ION
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.54Å | |
| C1 | C12 | sing | 1.53Å | 1.50Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C8 | sing | 1.50Å | 1.53Å | |
| C2 | C9 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.52Å | 1.49Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C10 | doub | 1.30Å | 1.49Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.50Å | 1.50Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.51Å | 1.48Å | |
| C13 | C15 | doub | 1.31Å | 1.49Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C15 | H152 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C12 | 115.4° | 110.7° |
| C2 | C1 | H11 | 110.0° | 109.2° |
| C2 | C1 | H12 | 110.0° | 109.3° |
| C1 | C2 | C3 | 110.7° | 110.1° |
| C1 | C2 | C8 | 112.4° | 113.0° |
| C1 | C2 | C9 | 107.5° | 108.3° |
| C12 | C1 | H11 | 110.0° | 109.2° |
| C12 | C1 | H12 | 110.0° | 109.2° |
| C1 | C12 | C11 | 112.0° | 108.4° |
| C1 | C12 | C13 | 110.1° | 109.8° |
| C1 | C12 | H121 | 107.3° | 109.7° |
| H11 | C1 | H12 | 100.2° | 109.1° |
| C3 | C2 | C8 | 106.7° | 109.4° |
| C3 | C2 | C9 | 111.5° | 108.2° |
| C2 | C3 | C4 | 111.9° | 109.5° |
| C2 | C3 | C5 | 110.5° | 109.4° |
| C2 | C3 | H3 | 107.2° | 109.5° |
| C8 | C2 | C9 | 108.0° | 107.8° |
| C2 | C8 | C7 | 117.6° | 117.8° |
| C2 | C8 | C10 | 122.1° | 124.0° |
| C2 | C9 | H91 | 107.5° | 109.4° |
| C2 | C9 | H92 | 113.0° | 109.5° |
| C2 | C9 | H93 | 113.0° | 109.5° |
| C4 | C3 | C5 | 109.5° | 109.5° |
| C4 | C3 | H3 | 108.1° | 109.5° |
| C3 | C4 | H41 | 111.8° | 109.5° |
| C3 | C4 | H42 | 111.3° | 109.5° |
| C3 | C4 | H43 | 111.3° | 109.5° |
| C5 | C3 | H3 | 109.6° | 109.4° |
| C3 | C5 | C6 | 112.2° | 109.7° |
| C3 | C5 | H51 | 111.2° | 109.4° |
| C3 | C5 | H52 | 111.2° | 109.4° |
| H41 | C4 | H42 | 111.4° | 109.5° |
| H41 | C4 | H43 | 111.3° | 109.4° |
| H42 | C4 | H43 | 99.1° | 109.5° |
| C6 | C5 | H51 | 111.2° | 109.5° |
| C6 | C5 | H52 | 111.2° | 109.5° |
| C5 | C6 | C7 | 115.2° | 109.5° |
| C5 | C6 | H61 | 110.2° | 109.5° |
| C5 | C6 | H62 | 110.1° | 109.5° |
| H51 | C5 | H52 | 99.1° | 109.3° |
| C7 | C6 | H61 | 110.1° | 109.4° |
| C7 | C6 | H62 | 110.1° | 109.4° |
| C6 | C7 | C8 | 110.0° | 108.4° |
| C6 | C7 | H71 | 112.0° | 109.7° |
| C6 | C7 | H72 | 112.0° | 109.7° |
| H61 | C6 | H62 | 100.1° | 109.5° |
| C8 | C7 | H71 | 112.0° | 109.6° |
| C8 | C7 | H72 | 112.0° | 109.7° |
| C7 | C8 | C10 | 120.3° | 118.3° |
| H71 | C7 | H72 | 98.4° | 109.7° |
| C8 | C10 | C11 | 120.0° | 123.1° |
| C8 | C10 | H10 | 119.8° | 118.5° |
| H91 | C9 | H92 | 112.9° | 109.5° |
| H91 | C9 | H93 | 112.9° | 109.4° |
| H92 | C9 | H93 | 97.6° | 109.5° |
| C11 | C10 | H10 | 120.1° | 118.4° |
| C10 | C11 | C12 | 110.9° | 109.0° |
| C10 | C11 | H111 | 111.7° | 109.5° |
| C10 | C11 | H112 | 111.7° | 109.5° |
| C12 | C11 | H111 | 111.7° | 109.6° |
| C12 | C11 | H112 | 111.7° | 109.6° |
| C11 | C12 | C13 | 109.5° | 109.7° |
| C11 | C12 | H121 | 107.9° | 109.6° |
| H111 | C11 | H112 | 98.7° | 109.6° |
| C13 | C12 | H121 | 109.9° | 109.7° |
| C12 | C13 | C14 | 119.3° | 120.0° |
| C12 | C13 | C15 | 121.1° | 120.0° |
| C14 | C13 | C15 | 119.6° | 120.0° |
| C13 | C14 | H141 | 119.3° | 109.4° |
| C13 | C14 | H142 | 108.7° | 109.4° |
| C13 | C14 | H143 | 108.7° | 109.5° |
| C13 | C15 | H151 | 119.6° | 120.0° |
| C13 | C15 | H152 | 121.1° | 120.0° |
| H141 | C14 | H142 | 108.7° | 109.5° |
| H141 | C14 | H143 | 108.7° | 109.5° |
| H142 | C14 | H143 | 101.3° | 109.5° |
| H151 | C15 | H152 | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C12 | H11 | 125.2° | 120.3° |
| C2 | C1 | C12 | H12 | 125.2° | 120.4° |
| C2 | C1 | H11 | H12 | 115.9° | 119.4° |
| C1 | C2 | C3 | C8 | 122.6° | 124.7° |
| C1 | C2 | C3 | C9 | 119.7° | 118.1° |
| C1 | C2 | C8 | C9 | 118.5° | 119.6° |
| C1 | C2 | C3 | C4 | 57.7° | 60.9° |
| C1 | C2 | C3 | C5 | 180.0° | 179.0° |
| C1 | C2 | C3 | H3 | 60.7° | 59.1° |
| C1 | C2 | C8 | C7 | 179.3° | 174.3° |
| C1 | C2 | C8 | C10 | 0.4° | 5.9° |
| C1 | C2 | C9 | H91 | 180.0° | 60.0° |
| C1 | C2 | C9 | H92 | 54.8° | 180.0° |
| C1 | C2 | C9 | H93 | 54.8° | 60.0° |
| C2 | C1 | C12 | C11 | 58.7° | 63.0° |
| C2 | C1 | C12 | C13 | 179.2° | 177.2° |
| C2 | C1 | C12 | H121 | 59.5° | 56.7° |
| C12 | C1 | H11 | H12 | 115.9° | 119.3° |
| C12 | C1 | C2 | C3 | 148.2° | 159.7° |
| C12 | C1 | C2 | C8 | 29.0° | 37.1° |
| C12 | C1 | C2 | C9 | 89.7° | 82.2° |
| C1 | C12 | C11 | C10 | 55.7° | 55.8° |
| C1 | C12 | C11 | C13 | 122.5° | 119.8° |
| C1 | C12 | C11 | H121 | 117.9° | 119.7° |
| C1 | C12 | C11 | H111 | 69.6° | 64.1° |
| C1 | C12 | C11 | H112 | 179.0° | 175.6° |
| C1 | C12 | C13 | H121 | 118.0° | 120.6° |
| C1 | C12 | C13 | C14 | 116.8° | 58.9° |
| C1 | C12 | C13 | C15 | 62.8° | 121.1° |
| H11 | C1 | C2 | C3 | 86.6° | 39.4° |
| H11 | C1 | C2 | C8 | 154.2° | 83.2° |
| H11 | C1 | C2 | C9 | 35.5° | 157.5° |
| H11 | C1 | C12 | C11 | 176.1° | 57.3° |
| H11 | C1 | C12 | C13 | 53.9° | 62.5° |
| H11 | C1 | C12 | H121 | 65.7° | 177.0° |
| H12 | C1 | C2 | C3 | 23.0° | 79.9° |
| H12 | C1 | C2 | C8 | 96.2° | 157.5° |
| H12 | C1 | C2 | C9 | 145.0° | 38.2° |
| H12 | C1 | C12 | C11 | 66.5° | 176.6° |
| H12 | C1 | C12 | C13 | 55.6° | 56.8° |
| H12 | C1 | C12 | H121 | 175.2° | 63.7° |
| C3 | C2 | C8 | C9 | 120.0° | 117.4° |
| C2 | C3 | C4 | C5 | 122.8° | 120.0° |
| C2 | C3 | C4 | H3 | 117.8° | 120.0° |
| C2 | C3 | C5 | H3 | 117.9° | 120.0° |
| C2 | C3 | C4 | H41 | 180.0° | 179.9° |
| C2 | C3 | C4 | H42 | 54.7° | 60.0° |
| C2 | C3 | C4 | H43 | 54.8° | 60.0° |
| C2 | C3 | C5 | C6 | 56.0° | 62.7° |
| C2 | C3 | C5 | H51 | 178.7° | 177.1° |
| C2 | C3 | C5 | H52 | 69.3° | 57.3° |
| C3 | C2 | C8 | C7 | 57.7° | 51.3° |
| C3 | C2 | C8 | C10 | 122.0° | 128.9° |
| C3 | C2 | C9 | H91 | 58.5° | 179.2° |
| C3 | C2 | C9 | H92 | 66.8° | 60.7° |
| C3 | C2 | C9 | H93 | 176.3° | 59.3° |
| C8 | C2 | C3 | C4 | 179.7° | 174.3° |
| C8 | C2 | C3 | C5 | 57.4° | 54.3° |
| C8 | C2 | C3 | H3 | 61.9° | 65.6° |
| C2 | C8 | C7 | C6 | 51.0° | 51.6° |
| C2 | C8 | C7 | C10 | 179.7° | 179.8° |
| C2 | C8 | C7 | H71 | 176.3° | 171.3° |
| C2 | C8 | C7 | H72 | 74.2° | 68.1° |
| C8 | C2 | C9 | H91 | 58.4° | 62.6° |
| C8 | C2 | C9 | H92 | 176.3° | 57.5° |
| C8 | C2 | C9 | H93 | 66.7° | 177.5° |
| C2 | C8 | C10 | C11 | 0.2° | 0.5° |
| C2 | C8 | C10 | H10 | 179.8° | 179.6° |
| C9 | C2 | C3 | C4 | 61.9° | 57.2° |
| C9 | C2 | C3 | C5 | 60.4° | 62.8° |
| C9 | C2 | C3 | H3 | 179.7° | 177.2° |
| C9 | C2 | C8 | C7 | 62.3° | 66.1° |
| C9 | C2 | C8 | C10 | 118.0° | 113.7° |
| C2 | C9 | H91 | H92 | 125.3° | 120.0° |
| C2 | C9 | H91 | H93 | 125.2° | 119.9° |
| C2 | C9 | H92 | H93 | 118.9° | 120.0° |
| C4 | C3 | C5 | H3 | 118.5° | 120.0° |
| C3 | C4 | H41 | H42 | 125.3° | 120.1° |
| C3 | C4 | H41 | H43 | 125.2° | 119.9° |
| C3 | C4 | H42 | H43 | 117.2° | 120.0° |
| C4 | C3 | C5 | C6 | 179.7° | 177.2° |
| C4 | C3 | C5 | H51 | 55.1° | 57.1° |
| C4 | C3 | C5 | H52 | 54.4° | 62.7° |
| C5 | C3 | C4 | H41 | 57.1° | 59.9° |
| C5 | C3 | C4 | H42 | 177.5° | 180.0° |
| C5 | C3 | C4 | H43 | 68.1° | 60.0° |
| C3 | C5 | C6 | H51 | 125.3° | 120.1° |
| C3 | C5 | C6 | H52 | 125.3° | 120.0° |
| C3 | C5 | H51 | H52 | 117.1° | 119.8° |
| C3 | C5 | C6 | C7 | 49.7° | 63.6° |
| C3 | C5 | C6 | H61 | 75.6° | 56.3° |
| C3 | C5 | C6 | H62 | 174.9° | 176.4° |
| H3 | C3 | C4 | H41 | 62.2° | 60.0° |
| H3 | C3 | C4 | H42 | 63.1° | 60.1° |
| H3 | C3 | C4 | H43 | 172.6° | 179.9° |
| H3 | C3 | C5 | C6 | 61.9° | 57.2° |
| H3 | C3 | C5 | H51 | 63.4° | 62.9° |
| H3 | C3 | C5 | H52 | 172.9° | 177.3° |
| H41 | C4 | H42 | H43 | 117.2° | 119.9° |
| C6 | C5 | H51 | H52 | 117.0° | 119.9° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 115.9° | 120.1° |
| C5 | C6 | C7 | C8 | 45.0° | 55.2° |
| C5 | C6 | C7 | H71 | 170.3° | 174.9° |
| C5 | C6 | C7 | H72 | 80.3° | 64.5° |
| H51 | C5 | C6 | C7 | 175.0° | 176.2° |
| H51 | C5 | C6 | H61 | 49.7° | 63.8° |
| H51 | C5 | C6 | H62 | 59.8° | 56.2° |
| H52 | C5 | C6 | C7 | 75.6° | 56.4° |
| H52 | C5 | C6 | H61 | 159.1° | 176.4° |
| H52 | C5 | C6 | H62 | 49.6° | 63.6° |
| C7 | C6 | H61 | H62 | 115.9° | 119.9° |
| C6 | C7 | C8 | H71 | 125.3° | 119.7° |
| C6 | C7 | C8 | H72 | 125.3° | 119.7° |
| C6 | C7 | H71 | H72 | 117.9° | 120.5° |
| C6 | C7 | C8 | C10 | 128.7° | 128.6° |
| H61 | C6 | C7 | C8 | 80.3° | 64.8° |
| H61 | C6 | C7 | H71 | 44.9° | 54.9° |
| H61 | C6 | C7 | H72 | 154.4° | 175.5° |
| H62 | C6 | C7 | C8 | 170.2° | 175.3° |
| H62 | C6 | C7 | H71 | 64.5° | 65.0° |
| H62 | C6 | C7 | H72 | 45.0° | 55.5° |
| C8 | C7 | H71 | H72 | 117.9° | 120.5° |
| C7 | C8 | C10 | C11 | 179.5° | 179.7° |
| C7 | C8 | C10 | H10 | 0.4° | 0.2° |
| H71 | C7 | C8 | C10 | 3.4° | 8.9° |
| H72 | C7 | C8 | C10 | 106.0° | 111.7° |
| C8 | C10 | C11 | H10 | 180.0° | 179.9° |
| C8 | C10 | C11 | C12 | 27.5° | 26.1° |
| C8 | C10 | C11 | H111 | 97.8° | 93.7° |
| C8 | C10 | C11 | H112 | 152.7° | 146.0° |
| H91 | C9 | H92 | H93 | 118.8° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 119.8° |
| C10 | C11 | C12 | H112 | 125.2° | 119.9° |
| C10 | C11 | H111 | H112 | 117.5° | 120.2° |
| C10 | C11 | C12 | C13 | 178.2° | 175.6° |
| C10 | C11 | C12 | H121 | 62.1° | 64.0° |
| H10 | C10 | C11 | C12 | 152.5° | 154.0° |
| H10 | C10 | C11 | H111 | 82.1° | 86.1° |
| H10 | C10 | C11 | H112 | 27.3° | 34.1° |
| C12 | C11 | H111 | H112 | 117.6° | 120.3° |
| C11 | C12 | C13 | H121 | 118.4° | 120.4° |
| C11 | C12 | C13 | C14 | 119.6° | 60.0° |
| C11 | C12 | C13 | C15 | 60.8° | 120.0° |
| H111 | C11 | C12 | C13 | 52.9° | 55.8° |
| H111 | C11 | C12 | H121 | 172.6° | 176.2° |
| H112 | C11 | C12 | C13 | 56.5° | 64.6° |
| H112 | C11 | C12 | H121 | 63.1° | 55.9° |
| C12 | C13 | C14 | C15 | 179.6° | 180.0° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C12 | C13 | C14 | H142 | 54.7° | 60.0° |
| C12 | C13 | C14 | H143 | 54.7° | 60.0° |
| C12 | C13 | C15 | H151 | 0.4° | 179.9° |
| C12 | C13 | C15 | H152 | 180.0° | 0.0° |
| H121 | C12 | C13 | C14 | 1.2° | 179.5° |
| H121 | C12 | C13 | C15 | 179.1° | 0.5° |
| C13 | C14 | H141 | H142 | 125.3° | 119.9° |
| C13 | C14 | H141 | H143 | 125.3° | 120.0° |
| C13 | C14 | H142 | H143 | 114.3° | 120.0° |
| C14 | C13 | C15 | H151 | 180.0° | 0.0° |
| C14 | C13 | C15 | H152 | 0.4° | 180.0° |
| C15 | C13 | C14 | H141 | 0.4° | 0.0° |
| C15 | C13 | C14 | H142 | 125.7° | 120.0° |
| C15 | C13 | C14 | H143 | 124.9° | 120.0° |
| C13 | C15 | H151 | H152 | 179.6° | 180.0° |
| H141 | C14 | H142 | H143 | 114.4° | 120.1° |
