QLE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C22 | doub | 1.21Å | 1.23Å | |
| C22 | C20 | sing | 1.51Å | 1.49Å | |
| C22 | C1 | sing | 1.46Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | O3 | sing | 1.45Å | 1.41Å | |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| O3 | C12 | sing | 1.34Å | 1.45Å | |
| C12 | O4 | doub | 1.21Å | 1.21Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | N | sing | 1.47Å | 1.46Å | |
| N | C16 | sing | 1.47Å | 1.46Å | |
| N | C15 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | O1 | sing | 1.34Å | 1.45Å | |
| O1 | C5 | sing | 1.45Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | C1 | doub | 1.34Å | 1.32Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C3 | HA | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C7 | H73C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C4 | H43C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C22 | C20 | 115.0° | 119.9° |
| O5 | C22 | C1 | 125.5° | 120.0° |
| C20 | C22 | C1 | 119.2° | 120.0° |
| C22 | C20 | C21 | 111.3° | 109.5° |
| C22 | C20 | C19 | 110.6° | 109.5° |
| C22 | C20 | H20 | 108.7° | 109.5° |
| C22 | C1 | C2 | 119.8° | 119.9° |
| C22 | C1 | H1 | 120.1° | 120.1° |
| C21 | C20 | C19 | 109.8° | 109.5° |
| C21 | C20 | H20 | 108.4° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.4° |
| C20 | C21 | H212 | 109.4° | 109.5° |
| C20 | C21 | H213 | 109.4° | 109.5° |
| C20 | C19 | C17 | 115.4° | 109.5° |
| C19 | C20 | H20 | 108.0° | 109.4° |
| C20 | C19 | H191 | 108.0° | 109.5° |
| C20 | C19 | H192 | 108.0° | 109.5° |
| C19 | C17 | C18 | 110.5° | 109.4° |
| C19 | C17 | C11 | 108.2° | 109.5° |
| C17 | C19 | H191 | 108.0° | 109.5° |
| C17 | C19 | H192 | 108.0° | 109.5° |
| C19 | C17 | H17 | 109.0° | 109.5° |
| C18 | C17 | C11 | 110.9° | 109.5° |
| C18 | C17 | H17 | 109.1° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | C18 | H183 | 109.4° | 109.5° |
| C17 | C11 | O3 | 107.2° | 109.5° |
| C17 | C11 | C9 | 112.3° | 109.5° |
| C11 | C17 | H17 | 109.2° | 109.5° |
| C17 | C11 | H11 | 109.6° | 109.5° |
| O3 | C11 | C9 | 106.7° | 109.4° |
| C11 | O3 | C12 | 118.7° | 117.0° |
| O3 | C11 | H11 | 111.3° | 109.5° |
| C11 | C9 | C10 | 108.0° | 109.5° |
| C11 | C9 | C8 | 111.0° | 109.5° |
| C9 | C11 | H11 | 109.7° | 109.5° |
| C11 | C9 | H9 | 108.7° | 109.4° |
| O3 | C12 | O4 | 118.7° | 120.0° |
| O3 | C12 | C13 | 115.4° | 120.0° |
| O4 | C12 | C13 | 125.9° | 120.0° |
| C12 | C13 | C14 | 116.2° | 109.5° |
| C12 | C13 | H131 | 107.7° | 109.5° |
| C12 | C13 | H132 | 107.7° | 109.5° |
| C13 | C14 | N | 104.8° | 109.5° |
| C14 | C13 | H131 | 107.7° | 109.5° |
| C14 | C13 | H132 | 107.7° | 109.4° |
| C13 | C14 | H141 | 110.6° | 109.5° |
| C13 | C14 | H142 | 110.6° | 109.4° |
| C14 | N | C16 | 105.6° | 111.0° |
| C14 | N | C15 | 113.7° | 111.0° |
| N | C14 | H141 | 110.6° | 109.5° |
| N | C14 | H142 | 110.6° | 109.5° |
| C16 | N | C15 | 109.4° | 111.0° |
| N | C16 | H161 | 109.5° | 109.5° |
| N | C16 | H162 | 109.5° | 109.4° |
| N | C16 | H163 | 109.5° | 109.5° |
| N | C15 | H151 | 109.5° | 109.4° |
| N | C15 | H152 | 109.5° | 109.4° |
| N | C15 | H153 | 109.5° | 109.5° |
| C10 | C9 | C8 | 111.5° | 109.5° |
| C10 | C9 | H9 | 108.7° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| C9 | C10 | H103 | 109.5° | 109.5° |
| C9 | C8 | O2 | 121.7° | 120.1° |
| C9 | C8 | O1 | 120.0° | 120.0° |
| C8 | C9 | H9 | 108.9° | 109.5° |
| O2 | C8 | O1 | 118.3° | 120.0° |
| C8 | O1 | C5 | 117.5° | 117.0° |
| O1 | C5 | C6 | 106.5° | 109.5° |
| O1 | C5 | C3 | 106.9° | 109.5° |
| O1 | C5 | H5 | 111.1° | 109.5° |
| C6 | C5 | C3 | 112.3° | 109.5° |
| C5 | C6 | C7 | 113.7° | 109.5° |
| C6 | C5 | H5 | 110.0° | 109.5° |
| C5 | C6 | H61C | 108.4° | 109.4° |
| C5 | C6 | H62C | 108.4° | 109.5° |
| C5 | C3 | C4 | 111.1° | 109.4° |
| C5 | C3 | C2 | 100.5° | 109.5° |
| C3 | C5 | H5 | 109.9° | 109.5° |
| C5 | C3 | HA | 108.9° | 109.4° |
| C7 | C6 | H61C | 108.4° | 109.5° |
| C7 | C6 | H62C | 108.4° | 109.5° |
| C6 | C7 | H71C | 109.5° | 109.5° |
| C6 | C7 | H72C | 109.5° | 109.5° |
| C6 | C7 | H73C | 109.4° | 109.5° |
| C4 | C3 | C2 | 118.4° | 109.5° |
| C4 | C3 | HA | 108.7° | 109.5° |
| C3 | C4 | H41C | 109.5° | 109.5° |
| C3 | C4 | H42C | 109.5° | 109.4° |
| C3 | C4 | H43C | 109.5° | 109.5° |
| C3 | C2 | C1 | 133.2° | 120.1° |
| C2 | C3 | HA | 108.8° | 109.5° |
| C3 | C2 | H2 | 113.4° | 120.0° |
| C2 | C1 | H1 | 120.1° | 119.9° |
| C1 | C2 | H2 | 113.4° | 119.9° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.4° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H71C | C7 | H73C | 109.5° | 109.5° |
| H72C | C7 | H73C | 109.5° | 109.4° |
| H41C | C4 | H42C | 109.4° | 109.5° |
| H41C | C4 | H43C | 109.5° | 109.5° |
| H42C | C4 | H43C | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C22 | C20 | C1 | 174.7° | 179.6° |
| O5 | C22 | C20 | C21 | 112.7° | 3.6° |
| O5 | C22 | C20 | C19 | 125.0° | 116.4° |
| O5 | C22 | C1 | C2 | 27.9° | 0.1° |
| O5 | C22 | C20 | H20 | 6.6° | 123.6° |
| O5 | C22 | C1 | H1 | 152.1° | 179.4° |
| C22 | C20 | C21 | C19 | 122.7° | 120.0° |
| C22 | C20 | C21 | H20 | 119.5° | 120.0° |
| C22 | C20 | C19 | H20 | 118.9° | 120.0° |
| C22 | C20 | C19 | C17 | 66.6° | 78.4° |
| C20 | C22 | C1 | C2 | 146.1° | 179.7° |
| C20 | C22 | C1 | H1 | 33.9° | 1.0° |
| C22 | C20 | C21 | H211 | 180.0° | 60.0° |
| C22 | C20 | C21 | H212 | 60.0° | 180.0° |
| C22 | C20 | C21 | H213 | 60.0° | 60.0° |
| C22 | C20 | C19 | H191 | 54.3° | 41.6° |
| C22 | C20 | C19 | H192 | 172.5° | 161.5° |
| C1 | C22 | C20 | C21 | 72.6° | 176.1° |
| C1 | C22 | C20 | C19 | 49.6° | 63.9° |
| C22 | C1 | C2 | C3 | 178.6° | 179.7° |
| C22 | C1 | C2 | H1 | 180.0° | 179.3° |
| C1 | C22 | C20 | H20 | 168.0° | 56.0° |
| C22 | C1 | C2 | H2 | 1.4° | 0.7° |
| C21 | C20 | C19 | H20 | 118.0° | 120.0° |
| C21 | C20 | C19 | C17 | 170.3° | 161.6° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C21 | C20 | C19 | H191 | 68.8° | 78.4° |
| C21 | C20 | C19 | H192 | 49.5° | 41.5° |
| C20 | C19 | C17 | H191 | 120.9° | 120.0° |
| C20 | C19 | C17 | H192 | 120.9° | 120.0° |
| C20 | C19 | C17 | C18 | 75.4° | 87.9° |
| C20 | C19 | C17 | C11 | 163.1° | 152.1° |
| C19 | C20 | C21 | H211 | 57.3° | 180.0° |
| C19 | C20 | C21 | H212 | 62.7° | 59.9° |
| C19 | C20 | C21 | H213 | 177.3° | 60.1° |
| C20 | C19 | H191 | H192 | 117.3° | 120.0° |
| C20 | C19 | C17 | H17 | 44.5° | 32.1° |
| C19 | C17 | C18 | C11 | 120.0° | 120.0° |
| C19 | C17 | C18 | H17 | 119.8° | 120.0° |
| C19 | C17 | C11 | H17 | 118.5° | 120.0° |
| C19 | C17 | C11 | O3 | 64.1° | 37.3° |
| C19 | C17 | C11 | C9 | 52.7° | 157.2° |
| C17 | C19 | C20 | H20 | 52.3° | 41.6° |
| C17 | C19 | H191 | H192 | 117.3° | 120.0° |
| C19 | C17 | C18 | H181 | 180.0° | 49.4° |
| C19 | C17 | C18 | H182 | 60.0° | 169.4° |
| C19 | C17 | C18 | H183 | 60.0° | 70.7° |
| C19 | C17 | C11 | H11 | 175.0° | 82.7° |
| C18 | C17 | C11 | H17 | 120.2° | 120.0° |
| C18 | C17 | C11 | O3 | 57.2° | 157.2° |
| C18 | C17 | C11 | C9 | 174.1° | 82.8° |
| C18 | C17 | C19 | H191 | 163.8° | 152.1° |
| C18 | C17 | C19 | H192 | 45.5° | 32.1° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.1° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | C11 | H11 | 63.7° | 37.2° |
| C17 | C11 | O3 | C9 | 120.5° | 120.0° |
| C17 | C11 | O3 | H11 | 119.9° | 120.0° |
| C17 | C11 | C9 | H11 | 122.2° | 120.0° |
| C17 | C11 | O3 | C12 | 116.4° | 150.0° |
| C17 | C11 | C9 | C10 | 166.5° | 36.4° |
| C17 | C11 | C9 | C8 | 71.0° | 83.6° |
| C11 | C17 | C19 | H191 | 42.2° | 32.1° |
| C11 | C17 | C19 | H192 | 76.0° | 87.9° |
| C11 | C17 | C18 | H181 | 60.0° | 169.4° |
| C11 | C17 | C18 | H182 | 60.0° | 70.6° |
| C11 | C17 | C18 | H183 | 180.0° | 49.3° |
| C17 | C11 | C9 | H9 | 48.7° | 156.4° |
| O3 | C11 | C9 | H11 | 120.6° | 120.0° |
| C11 | O3 | C12 | O4 | 3.6° | 0.1° |
| C11 | O3 | C12 | C13 | 176.8° | 180.0° |
| O3 | C11 | C9 | C10 | 49.4° | 156.4° |
| O3 | C11 | C9 | C8 | 171.9° | 36.3° |
| O3 | C11 | C17 | H17 | 177.4° | 82.7° |
| O3 | C11 | C9 | H9 | 68.4° | 83.6° |
| C9 | C11 | O3 | C12 | 123.1° | 90.0° |
| C11 | C9 | C10 | C8 | 122.2° | 120.0° |
| C11 | C9 | C10 | H9 | 117.8° | 120.0° |
| C11 | C9 | C8 | H9 | 119.6° | 120.0° |
| C11 | C9 | C8 | O2 | 28.2° | 106.4° |
| C11 | C9 | C8 | O1 | 153.9° | 73.6° |
| C9 | C11 | C17 | H17 | 65.7° | 37.2° |
| C11 | C9 | C10 | H101 | 180.0° | 56.9° |
| C11 | C9 | C10 | H102 | 60.0° | 176.9° |
| C11 | C9 | C10 | H103 | 60.0° | 63.1° |
| O3 | C12 | O4 | C13 | 179.6° | 179.9° |
| O3 | C12 | C13 | C14 | 172.3° | 180.0° |
| C12 | O3 | C11 | H11 | 3.5° | 30.0° |
| O3 | C12 | C13 | H131 | 51.3° | 60.0° |
| O3 | C12 | C13 | H132 | 66.7° | 60.1° |
| O4 | C12 | C13 | C14 | 8.1° | 0.0° |
| O4 | C12 | C13 | H131 | 129.1° | 119.9° |
| O4 | C12 | C13 | H132 | 112.9° | 120.0° |
| C12 | C13 | C14 | H131 | 121.0° | 120.0° |
| C12 | C13 | C14 | H132 | 121.0° | 120.0° |
| C12 | C13 | C14 | N | 151.2° | 180.0° |
| C12 | C13 | H131 | H132 | 116.9° | 120.0° |
| C12 | C13 | C14 | H141 | 89.6° | 59.9° |
| C12 | C13 | C14 | H142 | 32.0° | 60.0° |
| C13 | C14 | N | H141 | 119.3° | 120.0° |
| C13 | C14 | N | H142 | 119.2° | 120.0° |
| C13 | C14 | N | C16 | 173.5° | 66.0° |
| C13 | C14 | N | C15 | 66.6° | 170.0° |
| C14 | C13 | H131 | H132 | 116.9° | 120.0° |
| C13 | C14 | H141 | H142 | 122.2° | 119.9° |
| C14 | N | C16 | C15 | 122.7° | 123.9° |
| N | C14 | C13 | H131 | 30.2° | 60.0° |
| N | C14 | C13 | H132 | 87.8° | 60.0° |
| N | C14 | H141 | H142 | 122.2° | 120.0° |
| C14 | N | C16 | H161 | 180.0° | 60.0° |
| C14 | N | C16 | H162 | 60.0° | 180.0° |
| C14 | N | C16 | H163 | 60.0° | 60.0° |
| C14 | N | C15 | H151 | 180.0° | 60.0° |
| C14 | N | C15 | H152 | 60.0° | 180.0° |
| C14 | N | C15 | H153 | 60.0° | 60.0° |
| C16 | N | C14 | H141 | 67.2° | 54.0° |
| C16 | N | C14 | H142 | 54.3° | 174.0° |
| N | C16 | H161 | H162 | 120.0° | 119.9° |
| N | C16 | H161 | H163 | 120.0° | 120.0° |
| N | C16 | H162 | H163 | 120.0° | 120.0° |
| C16 | N | C15 | H151 | 62.3° | 176.0° |
| C16 | N | C15 | H152 | 177.7° | 56.1° |
| C16 | N | C15 | H153 | 57.7° | 63.9° |
| C15 | N | C14 | H141 | 52.7° | 70.0° |
| C15 | N | C14 | H142 | 174.2° | 50.0° |
| C15 | N | C16 | H161 | 57.3° | 63.9° |
| C15 | N | C16 | H162 | 62.7° | 56.1° |
| C15 | N | C16 | H163 | 177.3° | 176.1° |
| N | C15 | H151 | H152 | 120.0° | 119.9° |
| N | C15 | H151 | H153 | 120.0° | 120.0° |
| N | C15 | H152 | H153 | 120.0° | 120.0° |
| C10 | C9 | C8 | H9 | 120.0° | 120.0° |
| C10 | C9 | C8 | O2 | 92.2° | 133.6° |
| C10 | C9 | C8 | O1 | 85.7° | 46.4° |
| C10 | C9 | C11 | H11 | 71.3° | 83.6° |
| C9 | C10 | H101 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.0° | 120.0° |
| C9 | C8 | O2 | O1 | 177.9° | 180.0° |
| C9 | C8 | O1 | C5 | 157.7° | 180.0° |
| C8 | C9 | C11 | H11 | 51.2° | 156.3° |
| C8 | C9 | C10 | H101 | 57.8° | 63.2° |
| C8 | C9 | C10 | H102 | 177.8° | 56.8° |
| C8 | C9 | C10 | H103 | 62.2° | 176.8° |
| O2 | C8 | O1 | C5 | 24.3° | 0.0° |
| O2 | C8 | C9 | H9 | 147.9° | 13.6° |
| C8 | O1 | C5 | C6 | 119.7° | 46.4° |
| C8 | O1 | C5 | C3 | 120.1° | 166.4° |
| O1 | C8 | C9 | H9 | 34.3° | 166.4° |
| C8 | O1 | C5 | H5 | 0.1° | 73.7° |
| O1 | C5 | C6 | C3 | 116.7° | 120.0° |
| O1 | C5 | C6 | H5 | 120.5° | 120.0° |
| O1 | C5 | C3 | H5 | 120.7° | 120.0° |
| O1 | C5 | C6 | C7 | 65.3° | 54.8° |
| O1 | C5 | C3 | C4 | 57.0° | 173.0° |
| O1 | C5 | C3 | C2 | 69.2° | 53.0° |
| O1 | C5 | C6 | H61C | 174.0° | 65.1° |
| O1 | C5 | C6 | H62C | 55.3° | 174.8° |
| O1 | C5 | C3 | HA | 176.7° | 67.0° |
| C6 | C5 | C3 | H5 | 122.9° | 120.0° |
| C5 | C6 | C7 | H61C | 120.7° | 119.9° |
| C5 | C6 | C7 | H62C | 120.6° | 120.0° |
| C6 | C5 | C3 | C4 | 59.5° | 53.0° |
| C6 | C5 | C3 | C2 | 174.4° | 67.0° |
| C5 | C6 | H61C | H62C | 118.1° | 120.0° |
| C6 | C5 | C3 | HA | 60.3° | 173.0° |
| C5 | C6 | C7 | H71C | 180.0° | 169.8° |
| C5 | C6 | C7 | H72C | 60.0° | 70.1° |
| C5 | C6 | C7 | H73C | 60.0° | 49.8° |
| C3 | C5 | C6 | C7 | 178.0° | 65.2° |
| C5 | C3 | C4 | C2 | 115.5° | 120.0° |
| C5 | C3 | C4 | HA | 119.8° | 120.0° |
| C5 | C3 | C2 | HA | 114.2° | 120.0° |
| C5 | C3 | C2 | C1 | 107.5° | 57.1° |
| C3 | C5 | C6 | H61C | 57.3° | 174.9° |
| C3 | C5 | C6 | H62C | 61.4° | 54.8° |
| C5 | C3 | C4 | H41C | 180.0° | 60.0° |
| C5 | C3 | C4 | H42C | 60.0° | 180.0° |
| C5 | C3 | C4 | H43C | 60.0° | 60.0° |
| C5 | C3 | C2 | H2 | 72.5° | 123.3° |
| C7 | C6 | C5 | H5 | 55.2° | 174.8° |
| C7 | C6 | H61C | H62C | 118.0° | 120.0° |
| C6 | C7 | H71C | H72C | 120.0° | 120.0° |
| C6 | C7 | H71C | H73C | 120.0° | 120.0° |
| C6 | C7 | H72C | H73C | 120.0° | 120.0° |
| C4 | C3 | C2 | HA | 124.6° | 120.0° |
| C4 | C3 | C2 | C1 | 13.6° | 177.1° |
| C4 | C3 | C5 | H5 | 177.7° | 67.0° |
| C3 | C4 | H41C | H42C | 120.0° | 120.0° |
| C3 | C4 | H41C | H43C | 120.0° | 120.1° |
| C3 | C4 | H42C | H43C | 120.0° | 120.0° |
| C4 | C3 | C2 | H2 | 166.4° | 3.3° |
| C3 | C2 | C1 | H2 | 180.0° | 179.6° |
| C3 | C2 | C1 | H1 | 1.4° | 0.5° |
| C2 | C3 | C5 | H5 | 51.5° | 173.0° |
| C2 | C3 | C4 | H41C | 64.5° | 180.0° |
| C2 | C3 | C4 | H42C | 55.5° | 60.0° |
| C2 | C3 | C4 | H43C | 175.5° | 60.0° |
| C1 | C2 | C3 | HA | 138.3° | 62.9° |
| H20 | C20 | C21 | H211 | 60.5° | 60.0° |
| H20 | C20 | C21 | H212 | 179.5° | 60.0° |
| H20 | C20 | C21 | H213 | 59.5° | 180.0° |
| H20 | C20 | C19 | H191 | 173.1° | 161.6° |
| H20 | C20 | C19 | H192 | 68.6° | 78.4° |
| H1 | C1 | C2 | H2 | 178.6° | 179.9° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H191 | C19 | C17 | H17 | 76.4° | 87.9° |
| H192 | C19 | C17 | H17 | 165.4° | 152.1° |
| H17 | C17 | C18 | H181 | 60.2° | 70.6° |
| H17 | C17 | C18 | H182 | 179.8° | 49.4° |
| H17 | C17 | C18 | H183 | 59.8° | 169.3° |
| H17 | C17 | C11 | H11 | 56.5° | 157.2° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H11 | C11 | C9 | H9 | 170.9° | 36.3° |
| H9 | C9 | C10 | H101 | 62.2° | 176.8° |
| H9 | C9 | C10 | H102 | 57.8° | 63.2° |
| H9 | C9 | C10 | H103 | 177.7° | 56.8° |
| H131 | C13 | C14 | H141 | 149.5° | 179.9° |
| H131 | C13 | C14 | H142 | 89.0° | 60.0° |
| H132 | C13 | C14 | H141 | 31.4° | 60.0° |
| H132 | C13 | C14 | H142 | 152.9° | 180.0° |
| H161 | C16 | H162 | H163 | 119.9° | 120.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.1° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H5 | C5 | C6 | H61C | 65.5° | 54.9° |
| H5 | C5 | C6 | H62C | 175.8° | 65.2° |
| H5 | C5 | C3 | HA | 62.6° | 53.0° |
| H61C | C6 | C7 | H71C | 59.3° | 49.9° |
| H61C | C6 | C7 | H72C | 179.3° | 170.0° |
| H61C | C6 | C7 | H73C | 60.7° | 70.1° |
| H62C | C6 | C7 | H71C | 59.4° | 70.2° |
| H62C | C6 | C7 | H72C | 60.6° | 49.9° |
| H62C | C6 | C7 | H73C | 179.4° | 169.8° |
| HA | C3 | C4 | H41C | 60.2° | 60.0° |
| HA | C3 | C4 | H42C | 179.8° | 60.1° |
| HA | C3 | C4 | H43C | 59.8° | 180.0° |
| HA | C3 | C2 | H2 | 41.8° | 116.7° |
| H71C | C7 | H72C | H73C | 120.0° | 120.0° |
| H41C | C4 | H42C | H43C | 119.9° | 120.0° |
