YC2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | I24 | sing | 2.10Å | 2.16Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.48Å | 1.53Å | |
| O27 | C19 | doub | 1.22Å | 1.24Å | |
| N18 | C19 | sing | 1.35Å | 1.33Å | |
| C17 | N18 | sing | 1.46Å | 1.46Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N12 | C13 | sing | 1.46Å | 1.47Å | |
| C13 | C28 | sing | 1.51Å | 1.50Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | O29 | doub | 1.21Å | 1.28Å | |
| C28 | O30 | sing | 1.34Å | 1.25Å | |
| O30 | HO30 | sing | 0.97Å | 0.95Å | |
| C11 | N12 | sing | 1.35Å | 1.35Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| O31 | C11 | doub | 1.22Å | 1.25Å | |
| N10 | C11 | sing | 1.35Å | 1.36Å | |
| C6 | N10 | sing | 1.46Å | 1.44Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O8 | C7 | doub | 1.21Å | 1.27Å | |
| C7 | O9 | sing | 1.34Å | 1.29Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C2 | C4 | sing | 1.51Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| O1 | C2 | doub | 1.21Å | 1.26Å | |
| C2 | O3 | sing | 1.34Å | 1.25Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I24 | C23 | C22 | 123.5° | 119.9° |
| I24 | C23 | C25 | 122.6° | 119.8° |
| C22 | C23 | C25 | 114.0° | 120.3° |
| C23 | C22 | C21 | 123.9° | 120.1° |
| C23 | C22 | H22 | 118.0° | 120.0° |
| C23 | C25 | C26 | 122.3° | 120.1° |
| C23 | C25 | H25 | 118.8° | 119.9° |
| C21 | C22 | H22 | 118.0° | 119.9° |
| C22 | C21 | C20 | 121.6° | 119.8° |
| C22 | C21 | H21 | 119.1° | 120.1° |
| C20 | C21 | H21 | 119.2° | 120.1° |
| C21 | C20 | C26 | 114.6° | 119.8° |
| C21 | C20 | C19 | 122.7° | 120.1° |
| C26 | C25 | H25 | 118.9° | 120.0° |
| C25 | C26 | C20 | 123.5° | 119.9° |
| C25 | C26 | H26 | 118.3° | 120.0° |
| C20 | C26 | H26 | 118.2° | 120.1° |
| C26 | C20 | C19 | 122.5° | 120.1° |
| C20 | C19 | O27 | 119.2° | 120.0° |
| C20 | C19 | N18 | 124.3° | 120.0° |
| O27 | C19 | N18 | 116.3° | 119.9° |
| C19 | N18 | C17 | 129.0° | 120.0° |
| C19 | N18 | HN18 | 115.5° | 119.9° |
| C17 | N18 | HN18 | 115.5° | 120.0° |
| N18 | C17 | C16 | 106.9° | 109.5° |
| N18 | C17 | H17 | 110.3° | 109.5° |
| N18 | C17 | H17A | 110.9° | 109.5° |
| C16 | C17 | H17 | 110.4° | 109.5° |
| C16 | C17 | H17A | 110.9° | 109.4° |
| C17 | C16 | C15 | 116.4° | 109.5° |
| C17 | C16 | H16 | 107.2° | 109.5° |
| C17 | C16 | H16A | 105.7° | 109.4° |
| H17 | C17 | H17A | 107.5° | 109.5° |
| C15 | C16 | H16 | 107.2° | 109.5° |
| C15 | C16 | H16A | 105.6° | 109.4° |
| C16 | C15 | C14 | 113.5° | 109.5° |
| C16 | C15 | H15 | 108.1° | 109.5° |
| C16 | C15 | H15A | 107.2° | 109.4° |
| H16 | C16 | H16A | 115.0° | 109.5° |
| C14 | C15 | H15 | 108.2° | 109.5° |
| C14 | C15 | H15A | 107.2° | 109.4° |
| C15 | C14 | C13 | 118.8° | 109.5° |
| C15 | C14 | H14 | 106.5° | 109.5° |
| C15 | C14 | H14A | 104.3° | 109.4° |
| H15 | C15 | H15A | 112.6° | 109.5° |
| C13 | C14 | H14 | 106.5° | 109.5° |
| C13 | C14 | H14A | 104.3° | 109.4° |
| C14 | C13 | N12 | 101.9° | 109.5° |
| C14 | C13 | C28 | 108.1° | 109.5° |
| C14 | C13 | H13 | 115.1° | 109.4° |
| H14 | C14 | H14A | 117.1° | 109.5° |
| N12 | C13 | C28 | 109.5° | 109.5° |
| N12 | C13 | H13 | 113.8° | 109.4° |
| C13 | N12 | C11 | 122.7° | 120.0° |
| C13 | N12 | HN12 | 118.7° | 120.0° |
| C28 | C13 | H13 | 108.1° | 109.5° |
| C13 | C28 | O29 | 119.6° | 120.0° |
| C13 | C28 | O30 | 117.4° | 120.0° |
| O29 | C28 | O30 | 123.0° | 120.0° |
| C28 | O30 | HO30 | 109.5° | 117.0° |
| C11 | N12 | HN12 | 118.6° | 120.0° |
| N12 | C11 | O31 | 124.9° | 120.0° |
| N12 | C11 | N10 | 116.3° | 120.0° |
| O31 | C11 | N10 | 118.8° | 120.1° |
| C11 | N10 | C6 | 115.8° | 120.0° |
| C11 | N10 | HN10 | 122.1° | 120.0° |
| C6 | N10 | HN10 | 122.1° | 120.0° |
| N10 | C6 | C7 | 103.7° | 109.5° |
| N10 | C6 | C5 | 108.1° | 109.5° |
| N10 | C6 | H6 | 113.2° | 109.5° |
| C7 | C6 | C5 | 107.0° | 109.5° |
| C7 | C6 | H6 | 114.2° | 109.5° |
| C6 | C7 | O8 | 119.3° | 120.0° |
| C6 | C7 | O9 | 122.6° | 120.0° |
| C5 | C6 | H6 | 110.1° | 109.4° |
| C6 | C5 | C4 | 112.5° | 109.5° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| C6 | C5 | H5A | 107.8° | 109.5° |
| O8 | C7 | O9 | 117.9° | 120.0° |
| C7 | O9 | HO9 | 109.5° | 117.0° |
| C4 | C5 | H5 | 108.5° | 109.5° |
| C4 | C5 | H5A | 107.8° | 109.5° |
| C5 | C4 | C2 | 115.4° | 109.5° |
| C5 | C4 | H4 | 107.6° | 109.5° |
| C5 | C4 | H4A | 106.2° | 109.4° |
| H5 | C5 | H5A | 111.9° | 109.4° |
| C2 | C4 | H4 | 107.5° | 109.5° |
| C2 | C4 | H4A | 106.2° | 109.5° |
| C4 | C2 | O1 | 119.6° | 120.0° |
| C4 | C2 | O3 | 116.9° | 120.0° |
| H4 | C4 | H4A | 114.2° | 109.4° |
| O1 | C2 | O3 | 123.4° | 120.0° |
| C2 | O3 | HO3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I24 | C23 | C22 | C25 | 179.6° | 179.7° |
| I24 | C23 | C22 | C21 | 178.9° | 180.0° |
| I24 | C23 | C22 | H22 | 1.1° | 0.1° |
| I24 | C23 | C25 | C26 | 179.6° | 180.0° |
| I24 | C23 | C25 | H25 | 0.4° | 0.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 2.1° | 0.1° |
| C23 | C22 | C21 | H21 | 177.9° | 180.0° |
| C22 | C23 | C25 | C26 | 0.8° | 0.3° |
| C22 | C23 | C25 | H25 | 179.2° | 179.7° |
| C25 | C23 | C22 | C21 | 0.7° | 0.3° |
| C25 | C23 | C22 | H22 | 179.3° | 179.8° |
| C23 | C25 | C26 | H25 | 180.0° | 180.0° |
| C23 | C25 | C26 | C20 | 1.1° | 0.0° |
| C23 | C25 | C26 | H26 | 178.9° | 180.0° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | C26 | 1.7° | 0.2° |
| C22 | C21 | C20 | C19 | 178.2° | 180.0° |
| H22 | C22 | C21 | C20 | 177.9° | 180.0° |
| H22 | C22 | C21 | H21 | 2.1° | 0.1° |
| C21 | C20 | C26 | C25 | 0.2° | 0.2° |
| C21 | C20 | C26 | C19 | 176.5° | 179.8° |
| C21 | C20 | C26 | H26 | 179.8° | 179.8° |
| C21 | C20 | C19 | O27 | 33.6° | 0.0° |
| C21 | C20 | C19 | N18 | 151.0° | 179.9° |
| H21 | C21 | C20 | C26 | 178.3° | 179.8° |
| H21 | C21 | C20 | C19 | 1.8° | 0.1° |
| C25 | C26 | C20 | H26 | 180.0° | 179.9° |
| C25 | C26 | C20 | C19 | 176.7° | 180.0° |
| H25 | C25 | C26 | C20 | 178.9° | 179.9° |
| H25 | C25 | C26 | H26 | 1.1° | 0.0° |
| C26 | C20 | C19 | O27 | 142.6° | 179.8° |
| C26 | C20 | C19 | N18 | 32.8° | 0.2° |
| H26 | C26 | C20 | C19 | 3.3° | 0.1° |
| C20 | C19 | O27 | N18 | 175.8° | 180.0° |
| C20 | C19 | N18 | C17 | 177.2° | 180.0° |
| C20 | C19 | N18 | HN18 | 2.8° | 0.0° |
| O27 | C19 | N18 | C17 | 1.6° | 0.0° |
| O27 | C19 | N18 | HN18 | 178.4° | 180.0° |
| C19 | N18 | C17 | HN18 | 180.0° | 180.0° |
| C19 | N18 | C17 | C16 | 159.8° | 180.0° |
| C19 | N18 | C17 | H17 | 39.7° | 60.0° |
| C19 | N18 | C17 | H17A | 79.2° | 60.0° |
| N18 | C17 | C16 | H17 | 120.0° | 120.0° |
| N18 | C17 | C16 | H17A | 121.0° | 120.0° |
| N18 | C17 | H17 | H17A | 121.1° | 120.0° |
| N18 | C17 | C16 | C15 | 47.7° | 180.0° |
| N18 | C17 | C16 | H16 | 167.7° | 60.0° |
| N18 | C17 | C16 | H16A | 69.1° | 60.0° |
| HN18 | N18 | C17 | C16 | 20.3° | 0.0° |
| HN18 | N18 | C17 | H17 | 140.3° | 120.1° |
| HN18 | N18 | C17 | H17A | 100.8° | 120.0° |
| C16 | C17 | H17 | H17A | 121.1° | 120.0° |
| C17 | C16 | C15 | H16 | 120.0° | 120.1° |
| C17 | C16 | C15 | H16A | 116.9° | 120.0° |
| C17 | C16 | H16 | H16A | 117.2° | 120.0° |
| C17 | C16 | C15 | C14 | 71.8° | 180.0° |
| C17 | C16 | C15 | H15 | 168.2° | 59.9° |
| C17 | C16 | C15 | H15A | 46.5° | 60.0° |
| H17 | C17 | C16 | C15 | 72.3° | 60.0° |
| H17 | C17 | C16 | H16 | 47.7° | 180.0° |
| H17 | C17 | C16 | H16A | 170.9° | 60.0° |
| H17A | C17 | C16 | C15 | 168.7° | 60.0° |
| H17A | C17 | C16 | H16 | 71.3° | 60.0° |
| H17A | C17 | C16 | H16A | 51.9° | 180.0° |
| C15 | C16 | H16 | H16A | 117.1° | 120.0° |
| C16 | C15 | C14 | H15 | 120.0° | 120.0° |
| C16 | C15 | C14 | H15A | 118.2° | 120.0° |
| C16 | C15 | H15 | H15A | 118.3° | 120.0° |
| C16 | C15 | C14 | C13 | 176.4° | 180.0° |
| C16 | C15 | C14 | H14 | 56.4° | 60.0° |
| C16 | C15 | C14 | H14A | 68.0° | 60.0° |
| H16 | C16 | C15 | C14 | 48.2° | 59.9° |
| H16 | C16 | C15 | H15 | 71.8° | 180.0° |
| H16 | C16 | C15 | H15A | 166.5° | 60.0° |
| H16A | C16 | C15 | C14 | 171.4° | 60.0° |
| H16A | C16 | C15 | H15 | 51.3° | 60.0° |
| H16A | C16 | C15 | H15A | 70.4° | 180.0° |
| C14 | C15 | H15 | H15A | 118.3° | 120.0° |
| C15 | C14 | C13 | H14 | 120.0° | 120.1° |
| C15 | C14 | C13 | H14A | 115.5° | 120.0° |
| C15 | C14 | H14 | H14A | 116.2° | 120.0° |
| C15 | C14 | C13 | N12 | 174.9° | 64.9° |
| C15 | C14 | C13 | C28 | 59.5° | 175.0° |
| C15 | C14 | C13 | H13 | 61.5° | 55.0° |
| H15 | C15 | C14 | C13 | 63.6° | 60.0° |
| H15 | C15 | C14 | H14 | 176.4° | 180.0° |
| H15 | C15 | C14 | H14A | 52.0° | 60.0° |
| H15A | C15 | C14 | C13 | 58.2° | 60.0° |
| H15A | C15 | C14 | H14 | 61.8° | 60.0° |
| H15A | C15 | C14 | H14A | 173.7° | 180.0° |
| C13 | C14 | H14 | H14A | 116.2° | 120.0° |
| C14 | C13 | N12 | C28 | 114.3° | 120.1° |
| C14 | C13 | N12 | H13 | 124.5° | 120.0° |
| C14 | C13 | C28 | H13 | 125.3° | 120.0° |
| C14 | C13 | C28 | O29 | 76.9° | 120.0° |
| C14 | C13 | C28 | O30 | 105.5° | 60.0° |
| C14 | C13 | N12 | C11 | 91.5° | 155.0° |
| C14 | C13 | N12 | HN12 | 88.5° | 25.0° |
| H14 | C14 | C13 | N12 | 54.9° | 175.0° |
| H14 | C14 | C13 | C28 | 60.5° | 55.0° |
| H14 | C14 | C13 | H13 | 178.5° | 65.0° |
| H14A | C14 | C13 | N12 | 69.6° | 55.0° |
| H14A | C14 | C13 | C28 | 175.1° | 65.0° |
| H14A | C14 | C13 | H13 | 54.1° | 175.0° |
| N12 | C13 | C28 | H13 | 124.5° | 120.0° |
| N12 | C13 | C28 | O29 | 33.3° | 0.1° |
| N12 | C13 | C28 | O30 | 144.2° | 180.0° |
| C13 | N12 | C11 | HN12 | 180.0° | 180.0° |
| C13 | N12 | C11 | O31 | 1.7° | 0.0° |
| C13 | N12 | C11 | N10 | 177.7° | 180.0° |
| C13 | C28 | O29 | O30 | 177.4° | 180.0° |
| C13 | C28 | O30 | HO30 | 177.4° | 180.0° |
| C28 | C13 | N12 | C11 | 154.3° | 85.0° |
| C28 | C13 | N12 | HN12 | 25.7° | 95.0° |
| H13 | C13 | C28 | O29 | 157.8° | 120.0° |
| H13 | C13 | C28 | O30 | 19.7° | 60.0° |
| H13 | C13 | N12 | C11 | 33.1° | 35.0° |
| H13 | C13 | N12 | HN12 | 146.9° | 145.0° |
| O29 | C28 | O30 | HO30 | 0.0° | 0.0° |
| N12 | C11 | O31 | N10 | 179.4° | 180.0° |
| N12 | C11 | N10 | C6 | 171.0° | 180.0° |
| N12 | C11 | N10 | HN10 | 9.0° | 0.1° |
| HN12 | N12 | C11 | O31 | 178.3° | 180.0° |
| HN12 | N12 | C11 | N10 | 2.3° | 0.0° |
| O31 | C11 | N10 | C6 | 9.5° | 0.0° |
| O31 | C11 | N10 | HN10 | 170.4° | 180.0° |
| C11 | N10 | C6 | HN10 | 180.0° | 179.9° |
| C11 | N10 | C6 | C7 | 60.8° | 85.0° |
| C11 | N10 | C6 | C5 | 174.1° | 154.9° |
| C11 | N10 | C6 | H6 | 63.5° | 35.0° |
| N10 | C6 | C7 | C5 | 114.2° | 120.0° |
| N10 | C6 | C7 | H6 | 123.7° | 120.0° |
| N10 | C6 | C5 | H6 | 124.2° | 120.0° |
| N10 | C6 | C7 | O8 | 159.4° | 0.0° |
| N10 | C6 | C7 | O9 | 16.0° | 180.0° |
| N10 | C6 | C5 | C4 | 49.7° | 65.0° |
| N10 | C6 | C5 | H5 | 169.7° | 55.1° |
| N10 | C6 | C5 | H5A | 68.9° | 175.0° |
| HN10 | N10 | C6 | C7 | 119.2° | 95.1° |
| HN10 | N10 | C6 | C5 | 5.9° | 25.0° |
| HN10 | N10 | C6 | H6 | 116.4° | 144.9° |
| C7 | C6 | C5 | H6 | 124.7° | 120.0° |
| C6 | C7 | O8 | O9 | 175.6° | 180.0° |
| C6 | C7 | O9 | HO9 | 175.4° | 180.0° |
| C7 | C6 | C5 | C4 | 61.3° | 175.0° |
| C7 | C6 | C5 | H5 | 58.6° | 65.0° |
| C7 | C6 | C5 | H5A | 180.0° | 55.0° |
| C5 | C6 | C7 | O8 | 86.4° | 120.0° |
| C5 | C6 | C7 | O9 | 98.2° | 60.0° |
| C6 | C5 | C4 | H5 | 120.0° | 120.1° |
| C6 | C5 | C4 | H5A | 118.7° | 120.1° |
| C6 | C5 | H5 | H5A | 118.7° | 120.0° |
| C6 | C5 | C4 | C2 | 164.4° | 180.0° |
| C6 | C5 | C4 | H4 | 75.6° | 60.0° |
| C6 | C5 | C4 | H4A | 47.1° | 60.0° |
| H6 | C6 | C7 | O8 | 35.7° | 120.0° |
| H6 | C6 | C7 | O9 | 139.6° | 60.0° |
| H6 | C6 | C5 | C4 | 174.0° | 55.0° |
| H6 | C6 | C5 | H5 | 66.1° | 175.0° |
| H6 | C6 | C5 | H5A | 55.3° | 65.1° |
| O8 | C7 | O9 | HO9 | 0.0° | 0.0° |
| C4 | C5 | H5 | H5A | 118.7° | 119.9° |
| C5 | C4 | C2 | H4 | 120.0° | 120.1° |
| C5 | C4 | C2 | H4A | 117.3° | 120.0° |
| C5 | C4 | H4 | H4A | 117.6° | 119.9° |
| C5 | C4 | C2 | O1 | 27.1° | 0.0° |
| C5 | C4 | C2 | O3 | 156.2° | 180.0° |
| H5 | C5 | C4 | C2 | 44.5° | 59.9° |
| H5 | C5 | C4 | H4 | 164.4° | 180.0° |
| H5 | C5 | C4 | H4A | 72.9° | 60.1° |
| H5A | C5 | C4 | C2 | 76.9° | 60.0° |
| H5A | C5 | C4 | H4 | 43.1° | 60.1° |
| H5A | C5 | C4 | H4A | 165.8° | 180.0° |
| C2 | C4 | H4 | H4A | 117.6° | 120.0° |
| C4 | C2 | O1 | O3 | 176.5° | 179.9° |
| C4 | C2 | O3 | HO3 | 176.5° | 180.0° |
| H4 | C4 | C2 | O1 | 147.1° | 120.1° |
| H4 | C4 | C2 | O3 | 36.2° | 59.9° |
| H4A | C4 | C2 | O1 | 90.2° | 119.9° |
| H4A | C4 | C2 | O3 | 86.5° | 60.0° |
| O1 | C2 | O3 | HO3 | 0.0° | 0.0° |
