FAR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | doub | 1.31Å | 1.35Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C5 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | doub | 1.31Å | 1.34Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.51Å | 1.49Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | doub | 1.31Å | 1.35Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C4 | H43 | sing | 1.09Å | 1.12Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 120.6° | 109.4° |
| C2 | C1 | H12A | 108.3° | 109.5° |
| C2 | C1 | H13 | 108.3° | 109.5° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C1 | C2 | H2 | 125.1° | 120.0° |
| H11 | C1 | H12A | 108.2° | 109.5° |
| H11 | C1 | H13 | 108.2° | 109.4° |
| H12A | C1 | H13 | 101.7° | 109.5° |
| C3 | C2 | H2 | 114.3° | 120.0° |
| C2 | C3 | C5 | 123.3° | 120.0° |
| C2 | C3 | C4 | 121.6° | 120.0° |
| C5 | C3 | C4 | 115.1° | 120.0° |
| C3 | C5 | C6 | 108.2° | 109.5° |
| C3 | C5 | H51 | 112.6° | 109.5° |
| C3 | C5 | H52 | 112.7° | 109.5° |
| C3 | C4 | H41 | 121.6° | 109.5° |
| C3 | C4 | H42 | 107.9° | 109.4° |
| C3 | C4 | H43 | 107.9° | 109.5° |
| C6 | C5 | H51 | 112.7° | 109.5° |
| C6 | C5 | H52 | 112.7° | 109.4° |
| C5 | C6 | C7 | 107.3° | 109.5° |
| C5 | C6 | H61 | 113.0° | 109.5° |
| C5 | C6 | H62 | 113.0° | 109.5° |
| H51 | C5 | H52 | 97.8° | 109.4° |
| C7 | C6 | H61 | 113.0° | 109.5° |
| C7 | C6 | H62 | 113.0° | 109.4° |
| C6 | C7 | C8 | 119.4° | 120.0° |
| C6 | C7 | H7 | 125.9° | 120.0° |
| H61 | C6 | H62 | 97.5° | 109.4° |
| C8 | C7 | H7 | 114.6° | 120.1° |
| C7 | C8 | C9 | 125.0° | 120.0° |
| C7 | C8 | C10 | 118.3° | 120.0° |
| C9 | C8 | C10 | 116.7° | 120.0° |
| C8 | C9 | C11 | 109.3° | 109.5° |
| C8 | C9 | H91 | 112.3° | 109.5° |
| C8 | C9 | H92 | 112.3° | 109.5° |
| C8 | C10 | H101 | 118.3° | 109.5° |
| C8 | C10 | H102 | 109.0° | 109.5° |
| C8 | C10 | H103 | 109.0° | 109.5° |
| C11 | C9 | H91 | 112.3° | 109.5° |
| C11 | C9 | H92 | 112.3° | 109.4° |
| C9 | C11 | C12 | 107.5° | 109.5° |
| C9 | C11 | H111 | 112.9° | 109.5° |
| C9 | C11 | H112 | 112.9° | 109.4° |
| H91 | C9 | H92 | 98.1° | 109.5° |
| C12 | C11 | H111 | 112.9° | 109.5° |
| C12 | C11 | H112 | 112.9° | 109.5° |
| C11 | C12 | C13 | 126.5° | 120.0° |
| C11 | C12 | H12 | 122.7° | 120.0° |
| H111 | C11 | H112 | 97.6° | 109.5° |
| C13 | C12 | H12 | 110.8° | 120.0° |
| C12 | C13 | C14 | 121.3° | 120.0° |
| C12 | C13 | C15 | 121.7° | 120.0° |
| C14 | C13 | C15 | 117.0° | 120.0° |
| C13 | C14 | H141 | 121.2° | 109.5° |
| C13 | C14 | H142 | 108.0° | 109.5° |
| C13 | C14 | H143 | 108.0° | 109.4° |
| C13 | C15 | H151 | 121.8° | 109.5° |
| C13 | C15 | H152 | 107.8° | 109.5° |
| C13 | C15 | H153 | 107.9° | 109.5° |
| H141 | C14 | H142 | 108.1° | 109.5° |
| H141 | C14 | H143 | 108.0° | 109.5° |
| H142 | C14 | H143 | 101.9° | 109.4° |
| H151 | C15 | H152 | 107.8° | 109.5° |
| H151 | C15 | H153 | 107.8° | 109.4° |
| H152 | C15 | H153 | 102.0° | 109.5° |
| H41 | C4 | H42 | 107.9° | 109.5° |
| H41 | C4 | H43 | 107.9° | 109.5° |
| H42 | C4 | H43 | 101.9° | 109.4° |
| H101 | C10 | H102 | 109.0° | 109.4° |
| H101 | C10 | H103 | 109.1° | 109.4° |
| H102 | C10 | H103 | 101.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12A | 125.3° | 120.0° |
| C2 | C1 | H11 | H13 | 125.3° | 120.0° |
| C2 | C1 | H12A | H13 | 114.0° | 120.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C5 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| H11 | C1 | H12A | H13 | 113.8° | 120.0° |
| H11 | C1 | C2 | C3 | 180.0° | 60.0° |
| H11 | C1 | C2 | H2 | 0.0° | 120.0° |
| H12A | C1 | C2 | C3 | 54.7° | 180.0° |
| H12A | C1 | C2 | H2 | 125.3° | 0.0° |
| H13 | C1 | C2 | C3 | 54.8° | 60.0° |
| H13 | C1 | C2 | H2 | 125.2° | 120.0° |
| C2 | C3 | C5 | C4 | 179.9° | 180.0° |
| C2 | C3 | C5 | C6 | 41.6° | 90.0° |
| C2 | C3 | C5 | H51 | 83.6° | 150.0° |
| C2 | C3 | C5 | H52 | 166.9° | 30.0° |
| C2 | C3 | C4 | H41 | 180.0° | 0.0° |
| C2 | C3 | C4 | H42 | 54.7° | 120.0° |
| C2 | C3 | C4 | H43 | 54.7° | 120.0° |
| H2 | C2 | C3 | C5 | 0.1° | 0.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| C3 | C5 | C6 | H51 | 125.2° | 120.0° |
| C3 | C5 | C6 | H52 | 125.3° | 120.1° |
| C3 | C5 | H51 | H52 | 118.6° | 120.1° |
| C3 | C5 | C6 | C7 | 73.0° | 180.0° |
| C3 | C5 | C6 | H61 | 52.3° | 60.0° |
| C3 | C5 | C6 | H62 | 161.8° | 60.0° |
| C5 | C3 | C4 | H41 | 0.1° | 180.0° |
| C5 | C3 | C4 | H42 | 125.2° | 60.0° |
| C5 | C3 | C4 | H43 | 125.4° | 59.9° |
| C4 | C3 | C5 | C6 | 138.5° | 90.0° |
| C4 | C3 | C5 | H51 | 96.3° | 30.0° |
| C4 | C3 | C5 | H52 | 13.2° | 150.0° |
| C3 | C4 | H41 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H43 | 125.3° | 120.0° |
| C3 | C4 | H42 | H43 | 113.4° | 120.0° |
| C6 | C5 | H51 | H52 | 118.6° | 119.9° |
| C5 | C6 | C7 | H61 | 125.2° | 120.1° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 118.9° | 120.0° |
| C5 | C6 | C7 | C8 | 144.7° | 127.6° |
| C5 | C6 | C7 | H7 | 35.4° | 52.5° |
| H51 | C5 | C6 | C7 | 161.8° | 60.0° |
| H51 | C5 | C6 | H61 | 73.0° | 180.0° |
| H51 | C5 | C6 | H62 | 36.5° | 60.0° |
| H52 | C5 | C6 | C7 | 52.3° | 60.0° |
| H52 | C5 | C6 | H61 | 177.5° | 60.1° |
| H52 | C5 | C6 | H62 | 73.0° | 179.9° |
| C7 | C6 | H61 | H62 | 119.0° | 119.9° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.9° | 172.7° |
| C6 | C7 | C8 | C10 | 0.1° | 7.3° |
| H61 | C6 | C7 | C8 | 90.1° | 7.5° |
| H61 | C6 | C7 | H7 | 89.8° | 172.6° |
| H62 | C6 | C7 | C8 | 19.4° | 112.4° |
| H62 | C6 | C7 | H7 | 160.7° | 67.5° |
| C7 | C8 | C9 | C10 | 180.0° | 180.0° |
| C7 | C8 | C9 | C11 | 170.8° | 90.0° |
| C7 | C8 | C9 | H91 | 63.9° | 150.0° |
| C7 | C8 | C9 | H92 | 45.5° | 30.0° |
| C7 | C8 | C10 | H101 | 180.0° | 4.8° |
| C7 | C8 | C10 | H102 | 54.7° | 124.7° |
| C7 | C8 | C10 | H103 | 54.7° | 115.2° |
| H7 | C7 | C8 | C9 | 0.1° | 7.4° |
| H7 | C7 | C8 | C10 | 180.0° | 172.6° |
| C8 | C9 | C11 | H91 | 125.3° | 120.1° |
| C8 | C9 | C11 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 118.2° | 120.0° |
| C8 | C9 | C11 | C12 | 96.3° | 180.0° |
| C8 | C9 | C11 | H111 | 29.0° | 60.0° |
| C8 | C9 | C11 | H112 | 138.5° | 60.1° |
| C9 | C8 | C10 | H101 | 0.0° | 175.2° |
| C9 | C8 | C10 | H102 | 125.2° | 55.3° |
| C9 | C8 | C10 | H103 | 125.3° | 64.8° |
| C10 | C8 | C9 | C11 | 9.2° | 90.0° |
| C10 | C8 | C9 | H91 | 116.2° | 30.0° |
| C10 | C8 | C9 | H92 | 134.4° | 150.0° |
| C8 | C10 | H101 | H102 | 125.2° | 120.0° |
| C8 | C10 | H101 | H103 | 125.3° | 120.0° |
| C8 | C10 | H102 | H103 | 114.7° | 120.1° |
| C11 | C9 | H91 | H92 | 118.2° | 119.9° |
| C9 | C11 | C12 | H111 | 125.2° | 120.0° |
| C9 | C11 | C12 | H112 | 125.2° | 119.9° |
| C9 | C11 | H111 | H112 | 118.9° | 120.0° |
| C9 | C11 | C12 | C13 | 118.8° | 127.6° |
| C9 | C11 | C12 | H12 | 61.2° | 52.4° |
| H91 | C9 | C11 | C12 | 138.4° | 60.0° |
| H91 | C9 | C11 | H111 | 96.4° | 180.0° |
| H91 | C9 | C11 | H112 | 13.2° | 60.0° |
| H92 | C9 | C11 | C12 | 29.0° | 60.0° |
| H92 | C9 | C11 | H111 | 154.2° | 60.0° |
| H92 | C9 | C11 | H112 | 96.2° | 180.0° |
| C12 | C11 | H111 | H112 | 118.9° | 120.1° |
| C11 | C12 | C13 | H12 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 116.2° | 172.7° |
| C11 | C12 | C13 | C15 | 64.1° | 7.4° |
| H111 | C11 | C12 | C13 | 6.5° | 7.6° |
| H111 | C11 | C12 | H12 | 173.6° | 172.4° |
| H112 | C11 | C12 | C13 | 116.0° | 112.5° |
| H112 | C11 | C12 | H12 | 64.0° | 67.5° |
| C12 | C13 | C14 | C15 | 179.8° | 179.9° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C12 | C13 | C14 | H142 | 54.7° | 59.9° |
| C12 | C13 | C14 | H143 | 54.8° | 60.0° |
| C12 | C13 | C15 | H151 | 180.0° | 4.8° |
| C12 | C13 | C15 | H152 | 54.8° | 124.8° |
| C12 | C13 | C15 | H153 | 54.7° | 115.2° |
| H12 | C12 | C13 | C14 | 63.9° | 7.3° |
| H12 | C12 | C13 | C15 | 115.9° | 172.6° |
| C13 | C14 | H141 | H142 | 125.3° | 120.1° |
| C13 | C14 | H141 | H143 | 125.2° | 120.0° |
| C13 | C14 | H142 | H143 | 113.6° | 119.9° |
| C14 | C13 | C15 | H151 | 0.2° | 175.2° |
| C14 | C13 | C15 | H152 | 125.0° | 55.2° |
| C14 | C13 | C15 | H153 | 125.5° | 64.9° |
| C15 | C13 | C14 | H141 | 0.2° | 0.0° |
| C15 | C13 | C14 | H142 | 125.5° | 120.0° |
| C15 | C13 | C14 | H143 | 125.0° | 120.1° |
| C13 | C15 | H151 | H152 | 125.2° | 120.0° |
| C13 | C15 | H151 | H153 | 125.4° | 120.0° |
| C13 | C15 | H152 | H153 | 113.5° | 120.1° |
| H141 | C14 | H142 | H143 | 113.6° | 120.0° |
| H151 | C15 | H152 | H153 | 113.4° | 120.0° |
| H41 | C4 | H42 | H43 | 113.4° | 120.0° |
| H101 | C10 | H102 | H103 | 114.9° | 119.9° |
