1D2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | O3 | sing | 1.43Å | 1.45Å | |
| C9 | O1 | sing | 1.43Å | 1.43Å | |
| O3 | C15 | sing | 1.43Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | N | sing | 1.47Å | 1.43Å | |
| N | C12 | sing | 1.47Å | 1.45Å | |
| N | C13 | sing | 1.47Å | 1.47Å | |
| O1 | C8 | sing | 1.43Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C17 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| O2 | H22O | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | 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 | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C10 | C9 | 114.0° | 109.6° |
| O2 | C10 | C11 | 114.2° | 109.5° |
| C10 | O2 | H22O | 109.5° | 114.0° |
| O2 | C10 | H10 | 101.1° | 109.6° |
| C9 | C10 | C11 | 103.2° | 109.1° |
| C10 | C9 | O3 | 106.8° | 109.5° |
| C10 | C9 | O1 | 108.7° | 109.4° |
| C9 | C10 | H10 | 112.5° | 109.5° |
| C10 | C9 | H9 | 111.4° | 109.5° |
| C10 | C11 | C14 | 103.5° | 109.1° |
| C10 | C11 | N | 107.6° | 109.5° |
| C11 | C10 | H10 | 112.3° | 109.6° |
| C10 | C11 | H11 | 113.8° | 109.5° |
| O3 | C9 | O1 | 108.5° | 109.5° |
| C9 | O3 | C15 | 124.4° | 114.1° |
| O3 | C9 | H9 | 111.6° | 109.5° |
| C9 | O1 | C8 | 119.7° | 113.9° |
| O1 | C9 | H9 | 109.8° | 109.5° |
| O3 | C15 | C16 | 111.6° | 109.5° |
| O3 | C15 | C14 | 117.7° | 109.4° |
| O3 | C15 | H15 | 101.3° | 109.4° |
| C16 | C15 | C14 | 107.5° | 109.5° |
| C16 | C15 | H15 | 112.7° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| C15 | C14 | C11 | 104.6° | 109.2° |
| C14 | C15 | H15 | 105.9° | 109.5° |
| C15 | C14 | H141 | 111.1° | 109.5° |
| C15 | C14 | H142 | 112.2° | 109.5° |
| C14 | C11 | N | 107.7° | 109.5° |
| C14 | C11 | H11 | 113.8° | 109.5° |
| C11 | C14 | H141 | 111.1° | 109.5° |
| C11 | C14 | H142 | 112.2° | 109.5° |
| C11 | N | C12 | 99.9° | 111.0° |
| C11 | N | C13 | 107.3° | 111.0° |
| N | C11 | H11 | 110.0° | 109.6° |
| C12 | N | C13 | 111.0° | 111.1° |
| N | C12 | H121 | 109.5° | 109.5° |
| N | C12 | H122 | 109.5° | 109.5° |
| N | C12 | H123 | 109.5° | 109.6° |
| N | C13 | H131 | 109.5° | 109.5° |
| N | C13 | H132 | 109.5° | 109.5° |
| N | C13 | H133 | 109.5° | 109.5° |
| O1 | C8 | C7 | 108.9° | 109.4° |
| O1 | C8 | C17 | 116.0° | 109.5° |
| O1 | C8 | H8 | 105.6° | 109.5° |
| C7 | C8 | C17 | 110.2° | 109.5° |
| C8 | C7 | C6 | 113.6° | 109.5° |
| C7 | C8 | H8 | 111.9° | 109.5° |
| C8 | C7 | H71C | 108.1° | 109.5° |
| C8 | C7 | H72C | 107.2° | 109.4° |
| C8 | C17 | C18 | 111.0° | 109.4° |
| C17 | C8 | H8 | 104.2° | 109.5° |
| C8 | C17 | H171 | 108.9° | 109.5° |
| C8 | C17 | H172 | 108.6° | 109.5° |
| C7 | C6 | C5 | 109.3° | 109.5° |
| C6 | C7 | H71C | 108.1° | 109.5° |
| C6 | C7 | H72C | 107.2° | 109.5° |
| C7 | C6 | H61C | 109.5° | 109.5° |
| C7 | C6 | H62C | 109.6° | 109.4° |
| C6 | C5 | C4 | 113.9° | 109.5° |
| C5 | C6 | H61C | 109.5° | 109.5° |
| C5 | C6 | H62C | 109.5° | 109.5° |
| C6 | C5 | H51C | 108.0° | 109.5° |
| C6 | C5 | H52C | 107.0° | 109.5° |
| C5 | C4 | C3 | 110.9° | 109.5° |
| C4 | C5 | H51C | 108.0° | 109.4° |
| C4 | C5 | H52C | 107.0° | 109.5° |
| C5 | C4 | H41C | 109.0° | 109.4° |
| C5 | C4 | H42C | 108.7° | 109.5° |
| C4 | C3 | C2 | 113.1° | 109.5° |
| C3 | C4 | H41C | 109.0° | 109.4° |
| C3 | C4 | H42C | 108.6° | 109.5° |
| C4 | C3 | H31C | 108.3° | 109.4° |
| C4 | C3 | H32C | 107.4° | 109.4° |
| C3 | C2 | C1 | 110.6° | 109.5° |
| C2 | C3 | H31C | 108.3° | 109.5° |
| C2 | C3 | H32C | 107.4° | 109.5° |
| C3 | C2 | H21C | 109.1° | 109.5° |
| C3 | C2 | H22C | 108.9° | 109.5° |
| C2 | C1 | C20 | 112.1° | 109.5° |
| C1 | C2 | H21C | 109.1° | 109.5° |
| C1 | C2 | H22C | 108.8° | 109.4° |
| C2 | C1 | H11C | 108.6° | 109.5° |
| C2 | C1 | H12C | 108.0° | 109.5° |
| C1 | C20 | C19 | 116.4° | 109.5° |
| C20 | C1 | H11C | 108.6° | 109.4° |
| C20 | C1 | H12C | 108.0° | 109.4° |
| C1 | C20 | H201 | 107.2° | 109.4° |
| C1 | C20 | H202 | 105.6° | 109.5° |
| C20 | C19 | C18 | 112.8° | 109.5° |
| C19 | C20 | H201 | 107.2° | 109.4° |
| C19 | C20 | H202 | 105.6° | 109.5° |
| C20 | C19 | H191 | 108.4° | 109.5° |
| C20 | C19 | H192 | 107.6° | 109.5° |
| C19 | C18 | C17 | 117.5° | 109.5° |
| C18 | C19 | H191 | 108.4° | 109.5° |
| C18 | C19 | H192 | 107.7° | 109.5° |
| C19 | C18 | H181 | 106.9° | 109.5° |
| C19 | C18 | H182 | 105.0° | 109.4° |
| C18 | C17 | H171 | 109.0° | 109.4° |
| C18 | C17 | H172 | 108.6° | 109.4° |
| C17 | C18 | H181 | 106.9° | 109.5° |
| C17 | C18 | H182 | 105.0° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H141 | C14 | H142 | 105.8° | 109.6° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.6° |
| H131 | C13 | H132 | 109.4° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H71C | C7 | H72C | 112.7° | 109.5° |
| H171 | C17 | H172 | 110.7° | 109.5° |
| H61C | C6 | H62C | 109.3° | 109.5° |
| H51C | C5 | H52C | 113.0° | 109.5° |
| H41C | C4 | H42C | 110.7° | 109.4° |
| H31C | C3 | H32C | 112.4° | 109.5° |
| H21C | C2 | H22C | 110.4° | 109.5° |
| H11C | C1 | H12C | 111.5° | 109.5° |
| H201 | C20 | H202 | 115.1° | 109.4° |
| H191 | C19 | H192 | 112.1° | 109.4° |
| H181 | C18 | H182 | 116.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C10 | C9 | C11 | 124.4° | 119.9° |
| O2 | C10 | C9 | H10 | 114.4° | 120.2° |
| O2 | C10 | C11 | H10 | 114.3° | 120.2° |
| O2 | C10 | C9 | O3 | 177.0° | 177.5° |
| O2 | C10 | C9 | O1 | 60.2° | 62.5° |
| O2 | C10 | C11 | C14 | 148.8° | 176.9° |
| O2 | C10 | C11 | N | 35.0° | 63.3° |
| O2 | C10 | C9 | H9 | 60.9° | 57.5° |
| O2 | C10 | C11 | H11 | 87.2° | 57.0° |
| C9 | C10 | C11 | H10 | 121.4° | 119.9° |
| C10 | C9 | O3 | O1 | 116.9° | 120.0° |
| C10 | C9 | O3 | H9 | 122.0° | 120.0° |
| C10 | C9 | O1 | H9 | 122.1° | 120.0° |
| C10 | C9 | O3 | C15 | 22.3° | 61.1° |
| C9 | C10 | C11 | C14 | 86.9° | 57.0° |
| C9 | C10 | C11 | N | 159.3° | 176.8° |
| C10 | C9 | O1 | C8 | 90.0° | 175.0° |
| C9 | C10 | O2 | H22O | 136.6° | 60.0° |
| C9 | C10 | C11 | H11 | 37.1° | 62.9° |
| C11 | C10 | C9 | O3 | 58.6° | 57.6° |
| C11 | C10 | C9 | O1 | 175.4° | 177.6° |
| C10 | C11 | C14 | C15 | 66.9° | 57.0° |
| C10 | C11 | C14 | N | 113.8° | 119.9° |
| C10 | C11 | C14 | H11 | 124.0° | 119.9° |
| C10 | C11 | N | H11 | 124.5° | 120.2° |
| C10 | C11 | N | C12 | 44.6° | 67.8° |
| C10 | C11 | N | C13 | 160.4° | 168.2° |
| C11 | C10 | O2 | H22O | 18.2° | 179.7° |
| C11 | C10 | C9 | H9 | 63.5° | 62.4° |
| C10 | C11 | C14 | H141 | 53.0° | 62.9° |
| C10 | C11 | C14 | H142 | 171.2° | 176.9° |
| O3 | C9 | O1 | H9 | 122.2° | 120.0° |
| C9 | O3 | C15 | C16 | 132.4° | 178.9° |
| C9 | O3 | C15 | C14 | 7.4° | 61.1° |
| O3 | C9 | O1 | C8 | 154.3° | 65.1° |
| O3 | C9 | C10 | H10 | 62.7° | 62.3° |
| C9 | O3 | C15 | H15 | 107.4° | 58.9° |
| O1 | C9 | O3 | C15 | 139.3° | 178.9° |
| C9 | O1 | C8 | C7 | 117.0° | 150.0° |
| C9 | O1 | C8 | C17 | 7.9° | 90.0° |
| O1 | C9 | C10 | H10 | 54.1° | 57.7° |
| C9 | O1 | C8 | H8 | 122.7° | 30.0° |
| O3 | C15 | C16 | C14 | 130.5° | 120.0° |
| O3 | C15 | C16 | H15 | 113.2° | 120.0° |
| O3 | C15 | C14 | H15 | 112.3° | 119.9° |
| O3 | C15 | C14 | C11 | 29.0° | 57.6° |
| C15 | O3 | C9 | H9 | 99.7° | 58.9° |
| O3 | C15 | C16 | H161 | 111.1° | 59.9° |
| O3 | C15 | C16 | H162 | 8.9° | 180.0° |
| O3 | C15 | C16 | H163 | 128.9° | 60.0° |
| O3 | C15 | C14 | H141 | 91.0° | 62.3° |
| O3 | C15 | C14 | H142 | 150.8° | 177.5° |
| C16 | C15 | C14 | H15 | 120.8° | 120.1° |
| C16 | C15 | C14 | C11 | 155.9° | 177.6° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| C16 | C15 | C14 | H141 | 35.9° | 57.7° |
| C16 | C15 | C14 | H142 | 82.2° | 62.5° |
| C15 | C14 | C11 | H141 | 120.0° | 119.9° |
| C15 | C14 | C11 | H142 | 121.8° | 119.9° |
| C15 | C14 | C11 | N | 179.3° | 176.8° |
| C15 | C14 | C11 | H11 | 57.1° | 62.9° |
| C14 | C15 | C16 | H161 | 19.4° | 179.9° |
| C14 | C15 | C16 | H162 | 139.4° | 60.0° |
| C14 | C15 | C16 | H163 | 100.6° | 59.9° |
| C15 | C14 | H141 | H142 | 122.0° | 120.1° |
| C14 | C11 | N | H11 | 124.5° | 120.2° |
| C14 | C11 | N | C12 | 155.6° | 51.7° |
| C14 | C11 | N | C13 | 88.6° | 72.3° |
| C14 | C11 | C10 | H10 | 34.4° | 62.9° |
| C11 | C14 | C15 | H15 | 83.3° | 62.4° |
| C11 | C14 | H141 | H142 | 122.0° | 120.2° |
| C11 | N | C12 | C13 | 113.0° | 124.0° |
| N | C11 | C10 | H10 | 79.4° | 56.9° |
| N | C11 | C14 | H141 | 60.7° | 57.0° |
| N | C11 | C14 | H142 | 57.5° | 63.3° |
| C11 | N | C12 | H121 | 154.9° | 60.1° |
| C11 | N | C12 | H122 | 34.9° | 179.9° |
| C11 | N | C12 | H123 | 85.1° | 59.9° |
| C11 | N | C13 | H131 | 43.6° | 63.5° |
| C11 | N | C13 | H132 | 76.4° | 176.5° |
| C11 | N | C13 | H133 | 163.6° | 56.5° |
| C12 | N | C11 | H11 | 79.9° | 172.0° |
| N | C12 | H121 | H122 | 120.0° | 119.9° |
| N | C12 | H121 | H123 | 120.0° | 120.1° |
| N | C12 | H122 | H123 | 120.0° | 120.1° |
| C12 | N | C13 | H131 | 151.8° | 172.5° |
| C12 | N | C13 | H132 | 31.8° | 52.5° |
| C12 | N | C13 | H133 | 88.2° | 67.4° |
| C13 | N | C11 | H11 | 35.8° | 47.9° |
| C13 | N | C12 | H121 | 41.9° | 63.9° |
| C13 | N | C12 | H122 | 78.1° | 56.0° |
| C13 | N | C12 | H123 | 161.9° | 176.1° |
| N | C13 | H131 | H132 | 120.0° | 120.0° |
| N | C13 | H131 | H133 | 120.0° | 120.0° |
| N | C13 | H132 | H133 | 120.0° | 120.0° |
| O1 | C8 | C7 | C17 | 128.2° | 120.0° |
| O1 | C8 | C7 | H8 | 116.3° | 120.0° |
| O1 | C8 | C17 | H8 | 115.5° | 120.1° |
| O1 | C8 | C7 | C6 | 155.6° | 113.3° |
| O1 | C8 | C17 | C18 | 179.6° | 113.3° |
| C8 | O1 | C9 | H9 | 32.1° | 54.9° |
| O1 | C8 | C7 | H71C | 35.6° | 6.8° |
| O1 | C8 | C7 | H72C | 86.2° | 126.8° |
| O1 | C8 | C17 | H171 | 60.3° | 126.7° |
| O1 | C8 | C17 | H172 | 60.3° | 6.6° |
| C7 | C8 | C17 | H8 | 120.2° | 120.0° |
| C8 | C7 | C6 | H71C | 120.0° | 120.1° |
| C8 | C7 | C6 | H72C | 118.2° | 119.9° |
| C8 | C7 | C6 | C5 | 33.5° | 126.7° |
| C7 | C8 | C17 | C18 | 56.1° | 126.8° |
| C8 | C7 | H71C | H72C | 118.3° | 120.0° |
| C7 | C8 | C17 | H171 | 63.9° | 6.8° |
| C7 | C8 | C17 | H172 | 175.4° | 113.3° |
| C8 | C7 | C6 | H61C | 153.6° | 6.7° |
| C8 | C7 | C6 | H62C | 86.5° | 113.3° |
| C17 | C8 | C7 | C6 | 76.2° | 126.7° |
| C8 | C17 | C18 | C19 | 113.6° | 126.8° |
| C8 | C17 | C18 | H171 | 120.0° | 120.0° |
| C8 | C17 | C18 | H172 | 119.3° | 120.0° |
| C17 | C8 | C7 | H71C | 163.8° | 113.2° |
| C17 | C8 | C7 | H72C | 42.1° | 6.8° |
| C8 | C17 | H171 | H172 | 119.3° | 120.1° |
| C8 | C17 | C18 | H181 | 126.4° | 6.7° |
| C8 | C17 | C18 | H182 | 2.7° | 113.2° |
| C7 | C6 | C5 | H61C | 120.0° | 120.0° |
| C7 | C6 | C5 | H62C | 120.1° | 119.9° |
| C7 | C6 | C5 | C4 | 156.6° | 126.8° |
| C6 | C7 | C8 | H8 | 39.3° | 6.7° |
| C6 | C7 | H71C | H72C | 118.3° | 120.0° |
| C7 | C6 | H61C | H62C | 120.1° | 120.0° |
| C7 | C6 | C5 | H51C | 83.4° | 113.3° |
| C7 | C6 | C5 | H52C | 38.6° | 6.8° |
| C6 | C5 | C4 | H51C | 120.0° | 120.0° |
| C6 | C5 | C4 | H52C | 118.1° | 120.0° |
| C6 | C5 | C4 | C3 | 94.7° | 126.7° |
| C5 | C6 | C7 | H71C | 86.4° | 113.2° |
| C5 | C6 | C7 | H72C | 151.8° | 6.8° |
| C5 | C6 | H61C | H62C | 120.1° | 120.0° |
| C6 | C5 | H51C | H52C | 118.2° | 120.1° |
| C6 | C5 | C4 | H41C | 145.4° | 6.8° |
| C6 | C5 | C4 | H42C | 24.7° | 113.2° |
| C5 | C4 | C3 | H41C | 120.0° | 120.0° |
| C5 | C4 | C3 | H42C | 119.4° | 120.1° |
| C5 | C4 | C3 | C2 | 74.4° | 126.7° |
| C4 | C5 | C6 | H61C | 36.6° | 6.8° |
| C4 | C5 | C6 | H62C | 83.3° | 113.3° |
| C4 | C5 | H51C | H52C | 118.2° | 120.0° |
| C5 | C4 | H41C | H42C | 119.4° | 120.0° |
| C5 | C4 | C3 | H31C | 165.6° | 113.3° |
| C5 | C4 | C3 | H32C | 44.0° | 6.7° |
| C4 | C3 | C2 | H31C | 120.0° | 120.0° |
| C4 | C3 | C2 | H32C | 118.4° | 120.0° |
| C4 | C3 | C2 | C1 | 109.3° | 126.7° |
| C3 | C4 | C5 | H51C | 25.3° | 113.3° |
| C3 | C4 | C5 | H52C | 147.3° | 6.7° |
| C3 | C4 | H41C | H42C | 119.4° | 120.0° |
| C4 | C3 | H31C | H32C | 118.5° | 119.9° |
| C4 | C3 | C2 | H21C | 10.7° | 6.7° |
| C4 | C3 | C2 | H22C | 131.2° | 113.3° |
| C3 | C2 | C1 | H21C | 120.0° | 120.1° |
| C3 | C2 | C1 | H22C | 119.5° | 120.0° |
| C3 | C2 | C1 | C20 | 86.4° | 126.8° |
| C2 | C3 | C4 | H41C | 45.6° | 6.7° |
| C2 | C3 | C4 | H42C | 166.2° | 113.2° |
| C2 | C3 | H31C | H32C | 118.5° | 120.0° |
| C3 | C2 | H21C | H22C | 119.6° | 120.0° |
| C3 | C2 | C1 | H11C | 153.6° | 113.2° |
| C3 | C2 | C1 | H12C | 32.5° | 6.8° |
| C2 | C1 | C20 | H11C | 120.0° | 120.0° |
| C2 | C1 | C20 | H12C | 118.9° | 120.0° |
| C2 | C1 | C20 | C19 | 136.1° | 126.7° |
| C1 | C2 | C3 | H31C | 130.7° | 113.2° |
| C1 | C2 | C3 | H32C | 9.1° | 6.8° |
| C1 | C2 | H21C | H22C | 119.5° | 120.0° |
| C2 | C1 | H11C | H12C | 118.9° | 120.0° |
| C2 | C1 | C20 | H201 | 16.1° | 6.7° |
| C2 | C1 | C20 | H202 | 107.1° | 113.3° |
| C1 | C20 | C19 | H201 | 120.0° | 120.0° |
| C1 | C20 | C19 | H202 | 116.8° | 120.1° |
| C1 | C20 | C19 | C18 | 102.7° | 126.7° |
| C20 | C1 | C2 | H21C | 33.6° | 6.7° |
| C20 | C1 | C2 | H22C | 154.0° | 113.3° |
| C20 | C1 | H11C | H12C | 119.0° | 119.9° |
| C1 | C20 | H201 | H202 | 117.1° | 120.0° |
| C1 | C20 | C19 | H191 | 137.3° | 113.3° |
| C1 | C20 | C19 | H192 | 15.9° | 6.7° |
| C20 | C19 | C18 | H191 | 120.0° | 120.0° |
| C20 | C19 | C18 | H192 | 118.6° | 120.0° |
| C20 | C19 | C18 | C17 | 93.3° | 126.7° |
| C19 | C20 | C1 | H11C | 103.9° | 113.3° |
| C19 | C20 | C1 | H12C | 17.2° | 6.7° |
| C19 | C20 | H201 | H202 | 117.2° | 120.0° |
| C20 | C19 | H191 | H192 | 118.6° | 120.0° |
| C20 | C19 | C18 | H181 | 146.6° | 6.7° |
| C20 | C19 | C18 | H182 | 22.9° | 113.2° |
| C19 | C18 | C17 | H181 | 120.0° | 120.0° |
| C19 | C18 | C17 | H182 | 116.2° | 120.0° |
| C19 | C18 | C17 | H171 | 126.4° | 6.7° |
| C19 | C18 | C17 | H172 | 5.8° | 113.3° |
| C18 | C19 | C20 | H201 | 17.3° | 6.7° |
| C18 | C19 | C20 | H202 | 140.5° | 113.3° |
| C18 | C19 | H191 | H192 | 118.7° | 120.0° |
| C19 | C18 | H181 | H182 | 116.7° | 120.0° |
| C18 | C17 | C8 | H8 | 64.1° | 6.8° |
| C18 | C17 | H171 | H172 | 119.4° | 120.0° |
| C17 | C18 | C19 | H191 | 26.7° | 113.2° |
| C17 | C18 | C19 | H192 | 148.1° | 6.7° |
| C17 | C18 | H181 | H182 | 116.7° | 120.0° |
| H22O | O2 | C10 | H10 | 102.5° | 60.1° |
| H10 | C10 | C9 | H9 | 175.2° | 177.7° |
| H10 | C10 | C11 | H11 | 158.4° | 177.2° |
| H11 | C11 | C14 | H141 | 177.1° | 177.2° |
| H11 | C11 | C14 | H142 | 64.8° | 57.0° |
| H15 | C15 | C16 | H161 | 135.7° | 60.0° |
| H15 | C15 | C16 | H162 | 104.3° | 60.0° |
| H15 | C15 | C16 | H163 | 15.7° | 180.0° |
| H15 | C15 | C14 | H141 | 156.7° | 177.7° |
| H15 | C15 | C14 | H142 | 38.5° | 57.6° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H121 | C12 | H122 | H123 | 120.0° | 119.9° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H8 | C8 | C7 | H71C | 80.7° | 126.7° |
| H8 | C8 | C7 | H72C | 157.5° | 113.2° |
| H8 | C8 | C17 | H171 | 175.9° | 113.2° |
| H8 | C8 | C17 | H172 | 55.2° | 126.7° |
| H71C | C7 | C6 | H61C | 33.6° | 126.8° |
| H71C | C7 | C6 | H62C | 153.5° | 6.8° |
| H72C | C7 | C6 | H61C | 88.2° | 113.2° |
| H72C | C7 | C6 | H62C | 31.7° | 126.8° |
| H171 | C17 | C18 | H181 | 6.4° | 113.3° |
| H171 | C17 | C18 | H182 | 117.3° | 126.7° |
| H172 | C17 | C18 | H181 | 114.3° | 126.7° |
| H172 | C17 | C18 | H182 | 122.0° | 6.7° |
| H61C | C6 | C5 | H51C | 156.6° | 126.7° |
| H61C | C6 | C5 | H52C | 81.5° | 113.2° |
| H62C | C6 | C5 | H51C | 36.7° | 6.7° |
| H62C | C6 | C5 | H52C | 158.6° | 126.7° |
| H51C | C5 | C4 | H41C | 94.7° | 126.7° |
| H51C | C5 | C4 | H42C | 144.7° | 6.7° |
| H52C | C5 | C4 | H41C | 27.3° | 113.3° |
| H52C | C5 | C4 | H42C | 93.4° | 126.7° |
| H41C | C4 | C3 | H31C | 74.4° | 126.8° |
| H41C | C4 | C3 | H32C | 164.0° | 113.3° |
| H42C | C4 | C3 | H31C | 46.2° | 6.8° |
| H42C | C4 | C3 | H32C | 75.4° | 126.8° |
| H31C | C3 | C2 | H21C | 109.3° | 126.7° |
| H31C | C3 | C2 | H22C | 11.2° | 6.7° |
| H32C | C3 | C2 | H21C | 129.1° | 113.3° |
| H32C | C3 | C2 | H22C | 110.4° | 126.7° |
| H21C | C2 | C1 | H11C | 86.4° | 126.7° |
| H21C | C2 | C1 | H12C | 152.5° | 113.3° |
| H22C | C2 | C1 | H11C | 34.1° | 6.7° |
| H22C | C2 | C1 | H12C | 87.1° | 126.8° |
| H11C | C1 | C20 | H201 | 136.1° | 126.8° |
| H11C | C1 | C20 | H202 | 12.9° | 6.8° |
| H12C | C1 | C20 | H201 | 102.8° | 113.3° |
| H12C | C1 | C20 | H202 | 134.1° | 126.7° |
| H201 | C20 | C19 | H191 | 102.8° | 126.8° |
| H201 | C20 | C19 | H192 | 135.8° | 113.3° |
| H202 | C20 | C19 | H191 | 20.4° | 6.8° |
| H202 | C20 | C19 | H192 | 100.9° | 126.7° |
| H191 | C19 | C18 | H181 | 93.4° | 126.7° |
| H191 | C19 | C18 | H182 | 142.9° | 6.8° |
| H192 | C19 | C18 | H181 | 28.1° | 113.3° |
| H192 | C19 | C18 | H182 | 95.7° | 126.8° |
