SA6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.63Å | |
| C3 | C4 | sing | 1.55Å | 1.56Å | |
| C3 | C7 | sing | 1.51Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.62Å | |
| C4 | O6 | sing | 1.43Å | 1.45Å | |
| C4 | C10 | sing | 1.54Å | 1.58Å | |
| C7 | O8 | doub | 1.21Å | 1.20Å | |
| C7 | N9 | sing | 1.34Å | 1.29Å | |
| N9 | C10 | sing | 1.47Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | C13 | sing | 1.53Å | 1.61Å | |
| C11 | O12 | doub | 1.21Å | 1.24Å | |
| C13 | O14 | sing | 1.43Å | 1.48Å | |
| C13 | C15 | sing | 1.53Å | 1.62Å | |
| C15 | C16 | sing | 1.53Å | 1.65Å | |
| C15 | C20 | sing | 1.50Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.50Å | 1.55Å | |
| C19 | C20 | doub | 1.29Å | 1.36Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2 | 106.3° | 109.5° |
| C1 | C2 | H2A | 106.3° | 109.5° |
| C2 | C3 | C4 | 118.4° | 110.5° |
| C2 | C3 | C7 | 115.4° | 110.5° |
| C3 | C2 | H2 | 106.3° | 109.4° |
| C3 | C2 | H2A | 106.3° | 109.5° |
| C2 | C3 | H3 | 96.0° | 110.4° |
| C4 | C3 | C7 | 100.3° | 104.2° |
| C3 | C4 | C5 | 112.5° | 111.0° |
| C3 | C4 | O6 | 110.8° | 111.0° |
| C3 | C4 | C10 | 105.8° | 101.8° |
| C4 | C3 | H3 | 112.2° | 110.5° |
| C3 | C7 | O8 | 125.4° | 124.9° |
| C3 | C7 | N9 | 111.0° | 110.1° |
| C7 | C3 | H3 | 115.4° | 110.6° |
| C5 | C4 | O6 | 105.1° | 110.8° |
| C5 | C4 | C10 | 113.5° | 111.0° |
| C4 | C5 | H5 | 109.5° | 109.4° |
| C4 | C5 | H5A | 109.5° | 109.5° |
| C4 | C5 | H5B | 109.5° | 109.5° |
| O6 | C4 | C10 | 109.3° | 111.0° |
| C4 | O6 | HO6 | 109.5° | 114.0° |
| C4 | C10 | N9 | 100.9° | 105.4° |
| C4 | C10 | C11 | 107.6° | 110.2° |
| C4 | C10 | C13 | 119.9° | 110.3° |
| O8 | C7 | N9 | 123.6° | 124.9° |
| C7 | N9 | C10 | 117.0° | 111.3° |
| C7 | N9 | HN9 | 121.5° | 124.3° |
| N9 | C10 | C11 | 112.8° | 110.2° |
| N9 | C10 | C13 | 103.2° | 110.3° |
| C10 | N9 | HN9 | 121.5° | 124.4° |
| C11 | C10 | C13 | 111.9° | 110.3° |
| C10 | C11 | O12 | 126.5° | 120.0° |
| C10 | C11 | H11 | 116.8° | 120.0° |
| C10 | C13 | O14 | 107.8° | 109.4° |
| C10 | C13 | C15 | 117.3° | 109.5° |
| C10 | C13 | H13 | 104.0° | 109.5° |
| O12 | C11 | H11 | 116.7° | 120.0° |
| O14 | C13 | C15 | 105.2° | 109.5° |
| O14 | C13 | H13 | 116.4° | 109.4° |
| C13 | O14 | HO14 | 109.5° | 114.0° |
| C13 | C15 | C16 | 118.7° | 109.3° |
| C13 | C15 | C20 | 110.5° | 109.4° |
| C15 | C13 | H13 | 106.6° | 109.5° |
| C13 | C15 | H15 | 101.2° | 109.3° |
| C16 | C15 | C20 | 107.1° | 110.1° |
| C15 | C16 | C17 | 115.3° | 108.4° |
| C16 | C15 | H15 | 105.1° | 109.4° |
| C15 | C16 | H16 | 107.6° | 109.7° |
| C15 | C16 | H16A | 107.6° | 109.7° |
| C15 | C20 | C19 | 126.9° | 124.1° |
| C20 | C15 | H15 | 114.2° | 109.3° |
| C15 | C20 | H20 | 116.6° | 118.0° |
| C16 | C17 | C18 | 108.9° | 108.4° |
| C17 | C16 | H16 | 107.6° | 109.6° |
| C17 | C16 | H16A | 107.6° | 109.6° |
| C16 | C17 | H17 | 109.7° | 109.6° |
| C16 | C17 | H17A | 109.6° | 109.6° |
| C17 | C18 | C19 | 112.3° | 110.2° |
| C18 | C17 | H17 | 109.7° | 109.6° |
| C18 | C17 | H17A | 109.7° | 109.7° |
| C17 | C18 | H18 | 108.5° | 109.3° |
| C17 | C18 | H18A | 108.5° | 109.4° |
| C18 | C19 | C20 | 122.7° | 124.1° |
| C19 | C18 | H18 | 108.5° | 109.3° |
| C19 | C18 | H18A | 108.6° | 109.4° |
| C18 | C19 | H19 | 118.7° | 118.0° |
| C20 | C19 | H19 | 118.6° | 118.0° |
| C19 | C20 | H20 | 116.5° | 118.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H2 | C2 | H2A | 112.5° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| H5 | C5 | H5B | 109.4° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| H16 | C16 | H16A | 111.3° | 109.8° |
| H17 | C17 | H17A | 109.3° | 109.8° |
| H18 | C18 | H18A | 110.3° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.1° |
| C1 | C2 | C3 | C4 | 52.9° | 175.0° |
| C1 | C2 | C3 | C7 | 65.9° | 70.2° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 115.9° | 120.0° |
| C1 | C2 | C3 | H3 | 172.2° | 52.5° |
| C2 | C3 | C4 | C7 | 126.4° | 118.7° |
| C2 | C3 | C4 | H3 | 110.5° | 122.5° |
| C2 | C3 | C7 | H3 | 110.8° | 122.6° |
| C2 | C3 | C4 | C5 | 88.5° | 98.3° |
| C2 | C3 | C4 | O6 | 28.8° | 25.3° |
| C2 | C3 | C4 | C10 | 147.1° | 143.5° |
| C2 | C3 | C7 | O8 | 38.6° | 45.0° |
| C2 | C3 | C7 | N9 | 141.2° | 135.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1A | 60.0° | 60.0° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C3 | C2 | H2 | H2A | 115.9° | 120.0° |
| C4 | C3 | C7 | H3 | 120.8° | 118.7° |
| C3 | C4 | C5 | O6 | 120.7° | 123.7° |
| C3 | C4 | C5 | C10 | 120.1° | 112.4° |
| C3 | C4 | O6 | C10 | 116.1° | 112.5° |
| C4 | C3 | C7 | O8 | 167.0° | 163.7° |
| C4 | C3 | C7 | N9 | 12.8° | 16.2° |
| C3 | C4 | C10 | N9 | 21.6° | 25.4° |
| C3 | C4 | C10 | C11 | 139.9° | 144.4° |
| C3 | C4 | C10 | C13 | 90.7° | 93.6° |
| C4 | C3 | C2 | H2 | 67.1° | 65.0° |
| C4 | C3 | C2 | H2A | 172.8° | 55.0° |
| C3 | C4 | C5 | H5 | 180.0° | 58.6° |
| C3 | C4 | C5 | H5A | 60.0° | 178.5° |
| C3 | C4 | C5 | H5B | 60.0° | 61.4° |
| C3 | C4 | O6 | HO6 | 180.0° | 61.4° |
| C7 | C3 | C4 | C5 | 145.1° | 142.9° |
| C7 | C3 | C4 | O6 | 97.6° | 93.4° |
| C7 | C3 | C4 | C10 | 20.7° | 24.8° |
| C3 | C7 | O8 | N9 | 179.8° | 180.0° |
| C3 | C7 | N9 | C10 | 1.4° | 0.4° |
| C7 | C3 | C2 | H2 | 174.1° | 49.8° |
| C7 | C3 | C2 | H2A | 54.0° | 169.8° |
| C3 | C7 | N9 | HN9 | 178.6° | 179.6° |
| C5 | C4 | O6 | C10 | 122.0° | 123.8° |
| C5 | C4 | C10 | N9 | 145.4° | 143.6° |
| C5 | C4 | C10 | C11 | 96.2° | 97.5° |
| C5 | C4 | C10 | C13 | 33.1° | 24.5° |
| C5 | C4 | C3 | H3 | 22.0° | 24.2° |
| C4 | C5 | H5 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5B | 120.0° | 120.0° |
| C4 | C5 | H5A | H5B | 120.0° | 120.1° |
| C5 | C4 | O6 | HO6 | 58.2° | 62.3° |
| O6 | C4 | C10 | N9 | 97.7° | 92.7° |
| O6 | C4 | C10 | C11 | 20.6° | 26.2° |
| O6 | C4 | C10 | C13 | 150.0° | 148.3° |
| O6 | C4 | C3 | H3 | 139.3° | 147.8° |
| O6 | C4 | C5 | H5 | 59.3° | 177.7° |
| O6 | C4 | C5 | H5A | 60.7° | 57.7° |
| O6 | C4 | C5 | H5B | 179.3° | 62.3° |
| C4 | C10 | N9 | C7 | 14.8° | 17.0° |
| C4 | C10 | N9 | C11 | 114.5° | 119.0° |
| C4 | C10 | N9 | C13 | 124.5° | 119.0° |
| C4 | C10 | C11 | C13 | 133.7° | 122.0° |
| C4 | C10 | C11 | O12 | 111.1° | 120.0° |
| C4 | C10 | C13 | O14 | 43.4° | 55.8° |
| C4 | C10 | C13 | C15 | 161.9° | 175.8° |
| C10 | C4 | C3 | H3 | 102.4° | 94.0° |
| C10 | C4 | C5 | H5 | 59.9° | 53.8° |
| C10 | C4 | C5 | H5A | 180.0° | 66.1° |
| C10 | C4 | C5 | H5B | 60.0° | 173.8° |
| C10 | C4 | O6 | HO6 | 63.8° | 173.9° |
| C4 | C10 | N9 | HN9 | 165.2° | 162.9° |
| C4 | C10 | C11 | H11 | 69.0° | 60.0° |
| C4 | C10 | C13 | H13 | 80.7° | 64.2° |
| O8 | C7 | N9 | C10 | 178.8° | 179.6° |
| O8 | C7 | C3 | H3 | 72.2° | 77.6° |
| O8 | C7 | N9 | HN9 | 1.2° | 0.4° |
| C7 | N9 | C10 | HN9 | 180.0° | 180.0° |
| C7 | N9 | C10 | C11 | 129.3° | 136.0° |
| C7 | N9 | C10 | C13 | 109.7° | 102.0° |
| N9 | C7 | C3 | H3 | 108.0° | 102.4° |
| N9 | C10 | C11 | C13 | 115.9° | 122.0° |
| N9 | C10 | C11 | O12 | 0.7° | 124.0° |
| N9 | C10 | C13 | O14 | 67.7° | 60.3° |
| N9 | C10 | C13 | C15 | 50.8° | 59.7° |
| N9 | C10 | C11 | H11 | 179.3° | 56.0° |
| N9 | C10 | C13 | H13 | 168.2° | 179.8° |
| C10 | C11 | O12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C13 | O14 | 170.8° | 177.7° |
| C11 | C10 | C13 | C15 | 70.8° | 62.3° |
| C11 | C10 | N9 | HN9 | 50.7° | 44.0° |
| C11 | C10 | C13 | H13 | 46.7° | 57.8° |
| C13 | C10 | C11 | O12 | 115.2° | 2.0° |
| C10 | C13 | O14 | C15 | 126.0° | 120.0° |
| C10 | C13 | O14 | H13 | 116.3° | 120.0° |
| C10 | C13 | C15 | H13 | 116.0° | 120.1° |
| C10 | C13 | C15 | C16 | 57.8° | 166.2° |
| C10 | C13 | C15 | C20 | 177.9° | 73.1° |
| C13 | C10 | N9 | HN9 | 70.3° | 78.0° |
| C13 | C10 | C11 | H11 | 64.8° | 178.0° |
| C10 | C13 | O14 | HO14 | 180.0° | 60.0° |
| C10 | C13 | C15 | H15 | 56.5° | 46.5° |
| O14 | C13 | C15 | H13 | 124.2° | 120.0° |
| O14 | C13 | C15 | C16 | 177.6° | 73.8° |
| O14 | C13 | C15 | C20 | 58.1° | 46.9° |
| O14 | C13 | C15 | H15 | 63.3° | 166.5° |
| C13 | C15 | C16 | C20 | 126.0° | 120.2° |
| C13 | C15 | C16 | H15 | 112.2° | 119.7° |
| C13 | C15 | C20 | H15 | 113.4° | 119.6° |
| C13 | C15 | C16 | C17 | 164.7° | 169.7° |
| C13 | C15 | C20 | C19 | 137.1° | 137.4° |
| C15 | C13 | O14 | HO14 | 54.0° | 60.0° |
| C13 | C15 | C16 | H16 | 75.4° | 70.7° |
| C13 | C15 | C16 | H16A | 44.7° | 50.0° |
| C13 | C15 | C20 | H20 | 42.9° | 42.6° |
| C16 | C15 | C20 | H15 | 115.9° | 120.2° |
| C15 | C16 | C17 | H16 | 120.0° | 119.7° |
| C15 | C16 | C17 | H16A | 120.0° | 119.8° |
| C15 | C16 | C17 | C18 | 60.7° | 67.4° |
| C16 | C15 | C20 | C19 | 6.4° | 17.2° |
| C16 | C15 | C13 | H13 | 58.3° | 46.2° |
| C15 | C16 | H16 | H16A | 117.6° | 120.6° |
| C15 | C16 | C17 | H17 | 59.3° | 52.2° |
| C15 | C16 | C17 | H17A | 179.3° | 172.9° |
| C16 | C15 | C20 | H20 | 173.6° | 162.8° |
| C20 | C15 | C16 | C17 | 38.7° | 49.5° |
| C15 | C20 | C19 | C18 | 3.0° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | C15 | C13 | H13 | 66.0° | 166.8° |
| C20 | C15 | C16 | H16 | 158.7° | 169.1° |
| C20 | C15 | C16 | H16A | 81.3° | 70.2° |
| C15 | C20 | C19 | H19 | 177.0° | 179.5° |
| C16 | C17 | C18 | H17 | 120.0° | 119.6° |
| C16 | C17 | C18 | H17A | 120.0° | 119.7° |
| C16 | C17 | C18 | C19 | 47.9° | 49.4° |
| C17 | C16 | C15 | H15 | 83.1° | 70.6° |
| C17 | C16 | H16 | H16A | 117.6° | 120.5° |
| C16 | C17 | H17 | H17A | 120.2° | 120.5° |
| C16 | C17 | C18 | H18 | 168.0° | 169.6° |
| C16 | C17 | C18 | H18A | 72.1° | 70.8° |
| C17 | C18 | C19 | H18 | 120.0° | 120.2° |
| C17 | C18 | C19 | H18A | 120.0° | 120.3° |
| C17 | C18 | C19 | C20 | 18.5° | 17.2° |
| C18 | C17 | C16 | H16 | 179.3° | 172.9° |
| C18 | C17 | C16 | H16A | 59.2° | 52.3° |
| C18 | C17 | H17 | H17A | 120.2° | 120.6° |
| C17 | C18 | H18 | H18A | 118.8° | 119.7° |
| C17 | C18 | C19 | H19 | 161.5° | 162.9° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 72.1° | 70.2° |
| C19 | C18 | C17 | H17A | 167.9° | 169.1° |
| C19 | C18 | H18 | H18A | 118.8° | 119.7° |
| C18 | C19 | C20 | H20 | 177.0° | 179.5° |
| C19 | C20 | C15 | H15 | 109.5° | 103.0° |
| C20 | C19 | C18 | H18 | 138.5° | 137.3° |
| C20 | C19 | C18 | H18A | 101.5° | 103.1° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 60.0° | 60.1° |
| H1 | C1 | C2 | H2A | 60.0° | 60.0° |
| H1A | C1 | C2 | H2 | 60.0° | 59.9° |
| H1A | C1 | C2 | H2A | 180.0° | 180.0° |
| H1B | C1 | C2 | H2 | 180.0° | 180.0° |
| H1B | C1 | C2 | H2A | 59.9° | 60.0° |
| H2 | C2 | C3 | H3 | 52.2° | 172.5° |
| H2A | C2 | C3 | H3 | 67.8° | 67.6° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |
| H13 | C13 | O14 | HO14 | 63.8° | 180.0° |
| H13 | C13 | C15 | H15 | 172.5° | 73.6° |
| H15 | C15 | C16 | H16 | 36.9° | 49.0° |
| H15 | C15 | C16 | H16A | 156.9° | 169.7° |
| H15 | C15 | C20 | H20 | 70.5° | 77.0° |
| H16 | C16 | C17 | H17 | 60.7° | 67.5° |
| H16 | C16 | C17 | H17A | 59.3° | 53.2° |
| H16A | C16 | C17 | H17 | 179.2° | 172.0° |
| H16A | C16 | C17 | H17A | 60.7° | 67.4° |
| H17 | C17 | C18 | H18 | 48.0° | 50.0° |
| H17 | C17 | C18 | H18A | 167.9° | 169.5° |
| H17A | C17 | C18 | H18 | 72.1° | 70.7° |
| H17A | C17 | C18 | H18A | 47.9° | 48.9° |
| H18 | C18 | C19 | H19 | 41.5° | 42.7° |
| H18A | C18 | C19 | H19 | 78.5° | 76.9° |
| H19 | C19 | C20 | H20 | 3.0° | 0.5° |
