ADM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.59Å | |
| C1 | C8 | sing | 1.53Å | 1.55Å | |
| C1 | C9 | sing | 1.53Å | 1.59Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | C10 | sing | 1.53Å | 1.59Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C5 | C9 | sing | 1.53Å | 1.57Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.58Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.60Å | |
| C7 | C10 | sing | 1.53Å | 1.58Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C8 | 107.0° | 109.5° |
| C2 | C1 | C9 | 107.8° | 109.5° |
| C2 | C1 | H1 | 112.8° | 109.5° |
| C1 | C2 | C3 | 112.3° | 109.5° |
| C1 | C2 | H21 | 111.2° | 109.5° |
| C1 | C2 | H22 | 111.2° | 109.5° |
| C8 | C1 | C9 | 111.3° | 109.5° |
| C8 | C1 | H1 | 109.4° | 109.5° |
| C1 | C8 | C7 | 110.3° | 109.5° |
| C1 | C8 | H81 | 111.9° | 109.4° |
| C1 | C8 | H82 | 111.9° | 109.5° |
| C9 | C1 | H1 | 108.6° | 109.4° |
| C1 | C9 | C5 | 108.6° | 109.4° |
| C1 | C9 | H91 | 112.5° | 109.4° |
| C1 | C9 | H92 | 112.5° | 109.5° |
| C3 | C2 | H21 | 111.2° | 109.4° |
| C3 | C2 | H22 | 111.1° | 109.5° |
| C2 | C3 | C4 | 109.3° | 109.5° |
| C2 | C3 | C10 | 107.2° | 109.5° |
| C2 | C3 | H3 | 111.2° | 109.5° |
| H21 | C2 | H22 | 99.1° | 109.4° |
| C4 | C3 | C10 | 109.8° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C3 | C4 | C5 | 109.1° | 109.5° |
| C3 | C4 | H41 | 112.3° | 109.5° |
| C3 | C4 | H42 | 112.3° | 109.5° |
| C10 | C3 | H3 | 110.6° | 109.4° |
| C3 | C10 | C7 | 109.7° | 109.4° |
| C3 | C10 | H101 | 112.1° | 109.5° |
| C3 | C10 | H102 | 112.1° | 109.5° |
| C5 | C4 | H41 | 112.4° | 109.4° |
| C5 | C4 | H42 | 112.4° | 109.5° |
| C4 | C5 | C6 | 110.4° | 109.4° |
| C4 | C5 | C9 | 111.3° | 109.5° |
| C4 | C5 | H5 | 107.8° | 109.5° |
| H41 | C4 | H42 | 98.1° | 109.5° |
| C6 | C5 | C9 | 110.3° | 109.5° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C5 | C6 | C7 | 108.4° | 109.5° |
| C5 | C6 | H61 | 112.6° | 109.5° |
| C5 | C6 | H62 | 112.6° | 109.5° |
| C9 | C5 | H5 | 108.0° | 109.5° |
| C5 | C9 | H91 | 112.5° | 109.5° |
| C5 | C9 | H92 | 112.5° | 109.5° |
| C7 | C6 | H61 | 112.6° | 109.5° |
| C7 | C6 | H62 | 112.6° | 109.4° |
| C6 | C7 | C8 | 109.9° | 109.5° |
| C6 | C7 | C10 | 109.3° | 109.4° |
| C6 | C7 | H7 | 108.9° | 109.5° |
| H61 | C6 | H62 | 97.9° | 109.4° |
| C8 | C7 | C10 | 108.2° | 109.5° |
| C8 | C7 | H7 | 110.0° | 109.5° |
| C7 | C8 | H81 | 111.9° | 109.5° |
| C7 | C8 | H82 | 111.9° | 109.5° |
| C10 | C7 | H7 | 110.5° | 109.4° |
| C7 | C10 | H101 | 112.1° | 109.5° |
| C7 | C10 | H102 | 112.2° | 109.4° |
| H81 | C8 | H82 | 98.6° | 109.5° |
| H91 | C9 | H92 | 98.0° | 109.5° |
| H101 | C10 | H102 | 98.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C8 | C9 | 117.6° | 120.0° |
| C2 | C1 | C8 | H1 | 122.4° | 120.0° |
| C2 | C1 | C9 | H1 | 122.5° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.1° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 117.1° | 120.0° |
| C1 | C2 | C3 | C4 | 58.3° | 60.0° |
| C1 | C2 | C3 | C10 | 60.8° | 60.0° |
| C1 | C2 | C3 | H3 | 178.2° | 180.0° |
| C2 | C1 | C9 | C5 | 58.2° | 60.0° |
| C2 | C1 | C8 | C7 | 60.5° | 60.0° |
| C2 | C1 | C8 | H81 | 174.3° | 60.0° |
| C2 | C1 | C8 | H82 | 64.7° | 180.0° |
| C2 | C1 | C9 | H91 | 67.0° | 180.0° |
| C2 | C1 | C9 | H92 | 176.5° | 60.0° |
| C8 | C1 | C9 | H1 | 120.5° | 120.0° |
| C8 | C1 | C2 | C3 | 61.5° | 60.0° |
| C8 | C1 | C2 | H21 | 63.8° | 180.0° |
| C8 | C1 | C2 | H22 | 173.3° | 60.0° |
| C8 | C1 | C9 | C5 | 58.8° | 60.0° |
| C1 | C8 | C7 | C6 | 57.3° | 60.0° |
| C1 | C8 | C7 | H81 | 125.3° | 119.9° |
| C1 | C8 | C7 | H82 | 125.2° | 120.1° |
| C1 | C8 | C7 | C10 | 62.0° | 60.0° |
| C1 | C8 | C7 | H7 | 177.2° | 180.0° |
| C1 | C8 | H81 | H82 | 117.8° | 120.0° |
| C8 | C1 | C9 | H91 | 176.0° | 59.9° |
| C8 | C1 | C9 | H92 | 66.4° | 180.0° |
| C9 | C1 | C2 | C3 | 58.3° | 60.0° |
| C9 | C1 | C2 | H21 | 176.4° | 60.0° |
| C9 | C1 | C2 | H22 | 66.9° | 179.9° |
| C1 | C9 | C5 | C4 | 61.9° | 60.0° |
| C1 | C9 | C5 | C6 | 61.0° | 59.9° |
| C1 | C9 | C5 | H91 | 125.2° | 119.9° |
| C1 | C9 | C5 | H92 | 125.3° | 120.0° |
| C1 | C9 | C5 | H5 | 179.9° | 179.9° |
| C9 | C1 | C8 | C7 | 57.1° | 60.0° |
| C9 | C1 | C8 | H81 | 68.2° | 180.0° |
| C9 | C1 | C8 | H82 | 177.7° | 60.0° |
| C1 | C9 | H91 | H92 | 118.5° | 120.0° |
| H1 | C1 | C2 | C3 | 178.2° | 180.0° |
| H1 | C1 | C2 | H21 | 56.5° | 60.0° |
| H1 | C1 | C2 | H22 | 52.9° | 60.0° |
| H1 | C1 | C9 | C5 | 179.3° | 180.0° |
| H1 | C1 | C8 | C7 | 177.1° | 180.0° |
| H1 | C1 | C8 | H81 | 51.8° | 60.0° |
| H1 | C1 | C8 | H82 | 57.7° | 60.0° |
| H1 | C1 | C9 | H91 | 55.5° | 60.0° |
| H1 | C1 | C9 | H92 | 54.1° | 60.0° |
| C3 | C2 | H21 | H22 | 117.0° | 119.9° |
| C2 | C3 | C4 | C10 | 117.4° | 120.0° |
| C2 | C3 | C4 | H3 | 121.5° | 120.0° |
| C2 | C3 | C10 | H3 | 121.4° | 120.0° |
| C2 | C3 | C4 | C5 | 57.9° | 60.0° |
| C2 | C3 | C4 | H41 | 176.8° | 60.0° |
| C2 | C3 | C4 | H42 | 67.5° | 180.0° |
| C2 | C3 | C10 | C7 | 59.9° | 60.0° |
| C2 | C3 | C10 | H101 | 65.4° | 60.0° |
| C2 | C3 | C10 | H102 | 174.8° | 179.9° |
| H21 | C2 | C3 | C4 | 176.4° | 60.0° |
| H21 | C2 | C3 | C10 | 64.6° | 179.9° |
| H21 | C2 | C3 | H3 | 56.5° | 60.0° |
| H22 | C2 | C3 | C4 | 67.0° | 179.9° |
| H22 | C2 | C3 | C10 | 173.9° | 60.0° |
| H22 | C2 | C3 | H3 | 52.9° | 59.9° |
| C4 | C3 | C10 | H3 | 119.9° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 118.2° | 120.0° |
| C3 | C4 | C5 | C6 | 61.5° | 60.0° |
| C3 | C4 | C5 | C9 | 61.2° | 60.0° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C4 | C3 | C10 | C7 | 58.8° | 60.0° |
| C4 | C3 | C10 | H101 | 175.9° | 180.0° |
| C4 | C3 | C10 | H102 | 66.5° | 59.9° |
| C10 | C3 | C4 | C5 | 59.6° | 60.0° |
| C10 | C3 | C4 | H41 | 65.7° | 180.0° |
| C10 | C3 | C4 | H42 | 175.1° | 60.0° |
| C3 | C10 | C7 | C6 | 58.9° | 60.0° |
| C3 | C10 | C7 | C8 | 60.7° | 60.0° |
| C3 | C10 | C7 | H101 | 125.3° | 120.0° |
| C3 | C10 | C7 | H102 | 125.3° | 120.0° |
| C3 | C10 | C7 | H7 | 178.8° | 180.0° |
| C3 | C10 | H101 | H102 | 118.0° | 120.0° |
| H3 | C3 | C4 | C5 | 179.3° | 180.0° |
| H3 | C3 | C4 | H41 | 55.4° | 60.0° |
| H3 | C3 | C4 | H42 | 54.0° | 60.0° |
| H3 | C3 | C10 | C7 | 178.7° | 180.0° |
| H3 | C3 | C10 | H101 | 56.1° | 60.0° |
| H3 | C3 | C10 | H102 | 53.4° | 60.1° |
| C5 | C4 | H41 | H42 | 118.3° | 120.0° |
| C4 | C5 | C6 | C9 | 123.4° | 120.0° |
| C4 | C5 | C6 | H5 | 118.2° | 120.0° |
| C4 | C5 | C9 | H5 | 118.2° | 120.0° |
| C4 | C5 | C6 | C7 | 61.5° | 60.1° |
| C4 | C5 | C6 | H61 | 63.7° | 60.1° |
| C4 | C5 | C6 | H62 | 173.2° | 180.0° |
| C4 | C5 | C9 | H91 | 63.4° | 179.9° |
| C4 | C5 | C9 | H92 | 172.8° | 60.0° |
| H41 | C4 | C5 | C6 | 63.7° | 180.0° |
| H41 | C4 | C5 | C9 | 173.5° | 60.0° |
| H41 | C4 | C5 | H5 | 55.2° | 60.0° |
| H42 | C4 | C5 | C6 | 173.2° | 60.0° |
| H42 | C4 | C5 | C9 | 64.0° | 180.0° |
| H42 | C4 | C5 | H5 | 54.3° | 60.0° |
| C6 | C5 | C9 | H5 | 119.0° | 120.0° |
| C5 | C6 | C7 | H61 | 125.2° | 120.1° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 118.5° | 120.0° |
| C5 | C6 | C7 | C8 | 58.8° | 59.9° |
| C5 | C6 | C7 | C10 | 59.7° | 60.1° |
| C5 | C6 | C7 | H7 | 179.4° | 180.0° |
| C6 | C5 | C9 | H91 | 173.8° | 60.0° |
| C6 | C5 | C9 | H92 | 64.3° | 179.9° |
| C9 | C5 | C6 | C7 | 61.9° | 59.9° |
| C9 | C5 | C6 | H61 | 172.9° | 179.9° |
| C9 | C5 | C6 | H62 | 63.4° | 60.0° |
| C5 | C9 | H91 | H92 | 118.4° | 120.1° |
| H5 | C5 | C6 | C7 | 179.8° | 179.9° |
| H5 | C5 | C6 | H61 | 54.5° | 59.9° |
| H5 | C5 | C6 | H62 | 55.0° | 60.0° |
| H5 | C5 | C9 | H91 | 54.8° | 60.0° |
| H5 | C5 | C9 | H92 | 54.7° | 60.1° |
| C7 | C6 | H61 | H62 | 118.6° | 119.9° |
| C6 | C7 | C8 | C10 | 119.3° | 120.0° |
| C6 | C7 | C8 | H7 | 119.9° | 120.1° |
| C6 | C7 | C10 | H7 | 119.8° | 120.0° |
| C6 | C7 | C8 | H81 | 68.0° | 179.9° |
| C6 | C7 | C8 | H82 | 177.5° | 60.1° |
| C6 | C7 | C10 | H101 | 175.8° | 180.0° |
| C6 | C7 | C10 | H102 | 66.3° | 60.0° |
| H61 | C6 | C7 | C8 | 175.9° | 180.0° |
| H61 | C6 | C7 | C10 | 65.5° | 60.0° |
| H61 | C6 | C7 | H7 | 55.3° | 59.9° |
| H62 | C6 | C7 | C8 | 66.4° | 60.0° |
| H62 | C6 | C7 | C10 | 175.0° | 180.0° |
| H62 | C6 | C7 | H7 | 54.2° | 60.0° |
| C8 | C7 | C10 | H7 | 120.5° | 120.0° |
| C7 | C8 | H81 | H82 | 117.8° | 120.0° |
| C8 | C7 | C10 | H101 | 64.6° | 60.0° |
| C8 | C7 | C10 | H102 | 174.1° | 180.0° |
| C10 | C7 | C8 | H81 | 172.7° | 59.9° |
| C10 | C7 | C8 | H82 | 63.2° | 179.9° |
| C7 | C10 | H101 | H102 | 118.1° | 120.0° |
| H7 | C7 | C8 | H81 | 51.9° | 60.0° |
| H7 | C7 | C8 | H82 | 57.6° | 60.0° |
| H7 | C7 | C10 | H101 | 55.9° | 60.0° |
| H7 | C7 | C10 | H102 | 53.5° | 60.0° |
