ZIR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.29Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.31Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| N10 | C6 | sing | 1.38Å | 1.30Å | |
| N7 | C8 | doub | 1.30Å | 1.29Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C1' | sing | 1.46Å | 1.56Å | |
| C2' | C1' | sing | 1.54Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.45Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C12 | C11 | sing | 1.51Å | 1.37Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.31Å | 1.38Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| O2' | C2' | sing | 1.43Å | 1.40Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | C4' | sing | 1.55Å | 1.49Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 118.8° | 121.2° |
| N1 | C6 | C5 | 122.2° | 118.4° |
| N1 | C6 | N10 | 117.1° | 120.8° |
| N1 | C2 | N3 | 120.0° | 122.5° |
| N1 | C2 | H2 | 120.0° | 118.8° |
| N3 | C2 | H2 | 120.0° | 118.8° |
| C2 | N3 | C4 | 125.1° | 120.6° |
| N3 | C4 | C5 | 116.1° | 119.1° |
| N3 | C4 | N9 | 135.7° | 134.9° |
| C5 | C4 | N9 | 108.3° | 106.0° |
| C4 | C5 | N7 | 106.8° | 107.1° |
| C4 | C5 | C6 | 117.8° | 118.2° |
| C4 | N9 | C8 | 106.1° | 107.4° |
| C4 | N9 | C1' | 128.8° | 126.3° |
| N7 | C5 | C6 | 135.4° | 134.7° |
| C5 | N7 | C8 | 107.4° | 109.4° |
| C5 | C6 | N10 | 120.7° | 120.7° |
| C6 | N10 | C11 | 121.5° | 120.0° |
| C6 | N10 | HN10 | 105.6° | 120.0° |
| N7 | C8 | N9 | 111.4° | 110.0° |
| N7 | C8 | H8 | 124.3° | 125.0° |
| N9 | C8 | H8 | 124.3° | 125.0° |
| C8 | N9 | C1' | 125.0° | 126.3° |
| N9 | C1' | C2' | 122.3° | 110.4° |
| N9 | C1' | O4' | 110.0° | 110.4° |
| N9 | C1' | H1' | 97.6° | 110.4° |
| C2' | C1' | O4' | 101.2° | 104.8° |
| C2' | C1' | H1' | 107.0° | 110.4° |
| C1' | C2' | O2' | 108.8° | 110.5° |
| C1' | C2' | C3' | 105.1° | 104.1° |
| C1' | C2' | H2' | 114.3° | 110.5° |
| O4' | C1' | H1' | 120.0° | 110.4° |
| C1' | O4' | C4' | 113.1° | 105.3° |
| C11 | N10 | HN10 | 105.7° | 120.0° |
| N10 | C11 | C12 | 113.9° | 109.5° |
| N10 | C11 | H11 | 108.0° | 109.5° |
| N10 | C11 | H11A | 108.0° | 109.4° |
| C12 | C11 | H11 | 108.0° | 109.5° |
| C12 | C11 | H11A | 108.0° | 109.4° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| H11 | C11 | H11A | 110.9° | 109.5° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | C14 | 121.9° | 120.0° |
| C12 | C13 | C15 | 116.2° | 120.0° |
| C14 | C13 | C15 | 121.9° | 120.0° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.4° |
| C13 | C14 | H14B | 109.4° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.4° |
| C13 | C15 | H15A | 109.4° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.4° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| O2' | C2' | C3' | 113.9° | 110.5° |
| O2' | C2' | H2' | 105.7° | 110.6° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C3' | C2' | H2' | 109.3° | 110.5° |
| C2' | C3' | C4' | 100.1° | 104.0° |
| C2' | C3' | O3' | 115.9° | 110.5° |
| C2' | C3' | H3' | 111.4° | 110.5° |
| C4' | C3' | O3' | 108.8° | 110.6° |
| C4' | C3' | H3' | 118.2° | 110.5° |
| C3' | C4' | C5' | 106.5° | 110.4° |
| C3' | C4' | O4' | 105.4° | 104.8° |
| C3' | C4' | H4' | 114.7° | 110.3° |
| O3' | C3' | H3' | 103.1° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C5' | C4' | O4' | 111.8° | 110.4° |
| C5' | C4' | H4' | 108.7° | 110.4° |
| C4' | C5' | O5' | 108.5° | 109.5° |
| C4' | C5' | H5' | 109.8° | 109.5° |
| C4' | C5' | H5'A | 109.8° | 109.5° |
| O4' | C4' | H4' | 109.7° | 110.4° |
| O5' | C5' | H5' | 109.8° | 109.5° |
| O5' | C5' | H5'A | 109.8° | 109.4° |
| C5' | O5' | HO5' | 109.5° | 114.1° |
| H5' | C5' | H5'A | 109.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | N3 | 2.6° | 0.1° |
| C6 | N1 | C2 | H2 | 177.5° | 180.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.0° |
| N1 | C6 | C5 | N7 | 178.5° | 180.0° |
| N1 | C6 | C5 | N10 | 178.6° | 180.0° |
| N1 | C6 | N10 | C11 | 41.3° | 0.0° |
| N1 | C6 | N10 | HN10 | 161.3° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.9° | 0.0° |
| C2 | N1 | C6 | C5 | 1.6° | 0.1° |
| C2 | N1 | C6 | N10 | 177.1° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | N9 | 179.6° | 180.0° |
| H2 | C2 | N3 | C4 | 178.1° | 180.0° |
| N3 | C4 | C5 | N9 | 179.7° | 180.0° |
| N3 | C4 | C5 | N7 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 1.0° | 0.0° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N3 | C4 | N9 | C1' | 1.6° | 0.0° |
| C4 | C5 | N7 | C6 | 178.3° | 180.0° |
| C4 | C5 | C6 | N10 | 178.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.9° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C1' | 178.1° | 179.9° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| N9 | C4 | C5 | C6 | 179.3° | 180.0° |
| C4 | N9 | C8 | N7 | 0.5° | 0.0° |
| C4 | N9 | C8 | C1' | 178.2° | 180.0° |
| C4 | N9 | C8 | H8 | 179.5° | 180.0° |
| C4 | N9 | C1' | C2' | 122.0° | 88.2° |
| C4 | N9 | C1' | O4' | 119.6° | 156.4° |
| C4 | N9 | C1' | H1' | 6.3° | 34.2° |
| N7 | C5 | C6 | N10 | 2.9° | 0.0° |
| C5 | N7 | C8 | N9 | 0.9° | 0.0° |
| C5 | N7 | C8 | H8 | 179.1° | 180.0° |
| C6 | C5 | N7 | C8 | 179.2° | 180.0° |
| C5 | C6 | N10 | C11 | 137.4° | 180.0° |
| C5 | C6 | N10 | HN10 | 17.4° | 0.0° |
| C6 | N10 | C11 | HN10 | 120.0° | 180.0° |
| C6 | N10 | C11 | C12 | 150.9° | 180.0° |
| C6 | N10 | C11 | H11 | 89.0° | 60.0° |
| C6 | N10 | C11 | H11A | 30.9° | 60.1° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 178.7° | 179.9° |
| C8 | N9 | C1' | C2' | 60.1° | 91.9° |
| C8 | N9 | C1' | O4' | 58.2° | 23.5° |
| C8 | N9 | C1' | H1' | 175.9° | 145.8° |
| H8 | C8 | N9 | C1' | 1.3° | 0.0° |
| N9 | C1' | C2' | O4' | 122.6° | 118.8° |
| N9 | C1' | C2' | H1' | 111.0° | 122.3° |
| N9 | C1' | O4' | H1' | 112.0° | 122.3° |
| N9 | C1' | C2' | O2' | 88.5° | 98.6° |
| N9 | C1' | C2' | C3' | 149.2° | 142.8° |
| N9 | C1' | C2' | H2' | 29.4° | 24.2° |
| N9 | C1' | O4' | C4' | 135.5° | 159.3° |
| C2' | C1' | O4' | H1' | 117.3° | 118.9° |
| C1' | C2' | O2' | C3' | 116.8° | 114.6° |
| C1' | C2' | O2' | H2' | 123.2° | 122.7° |
| C1' | C2' | C3' | H2' | 123.2° | 118.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 38.1° | 0.0° |
| C1' | C2' | C3' | O3' | 78.7° | 118.7° |
| C1' | C2' | C3' | H3' | 163.9° | 118.6° |
| C2' | C1' | O4' | C4' | 4.8° | 40.5° |
| O4' | C1' | C2' | O2' | 149.0° | 142.6° |
| O4' | C1' | C2' | C3' | 26.7° | 24.0° |
| O4' | C1' | C2' | H2' | 93.2° | 94.6° |
| C1' | O4' | C4' | C3' | 19.8° | 40.5° |
| C1' | O4' | C4' | C5' | 95.5° | 159.3° |
| C1' | O4' | C4' | H4' | 143.8° | 78.3° |
| H1' | C1' | C2' | O2' | 22.5° | 23.8° |
| H1' | C1' | C2' | C3' | 99.8° | 94.9° |
| H1' | C1' | C2' | H2' | 140.4° | 146.5° |
| H1' | C1' | O4' | C4' | 112.6° | 78.4° |
| N10 | C11 | C12 | H11 | 120.0° | 120.0° |
| N10 | C11 | C12 | H11A | 120.0° | 119.9° |
| N10 | C11 | H11 | H11A | 118.2° | 120.0° |
| N10 | C11 | C12 | C13 | 167.4° | 127.1° |
| N10 | C11 | C12 | H12 | 12.6° | 53.0° |
| HN10 | N10 | C11 | C12 | 31.0° | 0.0° |
| HN10 | N10 | C11 | H11 | 151.0° | 120.0° |
| HN10 | N10 | C11 | H11A | 89.1° | 119.9° |
| C12 | C11 | H11 | H11A | 118.2° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 177.8° | 172.4° |
| C11 | C12 | C13 | C15 | 0.1° | 7.6° |
| H11 | C11 | C12 | C13 | 47.4° | 7.0° |
| H11 | C11 | C12 | H12 | 132.6° | 173.0° |
| H11A | C11 | C12 | C13 | 72.6° | 113.0° |
| H11A | C11 | C12 | H12 | 107.4° | 67.0° |
| C12 | C13 | C14 | C15 | 177.6° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 90.0° |
| C12 | C13 | C14 | H14A | 60.0° | 150.0° |
| C12 | C13 | C14 | H14B | 60.0° | 30.0° |
| C12 | C13 | C15 | H15 | 180.0° | 5.5° |
| C12 | C13 | C15 | H15A | 60.0° | 125.5° |
| C12 | C13 | C15 | H15B | 60.0° | 114.6° |
| H12 | C12 | C13 | C14 | 2.2° | 7.6° |
| H12 | C12 | C13 | C15 | 179.9° | 172.4° |
| C13 | C14 | H14 | H14A | 120.0° | 119.9° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 119.9° |
| C14 | C13 | C15 | H15 | 2.3° | 174.5° |
| C14 | C13 | C15 | H15A | 117.7° | 54.5° |
| C14 | C13 | C15 | H15B | 122.3° | 65.4° |
| C15 | C13 | C14 | H14 | 2.5° | 90.0° |
| C15 | C13 | C14 | H14A | 122.5° | 30.0° |
| C15 | C13 | C14 | H14B | 117.5° | 150.0° |
| C13 | C15 | H15 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15B | 120.0° | 120.0° |
| C13 | C15 | H15A | H15B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.1° |
| H15 | C15 | H15A | H15B | 120.0° | 120.1° |
| O2' | C2' | C3' | H2' | 117.9° | 122.7° |
| O2' | C2' | C3' | C4' | 157.0° | 118.7° |
| O2' | C2' | C3' | O3' | 40.3° | 0.0° |
| O2' | C2' | C3' | H3' | 77.2° | 122.7° |
| C3' | C2' | O2' | HO2' | 63.2° | 65.3° |
| C2' | C3' | C4' | O3' | 122.0° | 118.7° |
| C2' | C3' | C4' | H3' | 121.0° | 118.6° |
| C2' | C3' | O3' | H3' | 121.9° | 122.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 84.2° | 142.8° |
| C2' | C3' | C4' | O4' | 34.7° | 23.9° |
| C2' | C3' | C4' | H4' | 155.5° | 94.9° |
| H2' | C2' | O2' | HO2' | 56.8° | 57.3° |
| H2' | C2' | C3' | C4' | 85.1° | 118.6° |
| H2' | C2' | C3' | O3' | 158.2° | 122.7° |
| H2' | C2' | C3' | H3' | 40.7° | 0.0° |
| C4' | C3' | O3' | H3' | 126.2° | 122.7° |
| C4' | C3' | O3' | HO3' | 68.2° | 65.4° |
| C3' | C4' | C5' | O4' | 114.7° | 115.4° |
| C3' | C4' | C5' | H4' | 124.1° | 122.2° |
| C3' | C4' | O4' | H4' | 124.0° | 118.8° |
| C3' | C4' | C5' | O5' | 109.1° | 175.0° |
| C3' | C4' | C5' | H5' | 10.9° | 54.9° |
| C3' | C4' | C5' | H5'A | 130.8° | 65.1° |
| O3' | C3' | C4' | C5' | 153.8° | 98.5° |
| O3' | C3' | C4' | O4' | 87.2° | 142.6° |
| O3' | C3' | C4' | H4' | 33.5° | 23.8° |
| H3' | C3' | O3' | HO3' | 58.0° | 57.3° |
| H3' | C3' | C4' | C5' | 36.8° | 24.2° |
| H3' | C3' | C4' | O4' | 155.8° | 94.7° |
| H3' | C3' | C4' | H4' | 83.5° | 146.5° |
| C5' | C4' | O4' | H4' | 120.7° | 122.4° |
| C4' | C5' | O5' | H5' | 120.0° | 120.1° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.4° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| O4' | C4' | C5' | O5' | 136.2° | 69.6° |
| O4' | C4' | C5' | H5' | 103.8° | 170.4° |
| O4' | C4' | C5' | H5'A | 16.2° | 50.4° |
| H4' | C4' | C5' | O5' | 14.9° | 52.8° |
| H4' | C4' | C5' | H5' | 134.9° | 67.3° |
| H4' | C4' | C5' | H5'A | 105.1° | 172.7° |
| O5' | C5' | H5' | H5'A | 120.4° | 119.9° |
| H5' | C5' | O5' | HO5' | 60.0° | 59.9° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
