IRF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C10 | doub | 1.30Å | 1.34Å | Aromatic |
| C2 | O2 | doub | 1.23Å | 1.26Å | |
| C2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| N3 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| N3 | H3 | sing | 1.02Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.27Å | |
| C4 | C4A | sing | 1.49Å | 1.49Å | Aromatic |
| C4A | N5 | doub | 1.29Å | 1.32Å | Aromatic |
| C4A | C10 | sing | 1.50Å | 1.46Å | Aromatic |
| N5 | C5A | sing | 1.40Å | 1.36Å | Aromatic |
| C5A | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C5A | C9A | doub | 1.41Å | 1.47Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | C7M | sing | 1.49Å | 1.53Å | |
| C7 | C8 | sing | 1.39Å | 1.50Å | Aromatic |
| C7M | H7M1 | sing | 1.10Å | 1.11Å | |
| C7M | H7M2 | sing | 1.10Å | 1.11Å | |
| C7M | H7M3 | sing | 1.10Å | 1.11Å | |
| C8 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | I8 | sing | 2.10Å | 2.13Å | |
| C9 | C9A | sing | 1.41Å | 1.37Å | Aromatic |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9A | N10 | sing | 1.41Å | 1.41Å | Aromatic |
| N10 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| N10 | C1' | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.53Å | 1.49Å | |
| C1' | H1'1 | sing | 1.09Å | 1.12Å | |
| C1' | H1'2 | sing | 1.09Å | 1.12Å | |
| C2' | O2' | sing | 1.43Å | 1.45Å | |
| C2' | C3' | sing | 1.54Å | 1.54Å | |
| C2' | H2' | sing | 1.10Å | 1.12Å | |
| O2' | HA | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.50Å | |
| C3' | H3' | sing | 1.10Å | 1.11Å | |
| O3' | HB | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.43Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | H4' | sing | 1.10Å | 1.12Å | |
| O4' | HC | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.42Å | 1.46Å | |
| C5' | H5'1 | sing | 1.10Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C10 | 122.0° | 123.5° |
| N1 | C2 | O2 | 117.1° | 121.2° |
| N1 | C2 | N3 | 123.7° | 119.6° |
| N1 | C10 | C4A | 115.9° | 117.6° |
| N1 | C10 | N10 | 122.7° | 124.9° |
| O2 | C2 | N3 | 119.2° | 119.2° |
| C2 | N3 | C4 | 119.9° | 126.0° |
| C2 | N3 | H3 | 120.1° | 116.9° |
| C4 | N3 | H3 | 120.0° | 117.1° |
| N3 | C4 | O4 | 120.8° | 127.5° |
| N3 | C4 | C4A | 118.0° | 111.9° |
| O4 | C4 | C4A | 121.1° | 120.6° |
| C4 | C4A | N5 | 121.3° | 116.7° |
| C4 | C4A | C10 | 119.9° | 121.4° |
| N5 | C4A | C10 | 118.8° | 122.0° |
| C4A | N5 | C5A | 123.6° | 119.7° |
| C4A | C10 | N10 | 120.3° | 117.5° |
| N5 | C5A | C6 | 119.4° | 117.5° |
| N5 | C5A | C9A | 119.8° | 122.2° |
| C6 | C5A | C9A | 120.4° | 120.3° |
| C5A | C6 | C7 | 120.2° | 120.8° |
| C5A | C6 | H6 | 119.9° | 119.4° |
| C5A | C9A | C9 | 121.3° | 117.9° |
| C5A | C9A | N10 | 117.7° | 118.5° |
| C7 | C6 | H6 | 119.9° | 119.8° |
| C6 | C7 | C7M | 119.9° | 117.8° |
| C6 | C7 | C8 | 118.1° | 119.6° |
| C7M | C7 | C8 | 122.0° | 122.7° |
| C7 | C7M | H7M1 | 119.9° | 110.2° |
| C7 | C7M | H7M2 | 108.5° | 111.1° |
| C7 | C7M | H7M3 | 108.5° | 111.2° |
| C7 | C8 | C9 | 122.2° | 120.1° |
| C7 | C8 | I8 | 118.2° | 121.8° |
| H7M1 | C7M | H7M2 | 108.4° | 108.6° |
| H7M1 | C7M | H7M3 | 108.5° | 108.6° |
| H7M2 | C7M | H7M3 | 101.5° | 107.0° |
| C9 | C8 | I8 | 119.5° | 118.0° |
| C8 | C9 | C9A | 117.5° | 121.3° |
| C8 | C9 | H9 | 121.3° | 118.6° |
| C9A | C9 | H9 | 121.3° | 120.1° |
| C9 | C9A | N10 | 120.1° | 123.6° |
| C9A | N10 | C10 | 118.5° | 120.1° |
| C9A | N10 | C1' | 114.0° | 118.2° |
| C10 | N10 | C1' | 123.0° | 121.7° |
| N10 | C1' | C2' | 110.3° | 110.0° |
| N10 | C1' | H1'1 | 111.9° | 108.4° |
| N10 | C1' | H1'2 | 111.9° | 108.1° |
| C2' | C1' | H1'1 | 111.9° | 110.8° |
| C2' | C1' | H1'2 | 111.9° | 111.2° |
| C1' | C2' | O2' | 106.9° | 108.5° |
| C1' | C2' | C3' | 106.6° | 112.6° |
| C1' | C2' | H2' | 108.2° | 108.7° |
| H1'1 | C1' | H1'2 | 98.5° | 108.3° |
| O2' | C2' | C3' | 118.2° | 109.3° |
| O2' | C2' | H2' | 108.3° | 107.7° |
| C2' | O2' | HA | 107.0° | 106.3° |
| C3' | C2' | H2' | 108.3° | 109.8° |
| C2' | C3' | O3' | 115.0° | 109.6° |
| C2' | C3' | C4' | 114.5° | 113.0° |
| C2' | C3' | H3' | 107.4° | 109.7° |
| O3' | C3' | C4' | 104.8° | 108.7° |
| O3' | C3' | H3' | 107.4° | 107.9° |
| C3' | O3' | HB | 114.9° | 106.5° |
| C4' | C3' | H3' | 107.4° | 107.8° |
| C3' | C4' | O4' | 102.1° | 109.0° |
| C3' | C4' | C5' | 106.0° | 112.4° |
| C3' | C4' | H4' | 114.0° | 110.2° |
| O4' | C4' | C5' | 105.7° | 108.5° |
| O4' | C4' | H4' | 114.0° | 106.9° |
| C4' | O4' | HC | 102.1° | 106.4° |
| C5' | C4' | H4' | 114.0° | 109.7° |
| C4' | C5' | O5' | 103.6° | 108.8° |
| C4' | C5' | H5'1 | 114.4° | 111.4° |
| C4' | C5' | H5'2 | 114.4° | 111.0° |
| O5' | C5' | H5'1 | 114.4° | 107.6° |
| O5' | C5' | H5'2 | 114.4° | 108.1° |
| C5' | O5' | H5' | 103.6° | 106.6° |
| H5'1 | C5' | H5'2 | 96.0° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | O2 | N3 | 178.5° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| N1 | C2 | N3 | H3 | 179.9° | 180.0° |
| C2 | N1 | C10 | C4A | 9.4° | 0.1° |
| C2 | N1 | C10 | N10 | 177.4° | 180.0° |
| C10 | N1 | C2 | O2 | 176.0° | 179.8° |
| C10 | N1 | C2 | N3 | 5.6° | 0.1° |
| N1 | C10 | C4A | C4 | 8.5° | 0.0° |
| N1 | C10 | C4A | N5 | 170.5° | 179.9° |
| N1 | C10 | C4A | N10 | 168.3° | 179.9° |
| N1 | C10 | N10 | C9A | 176.9° | 179.9° |
| N1 | C10 | N10 | C1' | 28.4° | 0.1° |
| O2 | C2 | N3 | C4 | 178.3° | 179.9° |
| O2 | C2 | N3 | H3 | 1.7° | 0.1° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 178.0° | 180.0° |
| C2 | N3 | C4 | C4A | 0.8° | 0.0° |
| N3 | C4 | O4 | C4A | 178.7° | 180.0° |
| N3 | C4 | C4A | N5 | 175.4° | 180.0° |
| N3 | C4 | C4A | C10 | 3.5° | 0.0° |
| H3 | N3 | C4 | O4 | 2.0° | 0.0° |
| H3 | N3 | C4 | C4A | 179.2° | 179.9° |
| O4 | C4 | C4A | N5 | 3.3° | 0.0° |
| O4 | C4 | C4A | C10 | 177.7° | 180.0° |
| C4 | C4A | N5 | C10 | 178.9° | 180.0° |
| C4 | C4A | N5 | C5A | 179.5° | 180.0° |
| C4 | C4A | C10 | N10 | 176.8° | 180.0° |
| C4A | N5 | C5A | C6 | 177.6° | 180.0° |
| C4A | N5 | C5A | C9A | 3.9° | 0.0° |
| N5 | C4A | C10 | N10 | 2.1° | 0.0° |
| C10 | C4A | N5 | C5A | 0.6° | 0.0° |
| C4A | C10 | N10 | C9A | 9.4° | 0.0° |
| C4A | C10 | N10 | C1' | 164.1° | 180.0° |
| N5 | C5A | C6 | C9A | 173.6° | 180.0° |
| N5 | C5A | C6 | C7 | 179.0° | 180.0° |
| N5 | C5A | C6 | H6 | 1.1° | 0.0° |
| N5 | C5A | C9A | C9 | 179.8° | 180.0° |
| N5 | C5A | C9A | N10 | 11.1° | 0.0° |
| C5A | C6 | C7 | H6 | 180.0° | 180.0° |
| C5A | C6 | C7 | C7M | 178.4° | 179.9° |
| C5A | C6 | C7 | C8 | 2.2° | 0.0° |
| C6 | C5A | C9A | C9 | 6.7° | 0.0° |
| C6 | C5A | C9A | N10 | 175.4° | 180.0° |
| C9A | C5A | C6 | C7 | 5.4° | 0.0° |
| C9A | C5A | C6 | H6 | 174.6° | 180.0° |
| C5A | C9A | C9 | C8 | 4.4° | 0.0° |
| C5A | C9A | C9 | N10 | 168.4° | 180.0° |
| C5A | C9A | C9 | H9 | 175.6° | 180.0° |
| C5A | C9A | N10 | C10 | 13.5° | 0.0° |
| C5A | C9A | N10 | C1' | 170.4° | 180.0° |
| C6 | C7 | C7M | C8 | 179.3° | 179.9° |
| C6 | C7 | C7M | H7M1 | 180.0° | 38.3° |
| C6 | C7 | C7M | H7M2 | 54.8° | 158.8° |
| C6 | C7 | C7M | H7M3 | 54.7° | 82.2° |
| C6 | C7 | C8 | C9 | 0.0° | 0.1° |
| C6 | C7 | C8 | I8 | 177.8° | 180.0° |
| H6 | C6 | C7 | C7M | 1.5° | 0.1° |
| H6 | C6 | C7 | C8 | 177.8° | 180.0° |
| C7 | C7M | H7M1 | H7M2 | 125.2° | 122.0° |
| C7 | C7M | H7M1 | H7M3 | 125.3° | 122.0° |
| C7 | C7M | H7M2 | H7M3 | 114.1° | 121.5° |
| C7M | C7 | C8 | C9 | 179.4° | 179.9° |
| C7M | C7 | C8 | I8 | 1.6° | 0.1° |
| C8 | C7 | C7M | H7M1 | 0.6° | 141.8° |
| C8 | C7 | C7M | H7M2 | 124.6° | 21.3° |
| C8 | C7 | C7M | H7M3 | 125.9° | 97.7° |
| C7 | C8 | C9 | I8 | 177.8° | 179.9° |
| C7 | C8 | C9 | C9A | 1.2° | 0.1° |
| C7 | C8 | C9 | H9 | 178.8° | 180.0° |
| H7M1 | C7M | H7M2 | H7M3 | 114.2° | 117.1° |
| C8 | C9 | C9A | H9 | 180.0° | 180.0° |
| C8 | C9 | C9A | N10 | 172.8° | 180.0° |
| I8 | C8 | C9 | C9A | 176.6° | 180.0° |
| I8 | C8 | C9 | H9 | 3.4° | 0.0° |
| C9 | C9A | N10 | C10 | 177.6° | 180.0° |
| C9 | C9A | N10 | C1' | 20.8° | 0.0° |
| H9 | C9 | C9A | N10 | 7.2° | 0.0° |
| C9A | N10 | C10 | C1' | 154.7° | 180.0° |
| C9A | N10 | C1' | C2' | 92.4° | 90.0° |
| C9A | N10 | C1' | H1'1 | 32.9° | 148.8° |
| C9A | N10 | C1' | H1'2 | 142.4° | 31.6° |
| C10 | N10 | C1' | C2' | 63.4° | 90.0° |
| C10 | N10 | C1' | H1'1 | 171.4° | 31.2° |
| C10 | N10 | C1' | H1'2 | 61.9° | 148.4° |
| N10 | C1' | C2' | H1'1 | 125.2° | 119.8° |
| N10 | C1' | C2' | H1'2 | 125.2° | 119.7° |
| N10 | C1' | H1'1 | H1'2 | 117.8° | 117.1° |
| N10 | C1' | C2' | O2' | 104.6° | 58.7° |
| N10 | C1' | C2' | C3' | 128.1° | 179.8° |
| N10 | C1' | C2' | H2' | 11.8° | 58.2° |
| C2' | C1' | H1'1 | H1'2 | 117.8° | 122.2° |
| C1' | C2' | O2' | C3' | 120.1° | 123.1° |
| C1' | C2' | O2' | H2' | 116.4° | 117.6° |
| C1' | C2' | C3' | H2' | 116.2° | 121.4° |
| C1' | C2' | O2' | HA | 180.0° | 79.7° |
| C1' | C2' | C3' | O3' | 153.8° | 58.4° |
| C1' | C2' | C3' | C4' | 84.8° | 179.7° |
| C1' | C2' | C3' | H3' | 34.4° | 60.0° |
| H1'1 | C1' | C2' | O2' | 20.6° | 61.1° |
| H1'1 | C1' | C2' | C3' | 106.7° | 60.0° |
| H1'1 | C1' | C2' | H2' | 137.1° | 178.0° |
| H1'2 | C1' | C2' | O2' | 130.2° | 178.4° |
| H1'2 | C1' | C2' | C3' | 2.9° | 60.5° |
| H1'2 | C1' | C2' | H2' | 113.4° | 61.5° |
| O2' | C2' | C3' | H2' | 123.5° | 118.0° |
| O2' | C2' | C3' | O3' | 85.9° | 179.0° |
| O2' | C2' | C3' | C4' | 35.5° | 59.6° |
| O2' | C2' | C3' | H3' | 154.7° | 60.7° |
| C3' | C2' | O2' | HA | 59.9° | 157.2° |
| C2' | C3' | O3' | C4' | 126.6° | 123.9° |
| C2' | C3' | O3' | H3' | 119.4° | 119.4° |
| C2' | C3' | C4' | H3' | 119.2° | 121.4° |
| C2' | C3' | O3' | HB | 180.0° | 127.5° |
| C2' | C3' | C4' | O4' | 96.3° | 179.0° |
| C2' | C3' | C4' | C5' | 153.2° | 58.6° |
| C2' | C3' | C4' | H4' | 27.0° | 64.0° |
| H2' | C2' | O2' | HA | 63.5° | 37.9° |
| H2' | C2' | C3' | O3' | 37.6° | 63.0° |
| H2' | C2' | C3' | C4' | 159.0° | 58.4° |
| H2' | C2' | C3' | H3' | 81.9° | 178.7° |
| O3' | C3' | C4' | H3' | 114.0° | 116.7° |
| O3' | C3' | C4' | O4' | 136.8° | 57.0° |
| O3' | C3' | C4' | C5' | 26.4° | 63.3° |
| O3' | C3' | C4' | H4' | 99.8° | 174.1° |
| C4' | C3' | O3' | HB | 53.4° | 3.6° |
| C3' | C4' | O4' | C5' | 110.6° | 122.7° |
| C3' | C4' | O4' | H4' | 123.4° | 119.1° |
| C3' | C4' | C5' | H4' | 126.2° | 122.9° |
| C3' | C4' | O4' | HC | 180.0° | 152.1° |
| C3' | C4' | C5' | O5' | 92.4° | 178.5° |
| C3' | C4' | C5' | H5'1 | 32.9° | 60.0° |
| C3' | C4' | C5' | H5'2 | 142.3° | 62.6° |
| H3' | C3' | O3' | HB | 60.5° | 113.1° |
| H3' | C3' | C4' | O4' | 22.9° | 59.7° |
| H3' | C3' | C4' | C5' | 87.6° | 180.0° |
| H3' | C3' | C4' | H4' | 146.2° | 57.4° |
| O4' | C4' | C5' | H4' | 126.0° | 116.4° |
| O4' | C4' | C5' | O5' | 15.5° | 60.8° |
| O4' | C4' | C5' | H5'1 | 140.7° | 179.3° |
| O4' | C4' | C5' | H5'2 | 109.8° | 58.1° |
| C5' | C4' | O4' | HC | 69.3° | 85.2° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.9° |
| C4' | C5' | O5' | H5'2 | 125.2° | 120.7° |
| C4' | C5' | H5'1 | H5'2 | 120.3° | 123.4° |
| C4' | C5' | O5' | H5' | 180.0° | 13.6° |
| H4' | C4' | O4' | HC | 56.7° | 33.0° |
| H4' | C4' | C5' | O5' | 141.5° | 55.6° |
| H4' | C4' | C5' | H5'1 | 93.3° | 62.9° |
| H4' | C4' | C5' | H5'2 | 16.2° | 174.5° |
| O5' | C5' | H5'1 | H5'2 | 120.3° | 117.4° |
| H5'1 | C5' | O5' | H5' | 54.7° | 107.3° |
| H5'2 | C5' | O5' | H5' | 54.7° | 134.2° |
