.1° | 60.0° |
C2' | C3' | C4' | H4'A | 142.9° | 60.0° |
C3' | C4' | C5' | H4' | 120.0° | 120.0° |
C3' | C4' | C5' | H4'A | 120.0° | 120.1° |
C3' | C4' | C5' | C6' | 76.1° | 180.0° |
C4' | C3' | C2' | H2' | 70.1° | 60.0° |
C4' | C3' | C2' | H2'A | 49.9° | 59.9° |
C4' | C3' | H3' | H3'A | 120.1° | 120.0° |
C3' | C4' | H4' | H4'A | 119.3° | 120.0° |
C3' | C4' | C5' | H5' | 43.9° | 60.0° |
C3' | C4' | C5' | H5'A | 163.9° | 60.0° |
C4' | C5' | C6' | H5' | 120.0° | 120.0° |
C4' | C5' | C6' | H5'A | 120.0° | 120.0° |
C4' | C5' | C6' | C7' | 170.8° | 180.0° |
C5' | C4' | C3' | H3' | 142.9° | 60.0° |
C5' | C4' | C3' | H3'A | 97.0° | 60.0° |
C5' | C4' | H4' | H4'A | 119.2° | 120.0° |
C4' | C5' | H5' | H5'A | 118.6° | 120.0° |
C4' | C5' | C6' | H6' | 69.2° | 60.0° |
C4' | C5' | C6' | H6'A | 50.7° | 60.0° |
C5' | C6' | C7' | H6' | 120.0° | 120.0° |
C5' | C6' | C7' | H6'A | 120.0° | 120.0° |
C5' | C6' | C7' | C8' | 176.1° | 180.0° |
C6' | C5' | C4' | H4' | 163.9° | 60.0° |
C6' | C5' | C4' | H4'A | 43.9° | 60.0° |
C6' | C5' | H5' | H5'A | 118.6° | 120.0° |
C5' | C6' | H6' | H6'A | 119.4° | 120.0° |
C5' | C6' | C7' | H7' | 63.9° | 60.0° |
C5' | C6' | C7' | H7'A | 56.1° | 60.0° |
C6' | C7' | C8' | H7' | 120.0° | 120.0° |
C6' | C7' | C8' | H7'A | 120.0° | 120.0° |
C7' | C6' | C5' | H5' | 50.8° | 60.0° |
C7' | C6' | C5' | H5'A | 69.2° | 60.0° |
C7' | C6' | H6' | H6'A | 119.5° | 120.0° |
C6' | C7' | H7' | H7'A | 119.3° | 120.0° |
C6' | C7' | C8' | H8' | 180.0° | 60.0° |
C6' | C7' | C8' | H8'A | 60.0° | 60.0° |
C6' | C7' | C8' | H8'B | 60.0° | 180.0° |
C8' | C7' | C6' | H6' | 56.1° | 60.0° |
C8' | C7' | C6' | H6'A | 63.9° | 60.0° |
C8' | C7' | H7' | H7'A | 119.2° | 120.0° |
C7' | C8' | H8' | H8'A | 120.0° | 120.0° |
C7' | C8' | H8' | H8'B | 120.0° | 120.0° |
C7' | C8' | H8'A | H8'B | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 105.0° | 119.6° |
H2 | C2 | O2 | HO2 | 59.6° | 61.1° |
H2 | C2 | C3 | H3 | 119.7° | 143.9° |
H3 | C3 | O3 | HO3 | 56.9° | 62.2° |
H3 | C3 | C4 | H4 | 133.1° | 160.3° |
H4 | C4 | C5 | H51 | 79.7° | 68.0° |
H4 | C4 | C5 | H52 | 160.3° | 172.1° |
H51 | C5 | O5 | HO5 | 60.0° | 60.0° |
H52 | C5 | O5 | HO5 | 60.0° | 60.0° |
H1' | C1' | C2' | H2' | 158.4° | 180.0° |
H1' | C1' | C2' | H2'A | 38.4° | 60.0° |
H1'A | C1' | C2' | H2' | 81.6° | 60.0° |
H1'A | C1' | C2' | H2'A | 158.3° | 180.0° |
H2' | C2' | C3' | H3' | 169.9° | 180.0° |
H2' | C2' | C3' | H3'A | 49.9° | 60.0° |
H2'A | C2' | C3' | H3' | 70.1° | 60.0° |
H2'A | C2' | C3' | H3'A | 169.9° | 180.0° |
H3' | C3' | C4' | H4' | 22.9° | 180.0° |
H3' | C3' | C4' | H4'A | 97.1° | 60.0° |
H3'A | C3' | C4' | H4' | 143.0° | 60.0° |
H3'A | C3' | C4' | H4'A | 22.9° | 180.0° |
H4' | C4' | C5' | H5' | 76.1° | 180.0° |
H4' | C4' | C5' | H5'A | 43.9° | 60.0° |
H4'A | C4' | C5' | H5' | 163.9° | 60.0° |
H4'A | C4' | C5' | H5'A | 76.1° | 180.0° |
H5' | C5' | C6' | H6' | 170.8° | 180.0° |
H5' | C5' | C6' | H6'A | 69.2° | 60.0° |
H5'A | C5' | C6' | H6' | 50.7° | 60.0° |
H5'A | C5' | C6' | H6'A | 170.7° | 180.0° |
H6' | C6' | C7' | H7' | 176.1° | 180.0° |
H6' | C6' | C7' | H7'A | 63.9° | 60.0° |
H6'A | C6' | C7' | H7' | 56.1° | 60.0° |
H6'A | C6' | C7' | H7'A | 176.1° | 180.0° |
H7' | C7' | C8' | H8' | 60.0° | 180.0° |
H7' | C7' | C8' | H8'A | 180.0° | 60.0° |
H7' | C7' | C8' | H8'B | 60.0° | 60.0° |
H7'A | C7' | C8' | H8' | 60.0° | 60.0° |
H7'A | C7' | C8' | H8'A | 60.0° | 180.0° |
H7'A | C7' | C8' | H8'B | 180.0° | 60.0° |
H8' | C8' | H8'A | H8'B | 120.0° | 119.9° |