LAB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C18 | doub | 1.22Å | 1.21Å | |
| C18 | N1 | sing | 1.33Å | 1.32Å | |
| C18 | S1 | sing | 1.77Å | 1.80Å | |
| N1 | C16 | sing | 1.45Å | 1.50Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | S1 | sing | 1.82Å | 1.84Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C15 | O3 | sing | 1.43Å | 1.39Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C15 | O4 | sing | 1.43Å | 1.44Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C14 | C13 | sing | 1.52Å | 1.50Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C13 | O2 | sing | 1.45Å | 1.48Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| O2 | C1 | sing | 1.35Å | 1.36Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.58Å | |
| C11 | O3 | sing | 1.43Å | 1.46Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.52Å | 1.48Å | |
| C10 | H101 | sing | 1.08Å | 1.10Å | |
| C10 | H102 | sing | 1.11Å | 1.10Å | |
| C9 | C8 | sing | 1.53Å | 1.59Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C8 | C7 | sing | 1.50Å | 1.57Å | |
| C8 | C20 | sing | 1.51Å | 1.79Å | |
| C8 | H8 | sing | 1.11Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C7 | C6 | doub | 1.28Å | 1.26Å | |
| C7 | H7 | sing | 1.12Å | 1.08Å | |
| C6 | C5 | sing | 1.49Å | 1.45Å | |
| C6 | H6 | sing | 1.12Å | 1.08Å | |
| C5 | C4 | sing | 1.53Å | 1.57Å | |
| C5 | H51 | sing | 1.07Å | 1.10Å | |
| C5 | H52 | sing | 1.11Å | 1.10Å | |
| C4 | C3 | sing | 1.50Å | 1.37Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.08Å | 1.10Å | |
| C3 | C2 | doub | 1.33Å | 1.30Å | |
| C3 | C19 | sing | 1.52Å | 1.56Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.47Å | 1.49Å | |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C18 | N1 | 128.4° | 125.2° |
| O5 | C18 | S1 | 122.9° | 125.2° |
| N1 | C18 | S1 | 108.8° | 109.6° |
| C18 | N1 | C16 | 121.0° | 118.8° |
| C18 | N1 | HN1 | 119.5° | 120.6° |
| C18 | S1 | C17 | 93.7° | 96.0° |
| C16 | N1 | HN1 | 119.5° | 120.6° |
| N1 | C16 | C15 | 106.3° | 109.0° |
| N1 | C16 | C17 | 107.7° | 111.7° |
| N1 | C16 | H16 | 112.9° | 109.1° |
| C15 | C16 | C17 | 110.1° | 109.0° |
| C15 | C16 | H16 | 110.6° | 109.0° |
| C16 | C15 | O3 | 106.5° | 109.6° |
| C16 | C15 | C14 | 118.9° | 109.9° |
| C16 | C15 | O4 | 109.3° | 108.6° |
| C17 | C16 | H16 | 109.2° | 108.9° |
| C16 | C17 | S1 | 107.8° | 103.9° |
| C16 | C17 | H171 | 110.1° | 110.6° |
| C16 | C17 | H172 | 110.4° | 110.6° |
| S1 | C17 | H171 | 110.0° | 110.7° |
| S1 | C17 | H172 | 110.4° | 110.3° |
| H171 | C17 | H172 | 108.1° | 110.6° |
| O3 | C15 | C14 | 118.6° | 111.4° |
| O3 | C15 | O4 | 100.6° | 108.5° |
| C15 | O3 | C11 | 119.9° | 114.8° |
| C14 | C15 | O4 | 100.9° | 108.7° |
| C15 | C14 | C13 | 116.1° | 111.7° |
| C15 | C14 | H141 | 107.3° | 109.4° |
| C15 | C14 | H142 | 105.8° | 108.6° |
| C15 | O4 | HO4 | 109.5° | 114.0° |
| C13 | C14 | H141 | 107.3° | 110.4° |
| C13 | C14 | H142 | 105.8° | 108.8° |
| C14 | C13 | C12 | 121.4° | 110.3° |
| C14 | C13 | O2 | 105.6° | 111.3° |
| C14 | C13 | H13 | 100.7° | 109.1° |
| H141 | C14 | H142 | 114.8° | 107.8° |
| C12 | C13 | O2 | 93.7° | 109.4° |
| C12 | C13 | H13 | 111.4° | 108.5° |
| C13 | C12 | C11 | 113.2° | 108.9° |
| C13 | C12 | H121 | 108.2° | 109.6° |
| C13 | C12 | H122 | 107.4° | 109.2° |
| O2 | C13 | H13 | 125.9° | 108.2° |
| C13 | O2 | C1 | 121.3° | 119.8° |
| O2 | C1 | C2 | 113.3° | 119.6° |
| O2 | C1 | O1 | 121.7° | 120.0° |
| C11 | C12 | H121 | 108.2° | 110.8° |
| C11 | C12 | H122 | 107.4° | 109.3° |
| C12 | C11 | C10 | 123.0° | 110.5° |
| C12 | C11 | O3 | 119.3° | 108.5° |
| C12 | C11 | H11 | 86.6° | 110.2° |
| H121 | C12 | H122 | 112.5° | 109.1° |
| C10 | C11 | O3 | 107.8° | 110.5° |
| C10 | C11 | H11 | 105.3° | 108.8° |
| C11 | C10 | C9 | 114.7° | 110.0° |
| C11 | C10 | H101 | 107.8° | 111.4° |
| C11 | C10 | H102 | 106.5° | 107.5° |
| O3 | C11 | H11 | 111.2° | 108.4° |
| C9 | C10 | H101 | 107.8° | 113.1° |
| C9 | C10 | H102 | 106.5° | 108.0° |
| C10 | C9 | C8 | 110.8° | 114.1° |
| C10 | C9 | H91 | 109.0° | 109.0° |
| C10 | C9 | H92 | 108.8° | 109.1° |
| H101 | C10 | H102 | 113.7° | 106.7° |
| C8 | C9 | H91 | 109.1° | 108.5° |
| C8 | C9 | H92 | 108.8° | 108.6° |
| C9 | C8 | C7 | 125.3° | 108.5° |
| C9 | C8 | C20 | 105.1° | 112.1° |
| C9 | C8 | H8 | 100.4° | 107.1° |
| H91 | C9 | H92 | 110.5° | 107.3° |
| C7 | C8 | C20 | 104.8° | 113.4° |
| C7 | C8 | H8 | 100.6° | 107.6° |
| C8 | C7 | C6 | 130.2° | 132.9° |
| C8 | C7 | H7 | 114.9° | 113.6° |
| C20 | C8 | H8 | 122.5° | 107.9° |
| C8 | C20 | H201 | 109.5° | 109.5° |
| C8 | C20 | H202 | 109.5° | 109.5° |
| C8 | C20 | H203 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| C6 | C7 | H7 | 114.9° | 113.4° |
| C7 | C6 | C5 | 126.8° | 131.9° |
| C7 | C6 | H6 | 116.6° | 113.9° |
| C5 | C6 | H6 | 116.6° | 114.2° |
| C6 | C5 | C4 | 113.3° | 110.0° |
| C6 | C5 | H51 | 108.2° | 114.6° |
| C6 | C5 | H52 | 107.4° | 107.6° |
| C4 | C5 | H51 | 108.2° | 111.2° |
| C4 | C5 | H52 | 107.3° | 106.9° |
| C5 | C4 | C3 | 121.2° | 110.5° |
| C5 | C4 | H41 | 105.7° | 107.9° |
| C5 | C4 | H42 | 103.0° | 110.2° |
| H51 | C5 | H52 | 112.5° | 106.2° |
| C3 | C4 | H41 | 105.7° | 108.3° |
| C3 | C4 | H42 | 103.0° | 112.0° |
| C4 | C3 | C2 | 128.9° | 123.5° |
| C4 | C3 | C19 | 110.7° | 118.6° |
| H41 | C4 | H42 | 119.2° | 107.7° |
| C2 | C3 | C19 | 120.4° | 118.0° |
| C3 | C2 | C1 | 131.1° | 123.9° |
| C3 | C2 | H2 | 114.5° | 117.8° |
| C3 | C19 | H191 | 109.5° | 109.4° |
| C3 | C19 | H192 | 109.5° | 109.5° |
| C3 | C19 | H193 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| C1 | C2 | H2 | 114.4° | 118.3° |
| C2 | C1 | O1 | 124.9° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C18 | N1 | S1 | 179.6° | 179.8° |
| O5 | C18 | N1 | C16 | 175.7° | 180.0° |
| O5 | C18 | N1 | HN1 | 4.3° | 0.0° |
| O5 | C18 | S1 | C17 | 177.9° | 179.9° |
| C18 | N1 | C16 | HN1 | 180.0° | 180.0° |
| C18 | N1 | C16 | C15 | 108.2° | 120.6° |
| C18 | N1 | C16 | C17 | 9.8° | 0.0° |
| C18 | N1 | C16 | H16 | 130.4° | 120.5° |
| N1 | C18 | S1 | C17 | 2.4° | 0.3° |
| S1 | C18 | N1 | C16 | 4.0° | 0.2° |
| S1 | C18 | N1 | HN1 | 176.1° | 179.8° |
| C18 | S1 | C17 | C16 | 7.6° | 0.3° |
| C18 | S1 | C17 | H171 | 127.6° | 118.4° |
| C18 | S1 | C17 | H172 | 113.0° | 118.8° |
| N1 | C16 | C15 | C17 | 116.4° | 122.2° |
| N1 | C16 | C15 | H16 | 122.8° | 119.0° |
| N1 | C16 | C17 | H16 | 122.9° | 120.6° |
| N1 | C16 | C17 | S1 | 10.2° | 0.2° |
| N1 | C16 | C17 | H171 | 130.2° | 118.6° |
| N1 | C16 | C17 | H172 | 110.5° | 118.6° |
| N1 | C16 | C15 | O3 | 178.8° | 178.6° |
| N1 | C16 | C15 | C14 | 41.6° | 58.6° |
| N1 | C16 | C15 | O4 | 73.4° | 60.1° |
| HN1 | N1 | C16 | C15 | 71.8° | 59.4° |
| HN1 | N1 | C16 | C17 | 170.2° | 180.0° |
| HN1 | N1 | C16 | H16 | 49.6° | 59.5° |
| C15 | C16 | C17 | H16 | 121.6° | 118.8° |
| C15 | C16 | C17 | S1 | 105.2° | 120.8° |
| C15 | C16 | C17 | H171 | 14.8° | 2.0° |
| C15 | C16 | C17 | H172 | 134.1° | 120.8° |
| C16 | C15 | O3 | C14 | 137.4° | 121.9° |
| C16 | C15 | O3 | O4 | 114.0° | 118.5° |
| C16 | C15 | C14 | O4 | 119.4° | 118.7° |
| C16 | C15 | O4 | HO4 | 168.8° | 180.0° |
| C16 | C15 | C14 | C13 | 153.2° | 65.3° |
| C16 | C15 | C14 | H141 | 86.8° | 172.2° |
| C16 | C15 | C14 | H142 | 36.2° | 54.7° |
| C16 | C15 | O3 | C11 | 166.3° | 115.5° |
| C16 | C17 | S1 | H171 | 120.0° | 118.7° |
| C16 | C17 | S1 | H172 | 120.7° | 118.6° |
| C16 | C17 | H171 | H172 | 120.7° | 122.8° |
| C17 | C16 | C15 | O3 | 64.8° | 56.3° |
| C17 | C16 | C15 | C14 | 157.9° | 179.1° |
| C17 | C16 | C15 | O4 | 43.0° | 62.1° |
| H16 | C16 | C17 | S1 | 133.1° | 120.4° |
| H16 | C16 | C17 | H171 | 106.8° | 120.8° |
| H16 | C16 | C17 | H172 | 12.5° | 2.0° |
| H16 | C16 | C15 | O3 | 55.9° | 62.5° |
| H16 | C16 | C15 | C14 | 81.3° | 60.3° |
| H16 | C16 | C15 | O4 | 163.8° | 179.1° |
| S1 | C17 | H171 | H172 | 120.7° | 122.6° |
| O3 | C15 | C14 | O4 | 108.5° | 119.6° |
| O3 | C15 | O4 | HO4 | 57.0° | 60.9° |
| O3 | C15 | C14 | C13 | 21.1° | 56.4° |
| O3 | C15 | C14 | H141 | 141.1° | 66.1° |
| O3 | C15 | C14 | H142 | 95.9° | 176.5° |
| C15 | O3 | C11 | C12 | 34.6° | 54.1° |
| C15 | O3 | C11 | C10 | 178.7° | 175.4° |
| C15 | O3 | C11 | H11 | 63.7° | 65.5° |
| C14 | C15 | O4 | HO4 | 65.2° | 60.5° |
| C15 | C14 | C13 | H141 | 120.0° | 121.9° |
| C15 | C14 | C13 | H142 | 117.0° | 119.9° |
| C15 | C14 | H141 | H142 | 117.3° | 118.0° |
| C15 | C14 | C13 | C12 | 19.5° | 41.3° |
| C15 | C14 | C13 | O2 | 84.9° | 162.9° |
| C15 | C14 | C13 | H13 | 142.9° | 77.8° |
| C14 | C15 | O3 | C11 | 28.9° | 6.4° |
| O4 | C15 | C14 | C13 | 87.4° | 176.0° |
| O4 | C15 | C14 | H141 | 32.6° | 53.5° |
| O4 | C15 | C14 | H142 | 155.6° | 64.0° |
| O4 | C15 | O3 | C11 | 79.8° | 126.1° |
| C13 | C14 | H141 | H142 | 117.3° | 118.8° |
| C14 | C13 | C12 | O2 | 110.8° | 122.8° |
| C14 | C13 | C12 | H13 | 118.2° | 119.4° |
| C14 | C13 | O2 | H13 | 116.0° | 119.9° |
| C14 | C13 | O2 | C1 | 72.7° | 60.2° |
| C14 | C13 | C12 | C11 | 23.9° | 16.7° |
| C14 | C13 | C12 | H121 | 143.9° | 138.0° |
| C14 | C13 | C12 | H122 | 94.5° | 102.6° |
| H141 | C14 | C13 | C12 | 139.5° | 80.6° |
| H141 | C14 | C13 | O2 | 35.1° | 41.0° |
| H141 | C14 | C13 | H13 | 97.1° | 160.3° |
| H142 | C14 | C13 | C12 | 97.5° | 161.2° |
| H142 | C14 | C13 | O2 | 158.1° | 77.2° |
| H142 | C14 | C13 | H13 | 25.9° | 42.1° |
| C12 | C13 | O2 | H13 | 119.9° | 118.0° |
| C12 | C13 | O2 | C1 | 163.2° | 61.9° |
| C13 | C12 | C11 | H121 | 120.0° | 120.6° |
| C13 | C12 | C11 | H122 | 118.4° | 119.2° |
| C13 | C12 | H121 | H122 | 118.4° | 119.5° |
| C13 | C12 | C11 | C10 | 171.7° | 172.2° |
| C13 | C12 | C11 | O3 | 30.3° | 66.5° |
| C13 | C12 | C11 | H11 | 82.2° | 52.0° |
| O2 | C13 | C12 | C11 | 86.9° | 106.1° |
| O2 | C13 | C12 | H121 | 33.1° | 15.2° |
| O2 | C13 | C12 | H122 | 154.7° | 134.6° |
| C13 | O2 | C1 | C2 | 176.8° | 168.8° |
| C13 | O2 | C1 | O1 | 0.3° | 12.1° |
| H13 | C13 | O2 | C1 | 43.3° | 179.9° |
| H13 | C13 | C12 | C11 | 142.1° | 136.1° |
| H13 | C13 | C12 | H121 | 97.9° | 102.6° |
| H13 | C13 | C12 | H122 | 23.7° | 16.8° |
| O2 | C1 | C2 | C3 | 19.3° | 177.4° |
| O2 | C1 | C2 | O1 | 176.4° | 179.0° |
| O2 | C1 | C2 | H2 | 160.7° | 2.5° |
| C11 | C12 | H121 | H122 | 118.5° | 120.3° |
| C12 | C11 | C10 | O3 | 145.2° | 120.1° |
| C12 | C11 | C10 | H11 | 96.0° | 121.0° |
| C12 | C11 | O3 | H11 | 98.3° | 119.6° |
| C12 | C11 | C10 | C9 | 151.0° | 132.5° |
| C12 | C11 | C10 | H101 | 31.0° | 6.2° |
| C12 | C11 | C10 | H102 | 91.3° | 110.2° |
| H121 | C12 | C11 | C10 | 68.3° | 51.6° |
| H121 | C12 | C11 | O3 | 150.3° | 172.9° |
| H121 | C12 | C11 | H11 | 37.8° | 68.6° |
| H122 | C12 | C11 | C10 | 53.4° | 68.5° |
| H122 | C12 | C11 | O3 | 88.1° | 52.7° |
| H122 | C12 | C11 | H11 | 159.4° | 171.3° |
| C10 | C11 | O3 | H11 | 115.0° | 119.1° |
| C11 | C10 | C9 | H101 | 120.0° | 125.2° |
| C11 | C10 | C9 | H102 | 117.6° | 117.0° |
| C11 | C10 | H101 | H102 | 117.8° | 117.0° |
| C11 | C10 | C9 | C8 | 60.4° | 93.6° |
| C11 | C10 | C9 | H91 | 179.6° | 145.0° |
| C11 | C10 | C9 | H92 | 59.1° | 28.1° |
| O3 | C11 | C10 | C9 | 63.8° | 107.5° |
| O3 | C11 | C10 | H101 | 176.2° | 126.3° |
| O3 | C11 | C10 | H102 | 53.8° | 9.8° |
| H11 | C11 | C10 | C9 | 55.0° | 11.4° |
| H11 | C11 | C10 | H101 | 65.0° | 114.8° |
| H11 | C11 | C10 | H102 | 172.7° | 128.7° |
| C9 | C10 | H101 | H102 | 117.8° | 118.6° |
| C10 | C9 | C8 | H91 | 120.0° | 121.7° |
| C10 | C9 | C8 | H92 | 119.5° | 121.9° |
| C10 | C9 | H91 | H92 | 119.5° | 118.0° |
| C10 | C9 | C8 | C7 | 47.5° | 145.9° |
| C10 | C9 | C8 | C20 | 168.5° | 19.9° |
| C10 | C9 | C8 | H8 | 63.6° | 98.3° |
| H101 | C10 | C9 | C8 | 59.7° | 31.7° |
| H101 | C10 | C9 | H91 | 60.4° | 89.8° |
| H101 | C10 | C9 | H92 | 179.1° | 153.3° |
| H102 | C10 | C9 | C8 | 178.0° | 149.5° |
| H102 | C10 | C9 | H91 | 62.0° | 28.0° |
| H102 | C10 | C9 | H92 | 58.5° | 88.9° |
| C8 | C9 | H91 | H92 | 119.5° | 117.2° |
| C9 | C8 | C7 | C20 | 121.1° | 125.3° |
| C9 | C8 | C7 | H8 | 111.0° | 115.5° |
| C9 | C8 | C20 | H8 | 113.1° | 117.7° |
| C9 | C8 | C20 | H201 | 112.8° | 60.0° |
| C9 | C8 | C20 | H202 | 127.2° | 180.0° |
| C9 | C8 | C20 | H203 | 7.2° | 60.0° |
| C9 | C8 | C7 | C6 | 123.8° | 132.0° |
| C9 | C8 | C7 | H7 | 56.2° | 47.9° |
| H91 | C9 | C8 | C7 | 72.5° | 92.4° |
| H91 | C9 | C8 | C20 | 48.5° | 141.6° |
| H91 | C9 | C8 | H8 | 176.4° | 23.4° |
| H92 | C9 | C8 | C7 | 167.0° | 23.9° |
| H92 | C9 | C8 | C20 | 72.1° | 102.1° |
| H92 | C9 | C8 | H8 | 55.9° | 139.8° |
| C7 | C8 | C20 | H8 | 113.3° | 119.0° |
| C7 | C8 | C20 | H201 | 113.6° | 176.6° |
| C7 | C8 | C20 | H202 | 6.4° | 56.6° |
| C7 | C8 | C20 | H203 | 126.5° | 63.4° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 2.1° | 0.0° |
| C8 | C7 | C6 | H6 | 177.9° | 179.9° |
| C8 | C20 | H201 | H202 | 120.0° | 120.0° |
| C8 | C20 | H201 | H203 | 120.0° | 120.0° |
| C8 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C8 | C7 | C6 | 115.2° | 6.8° |
| C20 | C8 | C7 | H7 | 64.8° | 173.1° |
| H8 | C8 | C20 | H201 | 0.3° | 57.6° |
| H8 | C8 | C20 | H202 | 119.7° | 62.4° |
| H8 | C8 | C20 | H203 | 120.3° | 177.6° |
| H8 | C8 | C7 | C6 | 12.8° | 112.4° |
| H8 | C8 | C7 | H7 | 167.2° | 67.7° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 136.2° | 103.9° |
| C7 | C6 | C5 | H51 | 103.8° | 22.2° |
| C7 | C6 | C5 | H52 | 17.9° | 140.0° |
| H7 | C7 | C6 | C5 | 177.9° | 179.9° |
| H7 | C7 | C6 | H6 | 2.1° | 0.0° |
| C6 | C5 | C4 | H51 | 120.0° | 128.0° |
| C6 | C5 | C4 | H52 | 118.4° | 116.6° |
| C6 | C5 | H51 | H52 | 118.5° | 118.7° |
| C6 | C5 | C4 | C3 | 175.4° | 153.4° |
| C6 | C5 | C4 | H41 | 64.5° | 88.4° |
| C6 | C5 | C4 | H42 | 61.3° | 29.0° |
| H6 | C6 | C5 | C4 | 43.8° | 76.0° |
| H6 | C6 | C5 | H51 | 76.2° | 157.9° |
| H6 | C6 | C5 | H52 | 162.1° | 40.1° |
| C4 | C5 | H51 | H52 | 118.4° | 115.9° |
| C5 | C4 | C3 | H41 | 120.0° | 118.0° |
| C5 | C4 | C3 | H42 | 114.2° | 123.4° |
| C5 | C4 | H41 | H42 | 115.1° | 119.0° |
| C5 | C4 | C3 | C2 | 97.1° | 104.9° |
| C5 | C4 | C3 | C19 | 81.1° | 75.3° |
| H51 | C5 | C4 | C3 | 55.4° | 25.4° |
| H51 | C5 | C4 | H41 | 175.5° | 143.7° |
| H51 | C5 | C4 | H42 | 58.7° | 99.0° |
| H52 | C5 | C4 | C3 | 66.2° | 90.1° |
| H52 | C5 | C4 | H41 | 53.8° | 28.2° |
| H52 | C5 | C4 | H42 | 179.6° | 145.5° |
| C3 | C4 | H41 | H42 | 115.2° | 121.3° |
| C4 | C3 | C2 | C19 | 178.1° | 179.8° |
| C4 | C3 | C19 | H191 | 46.4° | 90.0° |
| C4 | C3 | C19 | H192 | 73.6° | 150.0° |
| C4 | C3 | C19 | H193 | 166.3° | 30.0° |
| C4 | C3 | C2 | C1 | 5.1° | 0.3° |
| C4 | C3 | C2 | H2 | 174.9° | 179.8° |
| H41 | C4 | C3 | C2 | 22.9° | 137.1° |
| H41 | C4 | C3 | C19 | 158.8° | 42.7° |
| H42 | C4 | C3 | C2 | 148.7° | 18.5° |
| H42 | C4 | C3 | C19 | 33.0° | 161.3° |
| C2 | C3 | C19 | H191 | 135.3° | 89.8° |
| C2 | C3 | C19 | H192 | 104.8° | 30.2° |
| C2 | C3 | C19 | H193 | 15.3° | 150.2° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | O1 | 157.0° | 3.6° |
| C3 | C19 | H191 | H192 | 120.0° | 120.0° |
| C3 | C19 | H191 | H193 | 120.0° | 120.0° |
| C3 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C3 | C2 | C1 | 176.8° | 179.9° |
| C19 | C3 | C2 | H2 | 3.2° | 0.0° |
| H191 | C19 | H192 | H193 | 119.9° | 120.0° |
| H2 | C2 | C1 | O1 | 22.9° | 176.5° |
