IF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2' | sing | 1.53Å | 1.54Å | |
| C2' | F1 | sing | 1.40Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C4' | sing | 1.55Å | 1.51Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| O5' | PA | sing | 1.61Å | 1.60Å | |
| PA | O1A | doub | 1.48Å | 1.51Å | |
| PA | S2A | sing | 2.12Å | 1.96Å | |
| PA | O3A | sing | 1.61Å | 1.65Å | |
| O3A | PB | sing | 1.61Å | 1.65Å | |
| PB | O1B | doub | 1.48Å | 1.52Å | |
| PB | O3B | sing | 1.61Å | 1.52Å | |
| PB | O2B | sing | 1.61Å | 1.47Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | N9 | sing | 1.46Å | 1.44Å | |
| N9 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| N7 | C11 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.41Å | 1.41Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.40Å | |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | N2 | sing | 1.37Å | 1.36Å | |
| C2 | N3' | doub | 1.32Å | 1.34Å | |
| N3' | C4 | sing | 1.34Å | 1.37Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C11 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| S2A | HSA2 | sing | 1.35Å | 1.30Å | |
| O3B | HOB3 | sing | 0.97Å | 0.95Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2' | F1 | 109.4° | 110.4° |
| C1 | C2' | C3' | 119.3° | 110.5° |
| C1 | C2' | C1' | 113.9° | 110.5° |
| C2' | C1 | H2 | 109.5° | 109.5° |
| C2' | C1 | H3 | 109.5° | 109.5° |
| C2' | C1 | H1 | 109.4° | 109.5° |
| F1 | C2' | C3' | 107.9° | 110.5° |
| F1 | C2' | C1' | 103.4° | 110.6° |
| C2' | C3' | O3' | 112.5° | 110.9° |
| C2' | C3' | C4' | 99.4° | 102.1° |
| C3' | C2' | C1' | 101.5° | 104.2° |
| C2' | C3' | H3' | 112.0° | 111.0° |
| O3' | C3' | C4' | 105.7° | 110.9° |
| O3' | C3' | H3' | 113.9° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | C5' | 115.5° | 110.7° |
| C3' | C4' | O4' | 103.8° | 103.5° |
| C3' | C4' | H4' | 108.5° | 110.8° |
| C4' | C3' | H3' | 112.2° | 110.9° |
| C4' | C5' | O5' | 111.0° | 109.5° |
| C5' | C4' | O4' | 110.7° | 110.6° |
| C5' | C4' | H4' | 108.7° | 110.6° |
| C4' | C5' | H5' | 109.1° | 109.5° |
| C4' | C5' | H5'' | 109.1° | 109.5° |
| C5' | O5' | PA | 115.5° | 123.0° |
| O5' | C5' | H5' | 109.1° | 109.5° |
| O5' | C5' | H5'' | 109.1° | 109.5° |
| O5' | PA | O1A | 99.0° | 109.5° |
| O5' | PA | S2A | 98.0° | 109.4° |
| O5' | PA | O3A | 100.9° | 109.5° |
| O1A | PA | S2A | 114.5° | 109.5° |
| O1A | PA | O3A | 113.8° | 109.5° |
| S2A | PA | O3A | 124.0° | 109.4° |
| PA | S2A | HSA2 | 102.0° | 103.0° |
| PA | O3A | PB | 135.2° | 134.0° |
| O3A | PB | O1B | 99.6° | 109.5° |
| O3A | PB | O3B | 94.3° | 109.5° |
| O3A | PB | O2B | 120.7° | 109.4° |
| O1B | PB | O3B | 122.3° | 109.5° |
| O1B | PB | O2B | 113.6° | 109.5° |
| O3B | PB | O2B | 105.8° | 109.4° |
| PB | O3B | HOB3 | 109.5° | 114.0° |
| PB | O2B | HOB2 | 109.5° | 114.0° |
| C4' | O4' | C1' | 108.7° | 107.0° |
| O4' | C4' | H4' | 109.4° | 110.6° |
| O4' | C1' | N9 | 105.4° | 109.9° |
| O4' | C1' | C2' | 106.4° | 107.3° |
| O4' | C1' | H1' | 109.7° | 110.0° |
| C1' | N9 | C5 | 127.7° | 126.2° |
| N9 | C1' | C2' | 117.5° | 109.9° |
| C1' | N9 | C4 | 124.0° | 126.3° |
| N9 | C1' | H1' | 109.4° | 109.9° |
| N9 | C5 | N7 | 112.6° | 109.8° |
| C5 | N9 | C4 | 108.2° | 107.5° |
| N9 | C5 | H8 | 123.7° | 125.1° |
| C5 | N7 | C11 | 103.2° | 109.3° |
| N7 | C5 | H8 | 123.7° | 125.1° |
| N7 | C11 | C6 | 128.8° | 134.1° |
| N7 | C11 | C4 | 112.3° | 107.2° |
| C11 | C6 | O6 | 127.8° | 120.8° |
| C11 | C6 | N1 | 111.3° | 118.3° |
| C6 | C11 | C4 | 118.8° | 118.6° |
| O6 | C6 | N1 | 120.9° | 120.9° |
| C6 | N1 | C2 | 125.9° | 120.3° |
| C6 | N1 | HN1 | 117.1° | 119.8° |
| N1 | C2 | N2 | 116.4° | 119.1° |
| N1 | C2 | N3' | 124.2° | 121.9° |
| C2 | N1 | HN1 | 117.1° | 119.8° |
| N2 | C2 | N3' | 119.4° | 119.1° |
| C2 | N2 | HN22 | 120.0° | 120.0° |
| C2 | N2 | HN21 | 120.0° | 120.0° |
| C2 | N3' | C4 | 109.9° | 121.1° |
| N3' | C4 | N9 | 126.5° | 134.2° |
| N3' | C4 | C11 | 129.8° | 119.7° |
| C2' | C1' | H1' | 108.2° | 109.9° |
| N9 | C4 | C11 | 103.7° | 106.1° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| HN22 | N2 | HN21 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2' | F1 | C3' | 131.3° | 122.5° |
| C1 | C2' | F1 | C1' | 121.7° | 122.6° |
| C1 | C2' | C3' | C1' | 126.0° | 118.7° |
| C1 | C2' | C3' | O3' | 81.3° | 102.2° |
| C1 | C2' | C3' | C4' | 167.2° | 139.6° |
| C1 | C2' | C1' | O4' | 155.8° | 116.7° |
| C1 | C2' | C1' | N9 | 38.0° | 2.8° |
| C1 | C2' | C1' | H1' | 86.4° | 123.8° |
| C1 | C2' | C3' | H3' | 48.5° | 21.4° |
| C2' | C1 | H2 | H3 | 120.0° | 120.0° |
| C2' | C1 | H2 | H1 | 120.0° | 120.0° |
| C2' | C1 | H3 | H1 | 120.0° | 120.0° |
| F1 | C2' | C3' | C1' | 108.3° | 118.8° |
| F1 | C2' | C3' | O3' | 44.4° | 20.2° |
| F1 | C2' | C3' | C4' | 67.1° | 98.0° |
| F1 | C2' | C1' | O4' | 85.6° | 120.7° |
| F1 | C2' | C1' | N9 | 156.7° | 119.8° |
| F1 | C2' | C1' | H1' | 32.3° | 1.2° |
| F1 | C2' | C3' | H3' | 174.2° | 143.9° |
| F1 | C2' | C1 | H2 | 180.0° | 60.7° |
| F1 | C2' | C1 | H3 | 60.0° | 179.3° |
| F1 | C2' | C1 | H1 | 60.0° | 59.3° |
| C2' | C3' | O3' | C4' | 107.5° | 112.7° |
| C2' | C3' | O3' | H3' | 128.8° | 123.7° |
| C2' | C3' | C4' | H3' | 118.6° | 118.2° |
| C2' | C3' | C4' | C5' | 164.2° | 155.5° |
| C2' | C3' | C4' | O4' | 42.8° | 37.0° |
| C3' | C2' | C1' | O4' | 26.2° | 2.0° |
| C3' | C2' | C1' | N9 | 91.5° | 121.5° |
| C2' | C3' | C4' | H4' | 73.5° | 81.5° |
| C3' | C2' | C1' | H1' | 144.1° | 117.5° |
| C3' | C2' | C1 | H2 | 55.0° | 176.8° |
| C3' | C2' | C1 | H3 | 65.0° | 56.8° |
| C3' | C2' | C1 | H1 | 175.1° | 63.2° |
| C2' | C3' | O3' | HO3' | 180.0° | 174.2° |
| O3' | C3' | C4' | H3' | 124.7° | 123.5° |
| O3' | C3' | C4' | C5' | 79.1° | 86.3° |
| O3' | C3' | C4' | O4' | 159.6° | 155.2° |
| O3' | C3' | C2' | C1' | 152.7° | 139.1° |
| O3' | C3' | C4' | H4' | 43.2° | 36.7° |
| C3' | C4' | C5' | O4' | 117.6° | 114.1° |
| C3' | C4' | C5' | H4' | 122.2° | 123.1° |
| C3' | C4' | C5' | O5' | 69.2° | 179.5° |
| C3' | C4' | O4' | H4' | 115.7° | 118.6° |
| C3' | C4' | O4' | C1' | 27.8° | 40.0° |
| C4' | C3' | C2' | C1' | 41.2° | 20.9° |
| C3' | C4' | C5' | H5' | 170.6° | 59.4° |
| C3' | C4' | C5' | H5'' | 51.0° | 60.5° |
| C4' | C3' | O3' | HO3' | 72.4° | 61.5° |
| C4' | C5' | O5' | H5' | 120.2° | 120.0° |
| C4' | C5' | O5' | H5'' | 120.2° | 120.0° |
| C4' | C5' | O5' | PA | 139.4° | 180.0° |
| C5' | C4' | O4' | H4' | 119.7° | 122.8° |
| C5' | C4' | O4' | C1' | 152.3° | 158.6° |
| C4' | C5' | H5' | H5'' | 119.3° | 120.0° |
| C5' | C4' | C3' | H3' | 45.6° | 37.3° |
| C5' | O5' | PA | O1A | 60.3° | 55.0° |
| C5' | O5' | PA | S2A | 176.8° | 65.0° |
| C5' | O5' | PA | O3A | 56.2° | 175.0° |
| O5' | C5' | C4' | O4' | 48.4° | 66.4° |
| O5' | C5' | C4' | H4' | 168.6° | 56.4° |
| O5' | C5' | H5' | H5'' | 119.3° | 120.0° |
| O5' | PA | O1A | S2A | 103.1° | 120.0° |
| O5' | PA | O1A | O3A | 106.2° | 120.0° |
| O5' | PA | S2A | O3A | 108.9° | 120.0° |
| O5' | PA | O3A | PB | 108.9° | 180.0° |
| PA | O5' | C5' | H5' | 100.4° | 60.0° |
| PA | O5' | C5' | H5'' | 19.2° | 59.9° |
| O5' | PA | S2A | HSA2 | 103.7° | 60.0° |
| O1A | PA | S2A | O3A | 147.4° | 120.0° |
| O1A | PA | O3A | PB | 3.9° | 59.9° |
| O1A | PA | S2A | HSA2 | 0.0° | 180.0° |
| S2A | PA | O3A | PB | 143.7° | 60.1° |
| PA | O3A | PB | O1B | 131.8° | 40.1° |
| PA | O3A | PB | O3B | 8.1° | 80.0° |
| PA | O3A | PB | O2B | 103.2° | 160.1° |
| O3A | PA | S2A | HSA2 | 147.4° | 60.0° |
| O3A | PB | O1B | O3B | 101.4° | 120.0° |
| O3A | PB | O1B | O2B | 129.7° | 120.0° |
| O3A | PB | O3B | O2B | 123.6° | 120.0° |
| O3A | PB | O3B | HOB3 | 10.4° | 60.0° |
| O3A | PB | O2B | HOB2 | 118.1° | 180.0° |
| O1B | PB | O3B | O2B | 132.2° | 120.0° |
| O1B | PB | O3B | HOB3 | 114.6° | 180.0° |
| O1B | PB | O2B | HOB2 | 0.0° | 60.0° |
| O3B | PB | O2B | HOB2 | 136.9° | 60.0° |
| O2B | PB | O3B | HOB3 | 113.2° | 60.0° |
| C4' | O4' | C1' | N9 | 126.1° | 145.9° |
| C4' | O4' | C1' | C2' | 0.7° | 26.5° |
| O4' | C4' | C5' | H5' | 71.8° | 173.5° |
| O4' | C4' | C5' | H5'' | 168.6° | 53.6° |
| C4' | O4' | C1' | H1' | 116.1° | 93.0° |
| O4' | C4' | C3' | H3' | 75.7° | 81.3° |
| O4' | C1' | N9 | C2' | 118.3° | 117.9° |
| O4' | C1' | N9 | H1' | 117.9° | 121.1° |
| O4' | C1' | N9 | C5 | 39.3° | 23.1° |
| O4' | C1' | C2' | H1' | 117.8° | 119.5° |
| O4' | C1' | N9 | C4 | 136.8° | 156.8° |
| C1' | O4' | C4' | H4' | 87.9° | 78.6° |
| C1' | N9 | C5 | C4 | 176.5° | 179.9° |
| C1' | N9 | C5 | N7 | 175.2° | 179.9° |
| C1' | N9 | C4 | N3' | 4.6° | 0.3° |
| N9 | C1' | C2' | H1' | 124.4° | 121.0° |
| C1' | N9 | C4 | C11 | 176.5° | 179.9° |
| C1' | N9 | C5 | H8 | 4.8° | 0.1° |
| N9 | C5 | N7 | H8 | 180.0° | 180.0° |
| N9 | C5 | N7 | C11 | 1.8° | 0.0° |
| C5 | N9 | C4 | N3' | 178.7° | 179.7° |
| C5 | N9 | C1' | C2' | 79.0° | 94.8° |
| C5 | N9 | C4 | C11 | 0.2° | 0.0° |
| C5 | N9 | C1' | H1' | 157.2° | 144.2° |
| C5 | N7 | C11 | C6 | 178.3° | 180.0° |
| N7 | C5 | N9 | C4 | 1.3° | 0.0° |
| C5 | N7 | C11 | C4 | 1.7° | 0.0° |
| N7 | C11 | C6 | C4 | 176.5° | 180.0° |
| N7 | C11 | C6 | O6 | 0.6° | 0.0° |
| N7 | C11 | C6 | N1 | 179.2° | 180.0° |
| N7 | C11 | C4 | N3' | 179.7° | 179.7° |
| N7 | C11 | C4 | N9 | 0.9° | 0.0° |
| C11 | N7 | C5 | H8 | 178.2° | 180.0° |
| C11 | C6 | O6 | N1 | 178.4° | 180.0° |
| C11 | C6 | N1 | C2 | 2.4° | 0.0° |
| C6 | C11 | C4 | N3' | 3.2° | 0.3° |
| C6 | C11 | C4 | N9 | 178.0° | 180.0° |
| C11 | C6 | N1 | HN1 | 177.5° | 180.0° |
| O6 | C6 | N1 | C2 | 176.2° | 179.9° |
| O6 | C6 | C11 | C4 | 175.9° | 180.0° |
| O6 | C6 | N1 | HN1 | 3.8° | 0.1° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 178.8° | 179.8° |
| C6 | N1 | C2 | N3' | 2.3° | 0.2° |
| N1 | C6 | C11 | C4 | 2.7° | 0.0° |
| N1 | C2 | N2 | N3' | 179.0° | 179.6° |
| N1 | C2 | N3' | C4 | 1.9° | 0.4° |
| N1 | C2 | N2 | HN22 | 179.0° | 179.6° |
| N1 | C2 | N2 | HN21 | 1.0° | 0.4° |
| N2 | C2 | N3' | C4 | 179.2° | 180.0° |
| N2 | C2 | N1 | HN1 | 1.2° | 0.2° |
| C2 | N2 | HN22 | HN21 | 180.0° | 180.0° |
| C2 | N3' | C4 | N9 | 178.9° | 179.9° |
| C2 | N3' | C4 | C11 | 2.6° | 0.5° |
| N3' | C2 | N1 | HN1 | 177.7° | 179.9° |
| N3' | C2 | N2 | HN22 | 0.0° | 0.0° |
| N3' | C2 | N2 | HN21 | 180.0° | 180.0° |
| N3' | C4 | N9 | C11 | 178.9° | 179.7° |
| C2' | C1' | N9 | C4 | 105.0° | 85.3° |
| C1' | C2' | C3' | H3' | 77.5° | 97.3° |
| C1' | C2' | C1 | H2 | 64.9° | 62.0° |
| C1' | C2' | C1 | H3 | 175.1° | 58.0° |
| C1' | C2' | C1 | H1 | 55.2° | 178.0° |
| C4 | N9 | C1' | H1' | 18.8° | 35.7° |
| C4 | N9 | C5 | H8 | 178.7° | 180.0° |
| H4' | C4' | C5' | H5' | 48.4° | 63.7° |
| H4' | C4' | C5' | H5'' | 71.2° | 176.4° |
| H4' | C4' | C3' | H3' | 167.9° | 160.2° |
| H3' | C3' | O3' | HO3' | 51.2° | 62.1° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
