UND
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 113.6° | 109.5° |
| C2 | C1 | H12 | 110.7° | 109.5° |
| C2 | C1 | H13 | 110.7° | 109.5° |
| C1 | C2 | C3 | 113.7° | 109.5° |
| C1 | C2 | H21 | 110.7° | 109.5° |
| C1 | C2 | H22 | 110.7° | 109.5° |
| H11 | C1 | H12 | 110.7° | 109.5° |
| H11 | C1 | H13 | 110.7° | 109.5° |
| H12 | C1 | H13 | 99.6° | 109.5° |
| C3 | C2 | H21 | 110.6° | 109.5° |
| C3 | C2 | H22 | 110.6° | 109.5° |
| C2 | C3 | C4 | 115.9° | 109.5° |
| C2 | C3 | H31 | 109.9° | 109.5° |
| C2 | C3 | H32 | 109.9° | 109.5° |
| H21 | C2 | H22 | 99.6° | 109.5° |
| C4 | C3 | H31 | 109.8° | 109.5° |
| C4 | C3 | H32 | 109.9° | 109.5° |
| C3 | C4 | C5 | 114.3° | 109.5° |
| C3 | C4 | H41 | 110.5° | 109.5° |
| C3 | C4 | H42 | 110.4° | 109.5° |
| H31 | C3 | H32 | 100.3° | 109.5° |
| C5 | C4 | H41 | 110.4° | 109.5° |
| C5 | C4 | H42 | 110.4° | 109.5° |
| C4 | C5 | C6 | 115.3° | 109.5° |
| C4 | C5 | H51 | 110.1° | 109.5° |
| C4 | C5 | H52 | 110.1° | 109.5° |
| H41 | C4 | H42 | 99.8° | 109.5° |
| C6 | C5 | H51 | 110.1° | 109.5° |
| C6 | C5 | H52 | 110.0° | 109.5° |
| C5 | C6 | C7 | 115.1° | 109.5° |
| C5 | C6 | H61 | 110.2° | 109.5° |
| C5 | C6 | H62 | 110.1° | 109.5° |
| H51 | C5 | H52 | 100.2° | 109.5° |
| C7 | C6 | H61 | 110.1° | 109.5° |
| C7 | C6 | H62 | 110.2° | 109.5° |
| C6 | C7 | C8 | 115.3° | 109.5° |
| C6 | C7 | H71 | 110.1° | 109.5° |
| C6 | C7 | H72 | 110.1° | 109.5° |
| H61 | C6 | H62 | 100.0° | 109.5° |
| C8 | C7 | H71 | 110.1° | 109.5° |
| C8 | C7 | H72 | 110.1° | 109.5° |
| C7 | C8 | C9 | 114.8° | 109.5° |
| C7 | C8 | H81 | 110.3° | 109.5° |
| C7 | C8 | H82 | 110.3° | 109.5° |
| H71 | C7 | H72 | 100.2° | 109.5° |
| C9 | C8 | H81 | 110.3° | 109.5° |
| C9 | C8 | H82 | 110.3° | 109.5° |
| C8 | C9 | C10 | 116.0° | 109.5° |
| C8 | C9 | H91 | 109.8° | 109.5° |
| C8 | C9 | H92 | 109.8° | 109.5° |
| H81 | C8 | H82 | 100.0° | 109.5° |
| C10 | C9 | H91 | 109.9° | 109.5° |
| C10 | C9 | H92 | 109.8° | 109.5° |
| C9 | C10 | C11 | 114.0° | 109.5° |
| C9 | C10 | H101 | 110.5° | 109.5° |
| C9 | C10 | H102 | 110.6° | 109.5° |
| H91 | C9 | H92 | 100.4° | 109.5° |
| C11 | C10 | H101 | 110.5° | 109.5° |
| C11 | C10 | H102 | 110.5° | 109.5° |
| C10 | C11 | H111 | 114.0° | 109.5° |
| C10 | C11 | H112 | 110.6° | 109.5° |
| C10 | C11 | H113 | 110.6° | 109.5° |
| H101 | C10 | H102 | 99.8° | 109.5° |
| H111 | C11 | H112 | 110.6° | 109.5° |
| H111 | C11 | H113 | 110.5° | 109.5° |
| H112 | C11 | H113 | 99.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.2° | 120.0° |
| C2 | C1 | H11 | H13 | 125.3° | 120.0° |
| C2 | C1 | H12 | H13 | 116.5° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 116.6° | 120.0° |
| C1 | C2 | C3 | C4 | 149.9° | 180.0° |
| C1 | C2 | C3 | H31 | 24.7° | 60.0° |
| C1 | C2 | C3 | H32 | 84.8° | 60.0° |
| H11 | C1 | H12 | H13 | 116.6° | 120.0° |
| H11 | C1 | C2 | C3 | 180.0° | 60.0° |
| H11 | C1 | C2 | H21 | 54.8° | NaN° |
| H11 | C1 | C2 | H22 | 54.7° | 60.0° |
| H12 | C1 | C2 | C3 | 54.7° | 180.0° |
| H12 | C1 | C2 | H21 | 70.5° | 60.0° |
| H12 | C1 | C2 | H22 | 180.0° | 60.0° |
| H13 | C1 | C2 | C3 | 54.7° | 60.0° |
| H13 | C1 | C2 | H21 | 179.9° | 60.0° |
| H13 | C1 | C2 | H22 | 70.6° | NaN° |
| C3 | C2 | H21 | H22 | 116.5° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 115.7° | 120.0° |
| C2 | C3 | C4 | C5 | 99.7° | 180.0° |
| C2 | C3 | C4 | H41 | 135.0° | 60.0° |
| C2 | C3 | C4 | H42 | 25.6° | 60.0° |
| H21 | C2 | C3 | C4 | 84.8° | 60.0° |
| H21 | C2 | C3 | H31 | 149.9° | 180.0° |
| H21 | C2 | C3 | H32 | 40.5° | 60.0° |
| H22 | C2 | C3 | C4 | 24.6° | 60.0° |
| H22 | C2 | C3 | H31 | 100.7° | 60.0° |
| H22 | C2 | C3 | H32 | 149.9° | 180.0° |
| C4 | C3 | H31 | H32 | 115.6° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 116.3° | 120.0° |
| C3 | C4 | C5 | C6 | 179.7° | 180.0° |
| C3 | C4 | C5 | H51 | 54.5° | 60.0° |
| C3 | C4 | C5 | H52 | 55.0° | 60.0° |
| H31 | C3 | C4 | C5 | 25.6° | 60.0° |
| H31 | C3 | C4 | H41 | 99.6° | 180.0° |
| H31 | C3 | C4 | H42 | 150.9° | 60.0° |
| H32 | C3 | C4 | C5 | 135.0° | 60.0° |
| H32 | C3 | C4 | H41 | 9.7° | 60.0° |
| H32 | C3 | C4 | H42 | 99.7° | 180.0° |
| C5 | C4 | H41 | H42 | 116.3° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H52 | 115.9° | 120.0° |
| C4 | C5 | C6 | C7 | 149.5° | 180.0° |
| C4 | C5 | C6 | H61 | 85.2° | 60.0° |
| C4 | C5 | C6 | H62 | 24.2° | 60.0° |
| H41 | C4 | C5 | C6 | 55.0° | 60.0° |
| H41 | C4 | C5 | H51 | 179.8° | 180.0° |
| H41 | C4 | C5 | H52 | 70.2° | 60.0° |
| H42 | C4 | C5 | C6 | 54.5° | 60.0° |
| H42 | C4 | C5 | H51 | 70.8° | 60.0° |
| H42 | C4 | C5 | H52 | 179.7° | 180.0° |
| C6 | C5 | H51 | H52 | 115.9° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 116.0° | 120.0° |
| C5 | C6 | C7 | C8 | 180.0° | 180.0° |
| C5 | C6 | C7 | H71 | 54.8° | 60.0° |
| C5 | C6 | C7 | H72 | 54.7° | 60.0° |
| H51 | C5 | C6 | C7 | 24.2° | 60.0° |
| H51 | C5 | C6 | H61 | 149.5° | 180.0° |
| H51 | C5 | C6 | H62 | 101.1° | 60.0° |
| H52 | C5 | C6 | C7 | 85.3° | 60.0° |
| H52 | C5 | C6 | H61 | 40.0° | 60.0° |
| H52 | C5 | C6 | H62 | 149.4° | 180.0° |
| C7 | C6 | H61 | H62 | 116.0° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 115.9° | 120.0° |
| C6 | C7 | C8 | C9 | 86.8° | 180.0° |
| C6 | C7 | C8 | H81 | 38.4° | 60.0° |
| C6 | C7 | C8 | H82 | 147.9° | 60.0° |
| H61 | C6 | C7 | C8 | 54.7° | 60.0° |
| H61 | C6 | C7 | H71 | 179.9° | 180.0° |
| H61 | C6 | C7 | H72 | 70.6° | 60.0° |
| H62 | C6 | C7 | C8 | 54.7° | 60.0° |
| H62 | C6 | C7 | H71 | 70.5° | 60.0° |
| H62 | C6 | C7 | H72 | 180.0° | 180.0° |
| C8 | C7 | H71 | H72 | 115.9° | 120.0° |
| C7 | C8 | C9 | H81 | 125.2° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 116.1° | 120.0° |
| C7 | C8 | C9 | C10 | 179.8° | 180.0° |
| C7 | C8 | C9 | H91 | 54.9° | 60.0° |
| C7 | C8 | C9 | H92 | 54.5° | 60.0° |
| H71 | C7 | C8 | C9 | 147.9° | 60.0° |
| H71 | C7 | C8 | H81 | 86.8° | 180.0° |
| H71 | C7 | C8 | H82 | 22.7° | 60.0° |
| H72 | C7 | C8 | C9 | 38.4° | 60.0° |
| H72 | C7 | C8 | H81 | 163.6° | 60.0° |
| H72 | C7 | C8 | H82 | 86.9° | 180.0° |
| C9 | C8 | H81 | H82 | 116.1° | 120.0° |
| C8 | C9 | C10 | H91 | 125.3° | 120.0° |
| C8 | C9 | C10 | H92 | 125.2° | 120.0° |
| C8 | C9 | H91 | H92 | 115.6° | 120.0° |
| C8 | C9 | C10 | C11 | 126.6° | 180.0° |
| C8 | C9 | C10 | H101 | 1.4° | 60.0° |
| C8 | C9 | C10 | H102 | 108.1° | 60.0° |
| H81 | C8 | C9 | C10 | 54.5° | 60.0° |
| H81 | C8 | C9 | H91 | 179.8° | 180.0° |
| H81 | C8 | C9 | H92 | 70.7° | 60.0° |
| H82 | C8 | C9 | C10 | 55.0° | 60.0° |
| H82 | C8 | C9 | H91 | 70.3° | 60.0° |
| H82 | C8 | C9 | H92 | 179.8° | 180.0° |
| C10 | C9 | H91 | H92 | 115.7° | 120.0° |
| C9 | C10 | C11 | H101 | 125.2° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 116.4° | 120.0° |
| C9 | C10 | C11 | H111 | 180.0° | 180.0° |
| C9 | C10 | C11 | H112 | 54.7° | 60.0° |
| C9 | C10 | C11 | H113 | 54.7° | 60.0° |
| H91 | C9 | C10 | C11 | 108.1° | 60.0° |
| H91 | C9 | C10 | H101 | 126.7° | 180.0° |
| H91 | C9 | C10 | H102 | 17.2° | 60.0° |
| H92 | C9 | C10 | C11 | 1.4° | 60.0° |
| H92 | C9 | C10 | H101 | 123.8° | 60.0° |
| H92 | C9 | C10 | H102 | 126.6° | 180.0° |
| C11 | C10 | H101 | H102 | 116.4° | 120.0° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H113 | 125.3° | 120.0° |
| C10 | C11 | H112 | H113 | 116.4° | 120.0° |
| H101 | C10 | C11 | H111 | 54.7° | 60.0° |
| H101 | C10 | C11 | H112 | 179.9° | NaN° |
| H101 | C10 | C11 | H113 | 70.5° | 60.0° |
| H102 | C10 | C11 | H111 | 54.8° | 60.0° |
| H102 | C10 | C11 | H112 | 70.6° | 60.0° |
| H102 | C10 | C11 | H113 | 180.0° | NaN° |
| H111 | C11 | H112 | H113 | 116.3° | 120.0° |
