SE8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | O20 | doub | 1.21Å | 1.25Å | |
| C1 | O19 | sing | 1.34Å | 1.26Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| N21 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N4 | C3 | sing | 1.47Å | 1.46Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | N4 | sing | 1.35Å | 1.32Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| O22 | C5 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C23 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | O26 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| O27 | C9 | doub | 1.21Å | 1.23Å | |
| C9 | N10 | sing | 1.35Å | 1.33Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | N13 | sing | 1.47Å | 1.46Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| N13 | C14 | sing | 1.35Å | 1.37Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C14 | O28 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| O29 | C17 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.49Å | 1.45Å | |
| O30 | C18 | doub | 1.21Å | 1.23Å | |
| C18 | O31 | sing | 1.35Å | 1.26Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å | |
| N21 | HN21 | sing | 1.01Å | 1.00Å | |
| N21 | HN2A | sing | 1.01Å | 1.00Å | |
| O24 | C23 | doub | 1.21Å | 1.26Å | |
| C23 | O25 | sing | 1.34Å | 1.26Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O20 | 118.2° | 120.0° |
| C2 | C1 | O19 | 118.3° | 120.0° |
| C1 | C2 | C3 | 110.8° | 109.5° |
| C1 | C2 | N21 | 108.9° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| O20 | C1 | O19 | 123.4° | 120.0° |
| C1 | O19 | HO19 | 109.5° | 117.0° |
| C3 | C2 | N21 | 110.8° | 109.5° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| C2 | C3 | N4 | 112.9° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.4° |
| C2 | C3 | H3A | 108.3° | 109.5° |
| N21 | C2 | H2 | 109.4° | 109.4° |
| C2 | N21 | HN21 | 109.5° | 111.0° |
| C2 | N21 | HN2A | 109.4° | 111.0° |
| N4 | C3 | H3 | 108.3° | 109.4° |
| N4 | C3 | H3A | 108.4° | 109.5° |
| C3 | N4 | C5 | 122.0° | 120.0° |
| C3 | N4 | HN4 | 119.0° | 120.0° |
| H3 | C3 | H3A | 110.6° | 109.5° |
| C5 | N4 | HN4 | 119.0° | 120.0° |
| N4 | C5 | O22 | 124.2° | 120.0° |
| N4 | C5 | C6 | 116.7° | 120.0° |
| O22 | C5 | C6 | 119.1° | 120.0° |
| C5 | C6 | C7 | 110.9° | 109.5° |
| C5 | C6 | H6 | 109.0° | 109.5° |
| C5 | C6 | H6A | 109.0° | 109.5° |
| C7 | C6 | H6 | 109.0° | 109.5° |
| C7 | C6 | H6A | 109.0° | 109.4° |
| C6 | C7 | C8 | 108.0° | 109.5° |
| C6 | C7 | C23 | 110.2° | 109.5° |
| C6 | C7 | O26 | 108.6° | 109.4° |
| H6 | C6 | H6A | 109.9° | 109.5° |
| C8 | C7 | C23 | 112.4° | 109.5° |
| C8 | C7 | O26 | 111.4° | 109.5° |
| C7 | C8 | C9 | 114.4° | 109.5° |
| C7 | C8 | H8 | 107.8° | 109.4° |
| C7 | C8 | H8A | 107.8° | 109.4° |
| C23 | C7 | O26 | 106.0° | 109.5° |
| C7 | C23 | O24 | 119.4° | 120.0° |
| C7 | C23 | O25 | 119.6° | 120.0° |
| C7 | O26 | HO26 | 109.5° | 114.0° |
| C9 | C8 | H8 | 107.9° | 109.5° |
| C9 | C8 | H8A | 107.9° | 109.5° |
| C8 | C9 | O27 | 119.4° | 120.0° |
| C8 | C9 | N10 | 118.0° | 120.0° |
| H8 | C8 | H8A | 111.1° | 109.4° |
| O27 | C9 | N10 | 122.6° | 120.0° |
| C9 | N10 | C11 | 118.7° | 120.0° |
| C9 | N10 | HN10 | 120.7° | 120.0° |
| C11 | N10 | HN10 | 120.6° | 120.0° |
| N10 | C11 | C12 | 110.9° | 109.5° |
| N10 | C11 | H11 | 109.0° | 109.5° |
| N10 | C11 | H11A | 109.0° | 109.4° |
| C12 | C11 | H11 | 109.0° | 109.5° |
| C12 | C11 | H11A | 109.0° | 109.5° |
| C11 | C12 | N13 | 112.2° | 109.5° |
| C11 | C12 | H12 | 108.6° | 109.5° |
| C11 | C12 | H12A | 108.6° | 109.5° |
| H11 | C11 | H11A | 109.9° | 109.5° |
| N13 | C12 | H12 | 108.6° | 109.4° |
| N13 | C12 | H12A | 108.6° | 109.5° |
| C12 | N13 | C14 | 124.2° | 120.0° |
| C12 | N13 | HN13 | 117.9° | 120.0° |
| H12 | C12 | H12A | 110.3° | 109.5° |
| C14 | N13 | HN13 | 117.9° | 120.0° |
| N13 | C14 | O28 | 122.7° | 120.0° |
| N13 | C14 | C15 | 119.6° | 120.0° |
| O28 | C14 | C15 | 117.6° | 120.0° |
| C14 | C15 | C16 | 102.6° | 109.5° |
| C14 | C15 | H15 | 111.8° | 109.5° |
| C14 | C15 | H15A | 111.8° | 109.5° |
| C16 | C15 | H15 | 111.8° | 109.5° |
| C16 | C15 | H15A | 111.8° | 109.4° |
| C15 | C16 | C17 | 115.9° | 109.5° |
| C15 | C16 | H16 | 107.4° | 109.5° |
| C15 | C16 | H16A | 107.4° | 109.4° |
| H15 | C15 | H15A | 107.0° | 109.5° |
| C17 | C16 | H16 | 107.4° | 109.5° |
| C17 | C16 | H16A | 107.4° | 109.5° |
| C16 | C17 | O29 | 123.3° | 120.0° |
| C16 | C17 | C18 | 113.4° | 120.0° |
| H16 | C16 | H16A | 111.5° | 109.5° |
| O29 | C17 | C18 | 122.8° | 120.0° |
| C17 | C18 | O30 | 118.1° | 120.0° |
| C17 | C18 | O31 | 120.1° | 120.0° |
| O30 | C18 | O31 | 121.7° | 120.0° |
| C18 | O31 | HO31 | 109.5° | 117.0° |
| HN21 | N21 | HN2A | 109.5° | 110.9° |
| O24 | C23 | O25 | 120.9° | 120.0° |
| C23 | O25 | HO25 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O20 | O19 | 177.1° | 179.7° |
| C1 | C2 | C3 | N21 | 121.1° | 120.0° |
| C1 | C2 | C3 | H2 | 119.5° | 120.0° |
| C1 | C2 | N21 | H2 | 119.5° | 120.0° |
| C1 | C2 | C3 | N4 | 66.2° | 175.0° |
| C1 | C2 | C3 | H3 | 53.8° | 55.0° |
| C1 | C2 | C3 | H3A | 173.8° | 65.0° |
| C2 | C1 | O19 | HO19 | 177.1° | 179.7° |
| C1 | C2 | N21 | HN21 | 180.0° | 63.9° |
| C1 | C2 | N21 | HN2A | 60.0° | 60.0° |
| O20 | C1 | C2 | C3 | 108.1° | 100.0° |
| O20 | C1 | C2 | N21 | 14.0° | 20.0° |
| O20 | C1 | C2 | H2 | 133.5° | 140.0° |
| O20 | C1 | O19 | HO19 | 0.0° | 0.1° |
| O19 | C1 | C2 | C3 | 74.6° | 79.7° |
| O19 | C1 | C2 | N21 | 163.3° | 160.3° |
| O19 | C1 | C2 | H2 | 43.7° | 40.3° |
| C3 | C2 | N21 | H2 | 118.3° | 120.0° |
| C2 | C3 | N4 | H3 | 120.0° | 119.9° |
| C2 | C3 | N4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 118.6° | 120.0° |
| C2 | C3 | N4 | C5 | 93.8° | 180.0° |
| C2 | C3 | N4 | HN4 | 86.2° | 0.1° |
| C3 | C2 | N21 | HN21 | 57.9° | 176.0° |
| C3 | C2 | N21 | HN2A | 177.8° | 60.1° |
| N21 | C2 | C3 | N4 | 54.9° | 54.9° |
| N21 | C2 | C3 | H3 | 174.9° | 65.0° |
| N21 | C2 | C3 | H3A | 65.1° | 175.0° |
| C2 | N21 | HN21 | HN2A | 120.0° | 123.9° |
| H2 | C2 | C3 | N4 | 174.4° | 65.0° |
| H2 | C2 | C3 | H3 | 65.7° | 175.0° |
| H2 | C2 | C3 | H3A | 54.3° | 55.0° |
| H2 | C2 | N21 | HN21 | 60.5° | 56.1° |
| H2 | C2 | N21 | HN2A | 59.5° | 180.0° |
| N4 | C3 | H3 | H3A | 118.6° | 120.0° |
| C3 | N4 | C5 | HN4 | 180.0° | 179.9° |
| C3 | N4 | C5 | O22 | 6.7° | 0.0° |
| C3 | N4 | C5 | C6 | 172.8° | 180.0° |
| H3 | C3 | N4 | C5 | 146.2° | 60.1° |
| H3 | C3 | N4 | HN4 | 33.8° | 120.0° |
| H3A | C3 | N4 | C5 | 26.2° | 60.0° |
| H3A | C3 | N4 | HN4 | 153.8° | 119.9° |
| N4 | C5 | O22 | C6 | 179.6° | 180.0° |
| N4 | C5 | C6 | C7 | 83.7° | 180.0° |
| N4 | C5 | C6 | H6 | 36.3° | 60.0° |
| N4 | C5 | C6 | H6A | 156.3° | 60.0° |
| HN4 | N4 | C5 | O22 | 173.2° | 179.9° |
| HN4 | N4 | C5 | C6 | 7.2° | 0.0° |
| O22 | C5 | C6 | C7 | 95.9° | 0.0° |
| O22 | C5 | C6 | H6 | 144.1° | 120.0° |
| O22 | C5 | C6 | H6A | 24.1° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 119.4° | 120.0° |
| C5 | C6 | C7 | C8 | 173.1° | 175.0° |
| C5 | C6 | C7 | C23 | 63.7° | 55.0° |
| C5 | C6 | C7 | O26 | 52.0° | 65.0° |
| C7 | C6 | H6 | H6A | 119.4° | 120.0° |
| C6 | C7 | C8 | C23 | 121.8° | 120.1° |
| C6 | C7 | C8 | O26 | 119.3° | 120.0° |
| C6 | C7 | C23 | O26 | 117.4° | 120.0° |
| C6 | C7 | C8 | C9 | 170.8° | 180.0° |
| C6 | C7 | C8 | H8 | 69.2° | 59.9° |
| C6 | C7 | C8 | H8A | 50.8° | 60.0° |
| C6 | C7 | C23 | O24 | 75.8° | 119.9° |
| C6 | C7 | C23 | O25 | 105.0° | 60.0° |
| C6 | C7 | O26 | HO26 | 159.9° | 60.0° |
| H6 | C6 | C7 | C8 | 53.0° | 65.0° |
| H6 | C6 | C7 | C23 | 176.3° | 175.0° |
| H6 | C6 | C7 | O26 | 68.0° | 55.0° |
| H6A | C6 | C7 | C8 | 66.9° | 55.0° |
| H6A | C6 | C7 | C23 | 56.3° | 65.0° |
| H6A | C6 | C7 | O26 | 172.0° | 175.0° |
| C8 | C7 | C23 | O26 | 122.0° | 120.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 117.9° | 119.9° |
| C7 | C8 | C9 | O27 | 145.8° | 0.0° |
| C7 | C8 | C9 | N10 | 35.1° | 180.0° |
| C8 | C7 | C23 | O24 | 44.7° | 120.0° |
| C8 | C7 | C23 | O25 | 134.4° | 60.0° |
| C8 | C7 | O26 | HO26 | 81.2° | 60.0° |
| C23 | C7 | C8 | C9 | 49.0° | 60.0° |
| C23 | C7 | C8 | H8 | 169.0° | 180.0° |
| C23 | C7 | C8 | H8A | 71.0° | 60.1° |
| C7 | C23 | O24 | O25 | 179.1° | 180.0° |
| C7 | C23 | O25 | HO25 | 179.1° | 180.0° |
| C23 | C7 | O26 | HO26 | 41.5° | 180.0° |
| O26 | C7 | C8 | C9 | 69.9° | 60.0° |
| O26 | C7 | C8 | H8 | 50.1° | 60.0° |
| O26 | C7 | C8 | H8A | 170.1° | 179.9° |
| O26 | C7 | C23 | O24 | 166.8° | 0.0° |
| O26 | C7 | C23 | O25 | 12.4° | 180.0° |
| C9 | C8 | H8 | H8A | 118.0° | 120.0° |
| C8 | C9 | O27 | N10 | 179.0° | 180.0° |
| C8 | C9 | N10 | C11 | 178.4° | 180.0° |
| C8 | C9 | N10 | HN10 | 1.5° | 0.0° |
| H8 | C8 | C9 | O27 | 94.2° | 120.0° |
| H8 | C8 | C9 | N10 | 84.9° | 60.0° |
| H8A | C8 | C9 | O27 | 25.8° | 120.0° |
| H8A | C8 | C9 | N10 | 155.1° | 60.0° |
| O27 | C9 | N10 | C11 | 0.6° | 0.0° |
| O27 | C9 | N10 | HN10 | 179.4° | 180.0° |
| C9 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C9 | N10 | C11 | C12 | 118.7° | 180.0° |
| C9 | N10 | C11 | H11 | 1.3° | 60.0° |
| C9 | N10 | C11 | H11A | 121.3° | 60.0° |
| N10 | C11 | C12 | H11 | 120.0° | 120.0° |
| N10 | C11 | C12 | H11A | 120.0° | 120.0° |
| N10 | C11 | H11 | H11A | 119.4° | 119.9° |
| N10 | C11 | C12 | N13 | 160.6° | 180.0° |
| N10 | C11 | C12 | H12 | 40.6° | 60.0° |
| N10 | C11 | C12 | H12A | 79.4° | 60.0° |
| HN10 | N10 | C11 | C12 | 61.3° | 0.0° |
| HN10 | N10 | C11 | H11 | 178.7° | 120.0° |
| HN10 | N10 | C11 | H11A | 58.7° | 120.0° |
| C12 | C11 | H11 | H11A | 119.4° | 120.0° |
| C11 | C12 | N13 | H12 | 120.0° | 120.0° |
| C11 | C12 | N13 | H12A | 120.0° | 120.0° |
| C11 | C12 | H12 | H12A | 118.9° | 120.0° |
| C11 | C12 | N13 | C14 | 83.1° | 180.0° |
| C11 | C12 | N13 | HN13 | 96.8° | 0.0° |
| H11 | C11 | C12 | N13 | 79.4° | 60.0° |
| H11 | C11 | C12 | H12 | 160.6° | 180.0° |
| H11 | C11 | C12 | H12A | 40.6° | 60.0° |
| H11A | C11 | C12 | N13 | 40.6° | 60.0° |
| H11A | C11 | C12 | H12 | 79.4° | 60.0° |
| H11A | C11 | C12 | H12A | 160.6° | 180.0° |
| N13 | C12 | H12 | H12A | 118.9° | 120.0° |
| C12 | N13 | C14 | HN13 | 180.0° | 180.0° |
| C12 | N13 | C14 | O28 | 159.8° | 0.0° |
| C12 | N13 | C14 | C15 | 18.5° | 180.0° |
| H12 | C12 | N13 | C14 | 36.9° | 60.0° |
| H12 | C12 | N13 | HN13 | 143.1° | 120.0° |
| H12A | C12 | N13 | C14 | 156.8° | 60.0° |
| H12A | C12 | N13 | HN13 | 23.2° | 120.0° |
| N13 | C14 | O28 | C15 | 178.3° | 180.0° |
| N13 | C14 | C15 | C16 | 80.9° | 180.0° |
| N13 | C14 | C15 | H15 | 39.1° | 60.0° |
| N13 | C14 | C15 | H15A | 159.1° | 60.0° |
| HN13 | N13 | C14 | O28 | 20.2° | 180.0° |
| HN13 | N13 | C14 | C15 | 161.5° | 0.0° |
| O28 | C14 | C15 | C16 | 97.5° | 0.0° |
| O28 | C14 | C15 | H15 | 142.5° | 120.0° |
| O28 | C14 | C15 | H15A | 22.5° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 122.8° | 120.0° |
| C14 | C15 | C16 | C17 | 148.4° | NaN° |
| C14 | C15 | C16 | H16 | 91.7° | 60.0° |
| C14 | C15 | C16 | H16A | 28.3° | 60.0° |
| C16 | C15 | H15 | H15A | 122.8° | 120.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16A | 117.3° | 120.0° |
| C15 | C16 | C17 | O29 | 63.0° | 0.0° |
| C15 | C16 | C17 | C18 | 124.6° | 180.0° |
| H15 | C15 | C16 | C17 | 28.4° | 60.0° |
| H15 | C15 | C16 | H16 | 148.3° | NaN° |
| H15 | C15 | C16 | H16A | 91.7° | 60.0° |
| H15A | C15 | C16 | C17 | 91.6° | 60.0° |
| H15A | C15 | C16 | H16 | 28.4° | 60.0° |
| H15A | C15 | C16 | H16A | 148.4° | 180.0° |
| C17 | C16 | H16 | H16A | 117.4° | 120.0° |
| C16 | C17 | O29 | C18 | 171.7° | 180.0° |
| C16 | C17 | C18 | O30 | 154.4° | 0.1° |
| C16 | C17 | C18 | O31 | 23.2° | 180.0° |
| H16 | C16 | C17 | O29 | 177.0° | 120.0° |
| H16 | C16 | C17 | C18 | 4.6° | 60.0° |
| H16A | C16 | C17 | O29 | 57.0° | 120.0° |
| H16A | C16 | C17 | C18 | 115.4° | 60.0° |
| O29 | C17 | C18 | O30 | 18.1° | 179.9° |
| O29 | C17 | C18 | O31 | 164.4° | 0.0° |
| C17 | C18 | O30 | O31 | 177.5° | 179.9° |
| C17 | C18 | O31 | HO31 | 177.4° | 180.0° |
| O30 | C18 | O31 | HO31 | 0.0° | 0.1° |
| O24 | C23 | O25 | HO25 | 0.0° | 0.0° |
