RS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.52Å | 1.51Å | |
| O19 | C1 | doub | 1.22Å | 1.25Å | |
| O18 | C1 | sing | 1.35Å | 1.25Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.48Å | 1.46Å | |
| C2 | C3 | doub | 1.35Å | 1.39Å | |
| C3 | C4 | sing | 1.46Å | 1.39Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.43Å | 1.41Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | trip | 1.20Å | 1.41Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O18 | HO18 | sing | 0.98Å | 0.95Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.09Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 110.1° | 111.5° |
| C17 | C16 | H161 | 109.2° | 109.1° |
| C17 | C16 | H162 | 109.1° | 109.2° |
| C16 | C17 | H171 | 109.5° | 111.0° |
| C16 | C17 | H172 | 109.5° | 110.9° |
| C16 | C17 | H173 | 109.5° | 110.3° |
| O19 | C1 | O18 | 121.1° | 124.9° |
| O19 | C1 | C2 | 121.4° | 126.5° |
| O18 | C1 | C2 | 117.6° | 108.7° |
| C1 | O18 | HO18 | 109.5° | 112.0° |
| C16 | C15 | C14 | 110.6° | 111.3° |
| C16 | C15 | H151 | 109.1° | 109.6° |
| C16 | C15 | H152 | 108.8° | 109.6° |
| C15 | C16 | H161 | 109.2° | 109.8° |
| C15 | C16 | H162 | 109.1° | 109.9° |
| C1 | C2 | C3 | 124.2° | 119.9° |
| C1 | C2 | H21 | 117.9° | 117.9° |
| C2 | C3 | C4 | 121.1° | 125.1° |
| C3 | C2 | H21 | 117.9° | 122.2° |
| C2 | C3 | H31 | 119.5° | 119.0° |
| C3 | C4 | C5 | 118.9° | 118.1° |
| C3 | C4 | C9 | 122.4° | 121.8° |
| C4 | C3 | H31 | 119.4° | 115.9° |
| C4 | C5 | C6 | 121.1° | 120.0° |
| C5 | C4 | C9 | 117.7° | 120.1° |
| C4 | C5 | H5 | 119.4° | 121.0° |
| C5 | C6 | C7 | 120.4° | 120.0° |
| C6 | C5 | H5 | 119.4° | 119.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C4 | C9 | C10 | 121.5° | 121.6° |
| C4 | C9 | C8 | 120.7° | 119.8° |
| C15 | C14 | C13 | 112.1° | 111.2° |
| C15 | C14 | H141 | 108.6° | 109.5° |
| C15 | C14 | H142 | 108.0° | 109.2° |
| C14 | C15 | H151 | 109.1° | 109.6° |
| C14 | C15 | H152 | 108.9° | 109.6° |
| C6 | C7 | C8 | 120.0° | 120.0° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C10 | C9 | C8 | 116.9° | 118.5° |
| C9 | C10 | C11 | 175.7° | 179.7° |
| C9 | C8 | C7 | 120.0° | 120.1° |
| C9 | C8 | H8 | 120.0° | 120.9° |
| C10 | C11 | C12 | 174.9° | 179.9° |
| C14 | C13 | C12 | 112.7° | 112.8° |
| C14 | C13 | H131 | 108.4° | 108.8° |
| C14 | C13 | H132 | 107.7° | 109.7° |
| C13 | C14 | H141 | 108.6° | 109.6° |
| C13 | C14 | H142 | 108.0° | 110.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C7 | C8 | H8 | 120.0° | 119.0° |
| C11 | C12 | C13 | 109.6° | 112.3° |
| C11 | C12 | H121 | 109.4° | 108.9° |
| C11 | C12 | H122 | 109.4° | 110.0° |
| C13 | C12 | H121 | 109.4° | 108.7° |
| C13 | C12 | H122 | 109.4° | 110.0° |
| C12 | C13 | H131 | 108.4° | 108.3° |
| C12 | C13 | H132 | 107.7° | 110.0° |
| H121 | C12 | H122 | 109.6° | 106.8° |
| H131 | C13 | H132 | 112.0° | 106.9° |
| H141 | C14 | H142 | 111.5° | 107.2° |
| H151 | C15 | H152 | 110.4° | 107.1° |
| H161 | C16 | H162 | 110.0° | 107.2° |
| H171 | C17 | H172 | 109.5° | 108.4° |
| H171 | C17 | H173 | 109.4° | 108.1° |
| H172 | C17 | H173 | 109.5° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H161 | 120.0° | 121.1° |
| C17 | C16 | C15 | H162 | 119.7° | 121.2° |
| C17 | C16 | C15 | C14 | 176.8° | 178.6° |
| C17 | C16 | C15 | H151 | 56.8° | 60.0° |
| C17 | C16 | C15 | H152 | 63.6° | 57.2° |
| C17 | C16 | H161 | H162 | 119.7° | 118.1° |
| C16 | C17 | H171 | H172 | 120.0° | 122.1° |
| C16 | C17 | H171 | H173 | 120.0° | 121.0° |
| C16 | C17 | H172 | H173 | 120.0° | 121.0° |
| O19 | C1 | O18 | C2 | 179.4° | 179.9° |
| O19 | C1 | C2 | C3 | 1.1° | 0.6° |
| O19 | C1 | O18 | HO18 | 0.0° | 0.0° |
| O19 | C1 | C2 | H21 | 178.9° | 180.0° |
| O18 | C1 | C2 | C3 | 178.3° | 179.4° |
| O18 | C1 | C2 | H21 | 1.7° | 0.1° |
| C16 | C15 | C14 | H151 | 120.0° | 121.3° |
| C16 | C15 | C14 | H152 | 119.5° | 121.4° |
| C16 | C15 | C14 | C13 | 174.0° | 178.8° |
| C16 | C15 | C14 | H141 | 54.0° | 60.0° |
| C16 | C15 | C14 | H142 | 67.1° | 57.2° |
| C16 | C15 | H151 | H152 | 119.5° | 118.8° |
| C15 | C16 | H161 | H162 | 119.7° | 119.3° |
| C15 | C16 | C17 | H171 | 128.6° | 60.2° |
| C15 | C16 | C17 | H172 | 8.5° | 60.4° |
| C15 | C16 | C17 | H173 | 111.5° | 179.9° |
| C1 | C2 | C3 | H21 | 180.0° | 179.3° |
| C1 | C2 | C3 | C4 | 172.3° | 179.5° |
| C2 | C1 | O18 | HO18 | 179.3° | 179.9° |
| C1 | C2 | C3 | H31 | 7.6° | 0.8° |
| C2 | C3 | C4 | H31 | 180.0° | 178.8° |
| C2 | C3 | C4 | C5 | 18.6° | 88.9° |
| C2 | C3 | C4 | C9 | 149.8° | 91.2° |
| C3 | C4 | C5 | C9 | 168.9° | 180.0° |
| C3 | C4 | C5 | C6 | 169.0° | 180.0° |
| C3 | C4 | C9 | C10 | 0.6° | 0.0° |
| C3 | C4 | C9 | C8 | 168.6° | 180.0° |
| C4 | C3 | C2 | H21 | 7.6° | 0.2° |
| C3 | C4 | C5 | H5 | 10.9° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C4 | C9 | C10 | 169.1° | 179.9° |
| C5 | C4 | C9 | C8 | 0.1° | 0.0° |
| C5 | C4 | C3 | H31 | 161.4° | 89.9° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C6 | C5 | C4 | C9 | 0.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C4 | C9 | C10 | C8 | 169.6° | 180.0° |
| C4 | C9 | C10 | C11 | 18.2° | 142.3° |
| C4 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C4 | C3 | H31 | 30.2° | 90.0° |
| C9 | C4 | C5 | H5 | 179.9° | 179.9° |
| C4 | C9 | C8 | H8 | 179.9° | 180.0° |
| C15 | C14 | C13 | H141 | 120.0° | 121.2° |
| C15 | C14 | C13 | H142 | 118.9° | 121.1° |
| C15 | C14 | C13 | C12 | 69.3° | 178.8° |
| C15 | C14 | C13 | H131 | 170.7° | 60.9° |
| C15 | C14 | C13 | H132 | 49.3° | 55.7° |
| C15 | C14 | H141 | H142 | 118.9° | 118.4° |
| C14 | C15 | H151 | H152 | 119.6° | 118.8° |
| C14 | C15 | C16 | H161 | 63.2° | 57.5° |
| C14 | C15 | C16 | H162 | 57.1° | 60.1° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.9° | 179.9° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 169.6° | 180.0° |
| C9 | C10 | C11 | C12 | 11.2° | 8.2° |
| C10 | C9 | C8 | H8 | 10.4° | 0.1° |
| C8 | C9 | C10 | C11 | 151.5° | 37.7° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 20.3° | 33.3° |
| C10 | C11 | C12 | H121 | 99.7° | 153.8° |
| C10 | C11 | C12 | H122 | 140.2° | 89.6° |
| C14 | C13 | C12 | C11 | 70.6° | 179.4° |
| C14 | C13 | C12 | H131 | 120.0° | 120.5° |
| C14 | C13 | C12 | H132 | 118.6° | 122.9° |
| C14 | C13 | C12 | H121 | 49.4° | 60.1° |
| C14 | C13 | C12 | H122 | 169.5° | 56.5° |
| C14 | C13 | H131 | H132 | 118.7° | 118.4° |
| C13 | C14 | H141 | H142 | 118.9° | 119.4° |
| C13 | C14 | C15 | H151 | 66.0° | 59.9° |
| C13 | C14 | C15 | H152 | 54.5° | 57.4° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C11 | C12 | C13 | H121 | 120.0° | 120.5° |
| C11 | C12 | C13 | H122 | 120.0° | 122.9° |
| C11 | C12 | H121 | H122 | 119.9° | 118.7° |
| C11 | C12 | C13 | H131 | 49.5° | 60.1° |
| C11 | C12 | C13 | H132 | 170.8° | 56.5° |
| C13 | C12 | H121 | H122 | 119.9° | 118.7° |
| C12 | C13 | H131 | H132 | 118.6° | 118.6° |
| C12 | C13 | C14 | H141 | 50.7° | 60.0° |
| C12 | C13 | C14 | H142 | 171.8° | 57.7° |
| H21 | C2 | C3 | H31 | 172.4° | 178.6° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| H121 | C12 | C13 | H131 | 169.5° | 60.5° |
| H121 | C12 | C13 | H132 | 69.2° | 177.0° |
| H122 | C12 | C13 | H131 | 70.5° | 177.1° |
| H122 | C12 | C13 | H132 | 50.8° | 66.4° |
| H131 | C13 | C14 | H141 | 69.3° | 60.3° |
| H131 | C13 | C14 | H142 | 51.8° | 177.9° |
| H132 | C13 | C14 | H141 | 169.3° | 176.9° |
| H132 | C13 | C14 | H142 | 69.6° | 65.4° |
| H141 | C14 | C15 | H151 | 174.0° | 61.4° |
| H141 | C14 | C15 | H152 | 65.5° | 178.7° |
| H142 | C14 | C15 | H151 | 52.9° | 178.5° |
| H142 | C14 | C15 | H152 | 173.4° | 64.2° |
| H151 | C15 | C16 | H161 | 176.8° | 178.9° |
| H151 | C15 | C16 | H162 | 62.9° | 61.2° |
| H152 | C15 | C16 | H161 | 56.4° | 63.9° |
| H152 | C15 | C16 | H162 | 176.6° | 178.5° |
| H161 | C16 | C17 | H171 | 8.6° | 61.4° |
| H161 | C16 | C17 | H172 | 111.4° | 178.1° |
| H161 | C16 | C17 | H173 | 128.5° | 58.4° |
| H162 | C16 | C17 | H171 | 111.7° | 178.2° |
| H162 | C16 | C17 | H172 | 128.3° | 61.3° |
| H162 | C16 | C17 | H173 | 8.2° | 58.5° |
| H171 | C17 | H172 | H173 | 120.0° | 116.9° |
