ZAZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | O1 | sing | 1.43Å | 1.44Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| H1O | O1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 110.8° | 109.5° |
| C2 | C1 | H11 | 109.2° | 109.5° |
| C2 | C1 | H12 | 109.1° | 109.5° |
| C1 | C2 | C3 | 110.8° | 109.5° |
| C1 | C2 | H21 | 109.1° | 109.5° |
| C1 | C2 | H22 | 109.2° | 109.5° |
| C6 | C1 | H11 | 109.1° | 109.4° |
| C6 | C1 | H12 | 109.1° | 109.5° |
| C1 | C6 | C5 | 109.9° | 109.5° |
| C1 | C6 | C7 | 110.6° | 109.5° |
| C1 | C6 | H61 | 108.6° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| C3 | C2 | H21 | 109.1° | 109.4° |
| C3 | C2 | H22 | 109.1° | 109.4° |
| C2 | C3 | C4 | 110.5° | 109.5° |
| C2 | C3 | H31 | 109.2° | 109.5° |
| C2 | C3 | H32 | 109.2° | 109.4° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| C4 | C3 | H31 | 109.2° | 109.5° |
| C4 | C3 | H32 | 109.2° | 109.5° |
| C3 | C4 | C5 | 110.6° | 109.5° |
| C3 | C4 | H41 | 109.2° | 109.4° |
| C3 | C4 | H42 | 109.2° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| C5 | C4 | H41 | 109.2° | 109.5° |
| C5 | C4 | H42 | 109.2° | 109.5° |
| C4 | C5 | C6 | 110.6° | 109.5° |
| C4 | C5 | H51 | 109.2° | 109.4° |
| C4 | C5 | H52 | 109.2° | 109.5° |
| H41 | C4 | H42 | 109.4° | 109.4° |
| C6 | C5 | H51 | 109.2° | 109.5° |
| C6 | C5 | H52 | 109.2° | 109.4° |
| C5 | C6 | C7 | 110.4° | 109.5° |
| C5 | C6 | H61 | 108.6° | 109.4° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| C7 | C6 | H61 | 108.6° | 109.5° |
| C6 | C7 | C8 | 110.0° | 109.4° |
| C6 | C7 | H71 | 109.4° | 109.5° |
| C6 | C7 | H72 | 109.3° | 109.4° |
| C8 | C7 | H71 | 109.4° | 109.5° |
| C8 | C7 | H72 | 109.4° | 109.5° |
| C7 | C8 | C9 | 113.7° | 109.4° |
| C7 | C8 | H81 | 108.4° | 109.5° |
| C7 | C8 | H82 | 108.4° | 109.5° |
| H71 | C7 | H72 | 109.4° | 109.5° |
| C9 | C8 | H81 | 108.4° | 109.5° |
| C9 | C8 | H82 | 108.4° | 109.4° |
| C8 | C9 | C10 | 113.4° | 109.5° |
| C8 | C9 | H91 | 108.5° | 109.5° |
| C8 | C9 | H92 | 108.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| C10 | C9 | H91 | 108.5° | 109.5° |
| C10 | C9 | H92 | 108.5° | 109.4° |
| C9 | C10 | C11 | 109.5° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| C11 | C10 | H101 | 109.5° | 109.5° |
| C11 | C10 | H102 | 109.5° | 109.4° |
| C10 | C11 | O1 | 106.3° | 109.5° |
| C10 | C11 | H111 | 110.3° | 109.5° |
| C10 | C11 | H112 | 110.3° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| O1 | C11 | H111 | 110.3° | 109.5° |
| O1 | C11 | H112 | 110.2° | 109.4° |
| C11 | O1 | H1O | 109.5° | 114.0° |
| H111 | C11 | H112 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H11 | 120.2° | 120.0° |
| C2 | C1 | C6 | H12 | 120.2° | 120.1° |
| C2 | C1 | H11 | H12 | 119.4° | 120.1° |
| C1 | C2 | C3 | H21 | 120.2° | 120.0° |
| C1 | C2 | C3 | H22 | 120.2° | 120.0° |
| C1 | C2 | H21 | H22 | 119.4° | 120.0° |
| C1 | C2 | C3 | C4 | 56.4° | 60.0° |
| C1 | C2 | C3 | H31 | 176.6° | 180.0° |
| C1 | C2 | C3 | H32 | 63.8° | 60.0° |
| C2 | C1 | C6 | C5 | 57.6° | 60.0° |
| C2 | C1 | C6 | C7 | 179.8° | 180.0° |
| C2 | C1 | C6 | H61 | 61.1° | 60.0° |
| C6 | C1 | H11 | H12 | 119.4° | 119.9° |
| C6 | C1 | C2 | C3 | 57.1° | 60.0° |
| C6 | C1 | C2 | H21 | 63.1° | 60.0° |
| C6 | C1 | C2 | H22 | 177.3° | 180.0° |
| C1 | C6 | C5 | C4 | 58.0° | 60.0° |
| C1 | C6 | C5 | C7 | 122.3° | 120.0° |
| C1 | C6 | C5 | H61 | 118.7° | 119.9° |
| C1 | C6 | C5 | H51 | 178.1° | 180.0° |
| C1 | C6 | C5 | H52 | 62.2° | 60.1° |
| C1 | C6 | C7 | H61 | 119.1° | 120.0° |
| C1 | C6 | C7 | C8 | 70.8° | 175.0° |
| C1 | C6 | C7 | H71 | 169.1° | 65.0° |
| C1 | C6 | C7 | H72 | 49.3° | 55.0° |
| H11 | C1 | C2 | C3 | 63.1° | 60.0° |
| H11 | C1 | C2 | H21 | 176.7° | 179.9° |
| H11 | C1 | C2 | H22 | 57.1° | 60.0° |
| H11 | C1 | C6 | C5 | 62.6° | 60.0° |
| H11 | C1 | C6 | C7 | 59.6° | 60.0° |
| H11 | C1 | C6 | H61 | 178.7° | 180.0° |
| H12 | C1 | C2 | C3 | 177.3° | 180.0° |
| H12 | C1 | C2 | H21 | 57.1° | 60.0° |
| H12 | C1 | C2 | H22 | 62.5° | 60.0° |
| H12 | C1 | C6 | C5 | 177.8° | 180.0° |
| H12 | C1 | C6 | C7 | 60.0° | 60.0° |
| H12 | C1 | C6 | H61 | 59.1° | 60.1° |
| C3 | C2 | H21 | H22 | 119.4° | 119.9° |
| C2 | C3 | C4 | H31 | 120.2° | 120.1° |
| C2 | C3 | C4 | H32 | 120.2° | 120.0° |
| C2 | C3 | H31 | H32 | 119.5° | 120.0° |
| C2 | C3 | C4 | C5 | 56.8° | 60.0° |
| C2 | C3 | C4 | H41 | 63.4° | 60.1° |
| C2 | C3 | C4 | H42 | 177.0° | 180.0° |
| H21 | C2 | C3 | C4 | 63.7° | 60.1° |
| H21 | C2 | C3 | H31 | 56.4° | 60.0° |
| H21 | C2 | C3 | H32 | 176.1° | 179.9° |
| H22 | C2 | C3 | C4 | 176.6° | 180.0° |
| H22 | C2 | C3 | H31 | 63.2° | 60.0° |
| H22 | C2 | C3 | H32 | 56.4° | 60.0° |
| C4 | C3 | H31 | H32 | 119.5° | 120.0° |
| C3 | C4 | C5 | H41 | 120.2° | 120.0° |
| C3 | C4 | C5 | H42 | 120.2° | 120.0° |
| C3 | C4 | H41 | H42 | 119.5° | 119.9° |
| C3 | C4 | C5 | C6 | 57.8° | 60.0° |
| C3 | C4 | C5 | H51 | 177.9° | 180.0° |
| C3 | C4 | C5 | H52 | 62.4° | 60.0° |
| H31 | C3 | C4 | C5 | 177.0° | 180.0° |
| H31 | C3 | C4 | H41 | 56.8° | 60.0° |
| H31 | C3 | C4 | H42 | 62.8° | 59.9° |
| H32 | C3 | C4 | C5 | 63.4° | 60.0° |
| H32 | C3 | C4 | H41 | 176.4° | 180.0° |
| H32 | C3 | C4 | H42 | 56.8° | 60.1° |
| C5 | C4 | H41 | H42 | 119.5° | 120.0° |
| C4 | C5 | C6 | H51 | 120.1° | 120.0° |
| C4 | C5 | C6 | H52 | 120.2° | 120.1° |
| C4 | C5 | H51 | H52 | 119.5° | 120.1° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C6 | H61 | 60.8° | 59.9° |
| H41 | C4 | C5 | C6 | 62.4° | 60.0° |
| H41 | C4 | C5 | H51 | 57.7° | 60.0° |
| H41 | C4 | C5 | H52 | 177.4° | 180.0° |
| H42 | C4 | C5 | C6 | 178.0° | 180.0° |
| H42 | C4 | C5 | H51 | 61.9° | 60.0° |
| H42 | C4 | C5 | H52 | 57.8° | 60.0° |
| C6 | C5 | H51 | H52 | 119.5° | 120.0° |
| C5 | C6 | C7 | H61 | 119.0° | 120.0° |
| C5 | C6 | C7 | C8 | 167.3° | 65.0° |
| C5 | C6 | C7 | H71 | 47.2° | 55.0° |
| C5 | C6 | C7 | H72 | 72.6° | 175.0° |
| H51 | C5 | C6 | C7 | 59.6° | 60.0° |
| H51 | C5 | C6 | H61 | 59.4° | 60.0° |
| H52 | C5 | C6 | C7 | 60.1° | 60.0° |
| H52 | C5 | C6 | H61 | 179.1° | 180.0° |
| C6 | C7 | C8 | H71 | 120.1° | 120.0° |
| C6 | C7 | C8 | H72 | 120.1° | 119.9° |
| C6 | C7 | H71 | H72 | 119.7° | 120.0° |
| C6 | C7 | C8 | C9 | 176.7° | NaN° |
| C6 | C7 | C8 | H81 | 56.1° | 60.0° |
| C6 | C7 | C8 | H82 | 62.7° | 60.1° |
| H61 | C6 | C7 | C8 | 48.4° | 55.0° |
| H61 | C6 | C7 | H71 | 71.7° | 175.0° |
| H61 | C6 | C7 | H72 | 168.5° | 65.0° |
| C8 | C7 | H71 | H72 | 119.8° | 120.1° |
| C7 | C8 | C9 | H81 | 120.6° | 120.0° |
| C7 | C8 | C9 | H82 | 120.6° | 120.0° |
| C7 | C8 | H81 | H82 | 118.1° | 120.1° |
| C7 | C8 | C9 | C10 | 61.0° | 180.0° |
| C7 | C8 | C9 | H91 | 59.6° | 60.0° |
| C7 | C8 | C9 | H92 | 178.4° | 60.0° |
| H71 | C7 | C8 | C9 | 63.2° | 60.0° |
| H71 | C7 | C8 | H81 | 176.2° | 180.0° |
| H71 | C7 | C8 | H82 | 57.4° | 59.9° |
| H72 | C7 | C8 | C9 | 56.6° | 60.1° |
| H72 | C7 | C8 | H81 | 64.0° | 59.9° |
| H72 | C7 | C8 | H82 | 177.2° | 180.0° |
| C9 | C8 | H81 | H82 | 118.1° | 120.0° |
| C8 | C9 | C10 | H91 | 120.6° | 120.1° |
| C8 | C9 | C10 | H92 | 120.6° | 120.0° |
| C8 | C9 | H91 | H92 | 118.2° | 120.0° |
| C8 | C9 | C10 | C11 | 152.7° | 180.0° |
| C8 | C9 | C10 | H101 | 32.7° | 60.0° |
| C8 | C9 | C10 | H102 | 87.3° | 60.0° |
| H81 | C8 | C9 | C10 | 178.4° | 60.0° |
| H81 | C8 | C9 | H91 | 61.0° | 180.0° |
| H81 | C8 | C9 | H92 | 57.8° | 60.0° |
| H82 | C8 | C9 | C10 | 59.6° | 60.0° |
| H82 | C8 | C9 | H91 | 179.8° | 60.0° |
| H82 | C8 | C9 | H92 | 60.9° | 180.0° |
| C10 | C9 | H91 | H92 | 118.2° | 120.0° |
| C9 | C10 | C11 | H101 | 120.0° | 120.0° |
| C9 | C10 | C11 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H102 | 120.0° | 120.1° |
| C9 | C10 | C11 | O1 | 68.3° | 180.0° |
| C9 | C10 | C11 | H111 | 172.1° | 60.0° |
| C9 | C10 | C11 | H112 | 51.1° | 60.0° |
| H91 | C9 | C10 | C11 | 86.7° | 59.9° |
| H91 | C9 | C10 | H101 | 153.3° | 179.9° |
| H91 | C9 | C10 | H102 | 33.3° | 60.0° |
| H92 | C9 | C10 | C11 | 32.1° | 60.0° |
| H92 | C9 | C10 | H101 | 87.9° | 60.0° |
| H92 | C9 | C10 | H102 | 152.1° | 180.0° |
| C11 | C10 | H101 | H102 | 120.0° | 120.0° |
| C10 | C11 | O1 | H111 | 119.5° | 120.0° |
| C10 | C11 | O1 | H112 | 119.5° | 120.0° |
| C10 | C11 | H111 | H112 | 121.5° | 120.0° |
| C10 | C11 | O1 | H1O | 180.0° | 180.0° |
| H101 | C10 | C11 | O1 | 51.7° | 60.0° |
| H101 | C10 | C11 | H111 | 67.8° | 179.9° |
| H101 | C10 | C11 | H112 | 171.2° | 60.0° |
| H102 | C10 | C11 | O1 | 171.7° | 60.0° |
| H102 | C10 | C11 | H111 | 52.1° | 60.1° |
| H102 | C10 | C11 | H112 | 68.9° | 180.0° |
| O1 | C11 | H111 | H112 | 121.4° | 120.0° |
| H111 | C11 | O1 | H1O | 60.5° | 59.9° |
| H112 | C11 | O1 | H1O | 60.5° | 60.0° |
