TOK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.41Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C10 | sing | 1.50Å | 1.52Å | |
| C6 | C5 | doub | 1.30Å | 1.34Å | |
| C6 | C7 | sing | 1.50Å | 1.51Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C14 | sing | 1.52Å | 1.54Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C1 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.52Å | 1.53Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | C17 | sing | 1.49Å | 1.51Å | |
| C14 | C13 | sing | 1.56Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.33Å | 1.33Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | N48 | sing | 1.39Å | 1.41Å | |
| C18 | C13 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | C10 | sing | 1.53Å | 1.52Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| N48 | C52 | sing | 1.36Å | 1.34Å | Aromatic |
| N48 | C49 | sing | 1.38Å | 1.32Å | Aromatic |
| C49 | C53 | sing | 1.39Å | 1.40Å | Aromatic |
| C49 | C50 | doub | 1.41Å | 1.41Å | Aromatic |
| C50 | C56 | sing | 1.40Å | 1.40Å | Aromatic |
| N51 | C50 | sing | 1.36Å | 1.35Å | Aromatic |
| C52 | N51 | doub | 1.30Å | 1.32Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C53 | C54 | doub | 1.38Å | 1.41Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | C55 | sing | 1.39Å | 1.41Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | C55 | doub | 1.37Å | 1.40Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | C1 | H1A | 110.2° | 109.5° |
| H1 | C1 | C2 | 108.8° | 109.5° |
| H1 | C1 | C10 | 108.7° | 109.5° |
| H1A | C1 | C2 | 108.8° | 109.5° |
| H1A | C1 | C10 | 108.8° | 109.5° |
| C1 | C2 | H2 | 110.4° | 109.5° |
| C1 | C2 | H2A | 110.4° | 109.5° |
| C1 | C2 | C3 | 106.6° | 109.7° |
| C2 | C1 | C10 | 111.6° | 109.4° |
| H2 | C2 | H2A | 108.5° | 109.4° |
| H2 | C2 | C3 | 110.5° | 109.4° |
| H2A | C2 | C3 | 110.4° | 109.4° |
| C2 | C3 | H3 | 104.2° | 109.4° |
| C2 | C3 | O3 | 115.1° | 109.4° |
| C2 | C3 | C4 | 111.2° | 109.4° |
| H3 | C3 | O3 | 106.3° | 109.5° |
| H3 | C3 | C4 | 110.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C3 | C4 | 109.3° | 109.5° |
| C3 | C4 | C5 | 102.4° | 108.4° |
| C3 | C4 | H4 | 111.9° | 109.7° |
| C3 | C4 | H4A | 111.9° | 109.7° |
| C5 | C4 | H4 | 111.9° | 109.6° |
| C5 | C4 | H4A | 111.9° | 109.7° |
| C4 | C5 | C10 | 119.9° | 117.9° |
| C4 | C5 | C6 | 117.3° | 118.2° |
| H4 | C4 | H4A | 107.0° | 109.7° |
| C10 | C5 | C6 | 122.8° | 123.8° |
| C5 | C10 | C1 | 107.4° | 109.4° |
| C5 | C10 | C9 | 113.1° | 113.4° |
| C5 | C10 | C19 | 105.0° | 108.2° |
| C5 | C6 | C7 | 122.8° | 123.0° |
| C5 | C6 | H6 | 118.6° | 118.5° |
| C7 | C6 | H6 | 118.6° | 118.5° |
| C6 | C7 | C8 | 114.4° | 109.3° |
| C6 | C7 | H7 | 107.9° | 109.5° |
| C6 | C7 | H7A | 107.9° | 109.5° |
| C8 | C7 | H7 | 107.9° | 109.5° |
| C8 | C7 | H7A | 107.8° | 109.6° |
| C7 | C8 | C14 | 116.0° | 109.5° |
| C7 | C8 | C9 | 115.1° | 108.1° |
| C7 | C8 | H8 | 99.4° | 110.4° |
| H7 | C7 | H7A | 111.1° | 109.5° |
| C14 | C8 | C9 | 106.4° | 107.2° |
| C14 | C8 | H8 | 109.4° | 110.3° |
| C8 | C14 | C13 | 114.4° | 106.3° |
| C8 | C14 | H14 | 94.7° | 111.2° |
| C8 | C14 | C15 | 121.3° | 116.6° |
| C9 | C8 | H8 | 110.4° | 111.2° |
| C8 | C9 | C11 | 109.0° | 112.3° |
| C8 | C9 | H9 | 108.3° | 108.3° |
| C8 | C9 | C10 | 113.0° | 110.4° |
| C11 | C9 | H9 | 109.3° | 108.3° |
| C11 | C9 | C10 | 112.2° | 109.8° |
| C9 | C11 | C12 | 113.1° | 112.1° |
| C9 | C11 | H11 | 108.3° | 108.9° |
| C9 | C11 | H11A | 108.3° | 108.9° |
| H9 | C9 | C10 | 104.8° | 107.7° |
| C1 | C10 | C9 | 108.4° | 110.0° |
| C1 | C10 | C19 | 114.2° | 108.1° |
| C9 | C10 | C19 | 108.8° | 107.6° |
| C12 | C11 | H11 | 108.3° | 109.0° |
| C12 | C11 | H11A | 108.3° | 109.0° |
| C11 | C12 | H12 | 109.1° | 110.0° |
| C11 | C12 | H12A | 109.1° | 110.0° |
| C11 | C12 | C13 | 110.6° | 106.7° |
| H11 | C11 | H11A | 110.6° | 108.9° |
| H12 | C12 | H12A | 109.9° | 110.0° |
| H12 | C12 | C13 | 109.1° | 110.0° |
| H12A | C12 | C13 | 109.1° | 110.1° |
| C12 | C13 | C17 | 120.0° | 119.2° |
| C12 | C13 | C14 | 104.8° | 107.1° |
| C12 | C13 | C18 | 110.6° | 109.3° |
| C17 | C13 | C14 | 98.9° | 103.0° |
| C13 | C17 | C16 | 108.9° | 108.8° |
| C13 | C17 | N48 | 129.9° | 125.6° |
| C17 | C13 | C18 | 106.1° | 109.2° |
| C13 | C14 | H14 | 115.5° | 111.7° |
| C13 | C14 | C15 | 103.7° | 98.0° |
| C14 | C13 | C18 | 116.4° | 108.5° |
| H14 | C14 | C15 | 107.5° | 112.1° |
| C14 | C15 | C16 | 101.9° | 101.7° |
| C14 | C15 | H15 | 112.1° | 111.0° |
| C14 | C15 | H15A | 112.1° | 111.0° |
| C16 | C15 | H15 | 112.1° | 111.0° |
| C15 | C16 | C17 | 110.9° | 109.9° |
| C15 | C16 | H16 | 124.6° | 125.0° |
| C16 | C15 | H15A | 112.0° | 111.0° |
| H15 | C15 | H15A | 106.7° | 110.8° |
| C17 | C16 | H16 | 124.6° | 125.1° |
| C16 | C17 | N48 | 121.2° | 125.6° |
| C17 | N48 | C52 | 120.7° | 126.4° |
| C17 | N48 | C49 | 126.0° | 126.4° |
| C13 | C18 | H18 | 109.5° | 109.5° |
| C13 | C18 | H18A | 109.5° | 109.5° |
| C13 | C18 | H18B | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| C10 | C19 | H19 | 109.5° | 109.4° |
| C10 | C19 | H19A | 109.5° | 109.5° |
| C10 | C19 | H19B | 109.4° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.4° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| C52 | N48 | C49 | 113.3° | 107.2° |
| N48 | C52 | N51 | 106.6° | 110.0° |
| N48 | C52 | H52 | 126.7° | 125.0° |
| N48 | C49 | C53 | 135.7° | 134.1° |
| N48 | C49 | C50 | 102.6° | 106.0° |
| C53 | C49 | C50 | 121.6° | 119.8° |
| C49 | C53 | C54 | 117.4° | 119.7° |
| C49 | C53 | H53 | 121.3° | 120.2° |
| C49 | C50 | C56 | 120.3° | 119.5° |
| C49 | C50 | N51 | 108.9° | 107.0° |
| C56 | C50 | N51 | 130.8° | 133.5° |
| C50 | C56 | C55 | 119.2° | 119.9° |
| C50 | C56 | H56 | 120.4° | 120.1° |
| C50 | N51 | C52 | 108.5° | 109.7° |
| N51 | C52 | H52 | 126.7° | 125.0° |
| C54 | C53 | H53 | 121.3° | 120.1° |
| C53 | C54 | C55 | 121.3° | 120.4° |
| C53 | C54 | H54 | 119.4° | 119.8° |
| C55 | C54 | H54 | 119.3° | 119.8° |
| C54 | C55 | H55 | 119.9° | 119.6° |
| C54 | C55 | C56 | 120.1° | 120.7° |
| H55 | C55 | C56 | 119.9° | 119.7° |
| C55 | C56 | H56 | 120.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | C1 | H1A | C2 | 119.1° | 120.1° |
| H1 | C1 | H1A | C10 | 119.1° | 120.0° |
| H1 | C1 | C2 | C10 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 179.5° | 177.2° |
| H1 | C1 | C2 | H2A | 59.5° | 62.9° |
| H1 | C1 | C2 | C3 | 60.5° | 57.1° |
| H1 | C1 | C10 | C5 | 70.1° | 65.8° |
| H1 | C1 | C10 | C9 | 52.4° | 59.4° |
| H1 | C1 | C10 | C19 | 173.9° | 176.6° |
| H1A | C1 | C2 | C10 | 120.0° | 120.0° |
| H1A | C1 | C2 | H2 | 59.5° | 62.8° |
| H1A | C1 | C2 | H2A | 60.5° | 57.2° |
| H1A | C1 | C2 | C3 | 179.5° | 177.2° |
| H1A | C1 | C10 | C5 | 169.9° | 174.2° |
| H1A | C1 | C10 | C9 | 67.6° | 60.6° |
| H1A | C1 | C10 | C19 | 53.9° | 56.6° |
| C1 | C2 | H2 | H2A | 121.2° | 120.0° |
| C1 | C2 | H2 | C3 | 117.7° | 120.2° |
| C1 | C2 | H2A | C3 | 117.6° | 120.2° |
| C1 | C2 | C3 | H3 | 50.4° | 56.2° |
| C1 | C2 | C3 | O3 | 166.3° | 176.2° |
| C1 | C2 | C3 | C4 | 68.8° | 63.8° |
| C2 | C1 | C10 | C5 | 49.9° | 54.2° |
| C2 | C1 | C10 | C9 | 172.4° | 179.3° |
| C2 | C1 | C10 | C19 | 66.1° | 63.4° |
| H2 | C2 | H2A | C3 | 121.2° | 119.8° |
| H2 | C2 | C3 | H3 | 170.4° | 176.3° |
| H2 | C2 | C3 | O3 | 73.7° | 63.7° |
| H2 | C2 | C3 | C4 | 51.2° | 56.3° |
| H2 | C2 | C1 | C10 | 60.5° | 57.2° |
| H2A | C2 | C3 | H3 | 69.6° | 63.9° |
| H2A | C2 | C3 | O3 | 46.3° | 56.1° |
| H2A | C2 | C3 | C4 | 171.2° | 176.1° |
| H2A | C2 | C1 | C10 | 179.5° | 177.2° |
| C2 | C3 | H3 | O3 | 122.0° | 120.0° |
| C2 | C3 | H3 | C4 | 119.5° | 119.9° |
| C2 | C3 | O3 | C4 | 125.9° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 63.6° | 55.2° |
| C2 | C3 | C4 | H4 | 56.4° | 64.5° |
| C2 | C3 | C4 | H4A | 176.4° | 174.9° |
| C3 | C2 | C1 | C10 | 59.5° | 62.8° |
| H3 | C3 | O3 | C4 | 119.4° | 120.1° |
| H3 | C3 | O3 | HO3 | 65.3° | 60.0° |
| H3 | C3 | C4 | C5 | 51.6° | 64.8° |
| H3 | C3 | C4 | H4 | 171.6° | 175.5° |
| H3 | C3 | C4 | H4A | 68.4° | 54.9° |
| O3 | C3 | C4 | C5 | 168.2° | 175.1° |
| O3 | C3 | C4 | H4 | 71.8° | 55.4° |
| O3 | C3 | C4 | H4A | 48.3° | 65.2° |
| HO3 | O3 | C3 | C4 | 54.1° | 60.1° |
| C3 | C4 | C5 | H4 | 120.0° | 119.7° |
| C3 | C4 | C5 | H4A | 120.0° | 119.7° |
| C3 | C4 | H4 | H4A | 122.9° | 120.6° |
| C3 | C4 | C5 | C10 | 57.6° | 51.3° |
| C3 | C4 | C5 | C6 | 123.5° | 128.8° |
| C5 | C4 | H4 | H4A | 122.9° | 120.5° |
| C4 | C5 | C10 | C6 | 178.8° | 179.9° |
| C4 | C5 | C6 | C7 | 161.5° | 179.7° |
| C4 | C5 | C6 | H6 | 18.5° | 0.5° |
| C4 | C5 | C10 | C1 | 52.0° | 51.0° |
| C4 | C5 | C10 | C9 | 171.5° | 174.2° |
| C4 | C5 | C10 | C19 | 70.0° | 66.6° |
| H4 | C4 | C5 | C10 | 62.4° | 68.4° |
| H4 | C4 | C5 | C6 | 116.5° | 111.5° |
| H4A | C4 | C5 | C10 | 177.6° | 171.1° |
| H4A | C4 | C5 | C6 | 3.5° | 9.1° |
| C10 | C5 | C6 | C7 | 17.4° | 0.5° |
| C10 | C5 | C6 | H6 | 162.6° | 179.4° |
| C5 | C10 | C9 | C8 | 41.6° | 37.1° |
| C5 | C10 | C9 | C11 | 165.3° | 161.5° |
| C5 | C10 | C9 | H9 | 76.2° | 80.9° |
| C5 | C10 | C1 | C9 | 122.5° | 125.2° |
| C5 | C10 | C1 | C19 | 116.0° | 117.6° |
| C5 | C10 | C9 | C19 | 116.3° | 119.6° |
| C5 | C10 | C19 | H19 | 180.0° | 67.7° |
| C5 | C10 | C19 | H19A | 60.0° | 172.4° |
| C5 | C10 | C19 | H19B | 60.0° | 52.3° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 10.5° | 26.3° |
| C5 | C6 | C7 | H7 | 109.5° | 146.3° |
| C5 | C6 | C7 | H7A | 130.4° | 93.7° |
| C6 | C5 | C10 | C1 | 129.2° | 129.2° |
| C6 | C5 | C10 | C9 | 9.7° | 6.0° |
| C6 | C5 | C10 | C19 | 108.8° | 113.3° |
| C6 | C7 | C8 | H7 | 120.0° | 119.9° |
| C6 | C7 | C8 | H7A | 120.0° | 119.9° |
| C6 | C7 | H7 | H7A | 118.0° | 120.0° |
| C6 | C7 | C8 | C14 | 147.8° | 172.6° |
| C6 | C7 | C8 | C9 | 22.7° | 56.0° |
| C6 | C7 | C8 | H8 | 95.1° | 65.8° |
| H6 | C6 | C7 | C8 | 169.6° | 153.5° |
| H6 | C6 | C7 | H7 | 70.5° | 33.6° |
| H6 | C6 | C7 | H7A | 49.6° | 86.5° |
| C8 | C7 | H7 | H7A | 118.0° | 120.2° |
| C7 | C8 | C14 | C9 | 129.4° | 117.1° |
| C7 | C8 | C14 | H8 | 111.4° | 121.7° |
| C7 | C8 | C9 | H8 | 111.5° | 121.3° |
| C7 | C8 | C9 | C11 | 173.9° | 174.2° |
| C7 | C8 | C9 | H9 | 67.3° | 54.7° |
| C7 | C8 | C9 | C10 | 48.4° | 62.9° |
| C7 | C8 | C14 | C13 | 167.2° | 178.2° |
| C7 | C8 | C14 | H14 | 72.0° | 60.0° |
| C7 | C8 | C14 | C15 | 41.7° | 70.2° |
| H7 | C7 | C8 | C14 | 92.2° | 67.5° |
| H7 | C7 | C8 | C9 | 142.7° | 175.9° |
| H7 | C7 | C8 | H8 | 24.9° | 54.1° |
| H7A | C7 | C8 | C14 | 27.8° | 52.6° |
| H7A | C7 | C8 | C9 | 97.3° | 63.9° |
| H7A | C7 | C8 | H8 | 144.9° | 174.3° |
| C14 | C8 | C9 | H8 | 118.5° | 120.7° |
| C14 | C8 | C9 | C11 | 56.2° | 56.2° |
| C14 | C8 | C9 | H9 | 62.6° | 63.3° |
| C14 | C8 | C9 | C10 | 178.3° | 179.0° |
| C8 | C14 | C13 | C12 | 63.1° | 72.1° |
| C8 | C14 | C13 | C17 | 172.5° | 161.4° |
| C8 | C14 | C13 | H14 | 108.5° | 121.5° |
| C8 | C14 | C13 | C15 | 134.3° | 120.8° |
| C8 | C14 | H14 | C15 | 124.9° | 132.5° |
| C8 | C14 | C15 | C16 | 159.3° | 151.8° |
| C8 | C14 | C15 | H15 | 39.3° | 33.7° |
| C8 | C14 | C13 | C18 | 59.4° | 45.7° |
| C8 | C14 | C15 | H15A | 80.7° | 90.1° |
| C8 | C9 | C11 | H9 | 118.2° | 119.5° |
| C8 | C9 | C11 | C10 | 126.0° | 123.2° |
| C8 | C9 | H9 | C10 | 121.0° | 119.4° |
| C8 | C9 | C10 | C1 | 160.6° | 160.1° |
| C8 | C9 | C11 | C12 | 57.3° | 52.5° |
| C8 | C9 | C11 | H11 | 177.3° | 173.2° |
| C8 | C9 | C11 | H11A | 62.7° | 68.2° |
| C9 | C8 | C14 | C13 | 63.4° | 64.7° |
| C9 | C8 | C14 | H14 | 57.4° | 57.1° |
| C9 | C8 | C14 | C15 | 171.1° | 172.7° |
| C8 | C9 | C10 | C19 | 74.7° | 82.4° |
| H8 | C8 | C9 | C11 | 62.4° | 64.5° |
| H8 | C8 | C9 | H9 | 178.9° | 176.0° |
| H8 | C8 | C9 | C10 | 63.1° | 58.3° |
| H8 | C8 | C14 | C13 | 55.8° | 56.5° |
| H8 | C8 | C14 | H14 | 176.6° | 178.3° |
| H8 | C8 | C14 | C15 | 69.7° | 51.5° |
| C11 | C9 | H9 | C10 | 120.4° | 118.6° |
| C11 | C9 | C10 | C1 | 75.7° | 75.6° |
| C9 | C11 | C12 | H11 | 120.0° | 120.6° |
| C9 | C11 | C12 | H11A | 120.0° | 120.7° |
| C9 | C11 | H11 | H11A | 118.5° | 118.7° |
| C9 | C11 | C12 | H12 | 61.2° | 62.8° |
| C9 | C11 | C12 | H12A | 178.8° | 175.9° |
| C9 | C11 | C12 | C13 | 58.9° | 56.5° |
| C11 | C9 | C10 | C19 | 49.1° | 41.9° |
| H9 | C9 | C10 | C1 | 42.8° | 42.0° |
| H9 | C9 | C11 | C12 | 60.9° | 67.0° |
| H9 | C9 | C11 | H11 | 59.1° | 53.7° |
| H9 | C9 | C11 | H11A | 179.1° | 172.3° |
| H9 | C9 | C10 | C19 | 167.5° | 159.6° |
| C1 | C10 | C9 | C19 | 124.8° | 117.5° |
| C1 | C10 | C19 | H19 | 62.6° | 173.9° |
| C1 | C10 | C19 | H19A | 57.4° | 54.0° |
| C1 | C10 | C19 | H19B | 177.4° | 66.1° |
| C10 | C9 | C11 | C12 | 176.7° | 175.8° |
| C10 | C9 | C11 | H11 | 56.7° | 63.6° |
| C10 | C9 | C11 | H11A | 63.3° | 55.1° |
| C9 | C10 | C19 | H19 | 58.6° | 55.1° |
| C9 | C10 | C19 | H19A | 178.6° | 64.8° |
| C9 | C10 | C19 | H19B | 61.4° | 175.1° |
| C12 | C11 | H11 | H11A | 118.5° | 118.8° |
| C11 | C12 | H12 | H12A | 119.5° | 121.3° |
| C11 | C12 | H12 | C13 | 120.9° | 117.3° |
| C11 | C12 | H12A | C13 | 120.9° | 117.4° |
| C11 | C12 | C13 | C17 | 167.2° | 178.2° |
| C11 | C12 | C13 | C14 | 57.4° | 65.7° |
| C11 | C12 | C13 | C18 | 68.8° | 51.6° |
| H11 | C11 | C12 | H12 | 58.9° | 57.8° |
| H11 | C11 | C12 | H12A | 61.1° | 63.5° |
| H11 | C11 | C12 | C13 | 178.9° | 177.1° |
| H11A | C11 | C12 | H12 | 178.9° | 176.6° |
| H11A | C11 | C12 | H12A | 58.8° | 55.2° |
| H11A | C11 | C12 | C13 | 61.1° | 64.2° |
| H12 | C12 | H12A | C13 | 119.5° | 121.3° |
| H12 | C12 | C13 | C17 | 47.1° | 62.6° |
| H12 | C12 | C13 | C14 | 62.6° | 53.6° |
| H12 | C12 | C13 | C18 | 171.2° | 170.9° |
| H12A | C12 | C13 | C17 | 72.9° | 58.8° |
| H12A | C12 | C13 | C14 | 177.4° | 174.9° |
| H12A | C12 | C13 | C18 | 51.2° | 67.7° |
| C12 | C13 | C17 | C14 | 112.9° | 118.3° |
| C12 | C13 | C17 | C18 | 126.2° | 126.5° |
| C12 | C13 | C14 | C18 | 122.6° | 117.8° |
| C12 | C13 | C14 | H14 | 45.3° | 49.4° |
| C12 | C13 | C14 | C15 | 162.6° | 167.1° |
| C12 | C13 | C17 | C16 | 148.3° | 145.6° |
| C12 | C13 | C17 | N48 | 30.6° | 34.4° |
| C12 | C13 | C18 | H18 | 180.0° | 54.5° |
| C12 | C13 | C18 | H18A | 60.0° | 174.4° |
| C12 | C13 | C18 | H18B | 60.0° | 65.5° |
| C17 | C13 | C14 | C18 | 113.1° | 115.7° |
| C17 | C13 | C14 | H14 | 79.0° | 77.1° |
| C17 | C13 | C14 | C15 | 38.2° | 40.6° |
| C13 | C17 | C16 | C15 | 18.2° | 1.3° |
| C13 | C17 | C16 | N48 | 179.0° | 180.0° |
| C13 | C17 | C16 | H16 | 161.8° | 178.7° |
| C17 | C13 | C18 | H18 | 48.3° | 173.5° |
| C17 | C13 | C18 | H18A | 71.7° | 53.5° |
| C17 | C13 | C18 | H18B | 168.3° | 66.5° |
| C13 | C17 | N48 | C52 | 144.6° | 75.0° |
| C13 | C17 | N48 | C49 | 35.0° | 105.2° |
| C13 | C14 | H14 | C15 | 115.1° | 108.9° |
| C13 | C14 | C15 | C16 | 29.0° | 39.0° |
| C13 | C14 | C15 | H15 | 91.0° | 79.2° |
| C14 | C13 | C17 | C16 | 35.4° | 27.3° |
| C14 | C13 | C17 | N48 | 143.5° | 152.7° |
| C14 | C13 | C18 | H18 | 60.5° | 61.9° |
| C14 | C13 | C18 | H18A | 179.5° | 58.0° |
| C14 | C13 | C18 | H18B | 59.4° | 178.1° |
| C13 | C14 | C15 | H15A | 149.0° | 157.1° |
| H14 | C14 | C15 | C16 | 93.7° | 78.4° |
| H14 | C14 | C15 | H15 | 146.3° | 163.5° |
| H14 | C14 | C13 | C18 | 167.9° | 167.2° |
| H14 | C14 | C15 | H15A | 26.3° | 39.7° |
| C14 | C15 | C16 | H15 | 120.0° | 118.1° |
| C14 | C15 | C16 | H15A | 120.0° | 118.2° |
| C14 | C15 | H15 | H15A | 123.1° | 123.8° |
| C14 | C15 | C16 | C17 | 7.3° | 25.5° |
| C14 | C15 | C16 | H16 | 172.7° | 154.5° |
| C15 | C14 | C13 | C18 | 74.9° | 75.1° |
| C16 | C15 | H15 | H15A | 123.0° | 123.8° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | N48 | 160.8° | 178.7° |
| H15 | C15 | C16 | C17 | 112.7° | 92.7° |
| H15 | C15 | C16 | H16 | 67.3° | 87.4° |
| C16 | C17 | C13 | C18 | 85.5° | 87.8° |
| C16 | C17 | N48 | C52 | 34.2° | 105.0° |
| C16 | C17 | N48 | C49 | 146.3° | 74.8° |
| C17 | C16 | C15 | H15A | 127.3° | 143.6° |
| H16 | C16 | C17 | N48 | 19.2° | 1.2° |
| H16 | C16 | C15 | H15A | 52.7° | 36.3° |
| N48 | C17 | C13 | C18 | 95.6° | 92.1° |
| C17 | N48 | C52 | C49 | 179.6° | 179.8° |
| C17 | N48 | C49 | C53 | 0.9° | 0.1° |
| C17 | N48 | C49 | C50 | 178.9° | 180.0° |
| C17 | N48 | C52 | N51 | 178.9° | 179.8° |
| C17 | N48 | C52 | H52 | 1.0° | 0.1° |
| C13 | C18 | H18 | H18A | 120.0° | 120.0° |
| C13 | C18 | H18 | H18B | 120.0° | 120.0° |
| C13 | C18 | H18A | H18B | 120.0° | 120.1° |
| H18 | C18 | H18A | H18B | 119.9° | 120.0° |
| C10 | C19 | H19 | H19A | 120.0° | 120.0° |
| C10 | C19 | H19 | H19B | 120.0° | 120.0° |
| C10 | C19 | H19A | H19B | 120.0° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| C52 | N48 | C49 | C53 | 179.5° | 179.7° |
| C52 | N48 | C49 | C50 | 1.5° | 0.2° |
| N48 | C52 | N51 | C50 | 0.7° | 0.5° |
| N48 | C52 | N51 | H52 | 180.0° | 179.8° |
| N48 | C49 | C53 | C50 | 177.8° | 179.9° |
| N48 | C49 | C50 | C56 | 179.9° | 180.0° |
| N48 | C49 | C50 | N51 | 1.0° | 0.1° |
| C49 | N48 | C52 | N51 | 1.5° | 0.4° |
| C49 | N48 | C52 | H52 | 178.6° | 179.8° |
| N48 | C49 | C53 | C54 | 179.4° | 180.0° |
| N48 | C49 | C53 | H53 | 0.5° | 0.1° |
| C53 | C49 | C50 | C56 | 1.7° | 0.1° |
| C53 | C49 | C50 | N51 | 179.4° | 180.0° |
| C49 | C53 | C54 | H53 | 180.0° | 179.9° |
| C49 | C53 | C54 | C55 | 0.6° | 0.1° |
| C49 | C53 | C54 | H54 | 179.4° | 179.9° |
| C49 | C50 | C56 | N51 | 178.6° | 179.9° |
| C49 | C50 | N51 | C52 | 0.2° | 0.4° |
| C50 | C49 | C53 | C54 | 1.7° | 0.1° |
| C50 | C49 | C53 | H53 | 178.3° | 180.0° |
| C49 | C50 | C56 | C55 | 0.5° | 0.0° |
| C49 | C50 | C56 | H56 | 179.4° | 179.9° |
| C56 | C50 | N51 | C52 | 178.9° | 179.7° |
| C50 | C56 | C55 | C54 | 2.7° | 0.0° |
| C50 | C56 | C55 | H55 | 177.3° | 180.0° |
| C50 | C56 | C55 | H56 | 180.0° | 180.0° |
| C50 | N51 | C52 | H52 | 179.3° | 179.7° |
| N51 | C50 | C56 | C55 | 178.1° | 179.9° |
| N51 | C50 | C56 | H56 | 1.9° | 0.0° |
| C53 | C54 | C55 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | H55 | 177.2° | 180.0° |
| C53 | C54 | C55 | C56 | 2.8° | 0.0° |
| H53 | C53 | C54 | C55 | 179.4° | 180.0° |
| H53 | C53 | C54 | H54 | 0.6° | 0.0° |
| C54 | C55 | H55 | C56 | 180.0° | 180.0° |
| C54 | C55 | C56 | H56 | 177.2° | 180.0° |
| H54 | C54 | C55 | H55 | 2.8° | 0.1° |
| H54 | C54 | C55 | C56 | 177.2° | 180.0° |
| H55 | C55 | C56 | H56 | 2.8° | 0.0° |
