ZE7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C12 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | 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) |
| O1 | C1 | C2 | 109.0° | 109.5° |
| O1 | C1 | H11 | 109.6° | 109.5° |
| O1 | C1 | H12 | 109.6° | 109.5° |
| C1 | O1 | H1O | 109.5° | 114.0° |
| C2 | C1 | H11 | 109.6° | 109.5° |
| C2 | C1 | H12 | 109.6° | 109.4° |
| C1 | C2 | C3 | 109.4° | 109.5° |
| C1 | C2 | H21 | 109.5° | 109.5° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| C3 | C2 | H21 | 109.5° | 109.4° |
| C3 | C2 | H22 | 109.5° | 109.5° |
| C2 | C3 | C4 | 109.3° | 109.5° |
| C2 | C3 | H31 | 109.5° | 109.4° |
| C2 | C3 | H32 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| C4 | C3 | H31 | 109.5° | 109.5° |
| C4 | C3 | H32 | 109.5° | 109.5° |
| C3 | C4 | C5 | 109.1° | 109.5° |
| C3 | C4 | H41 | 109.6° | 109.5° |
| C3 | C4 | H42 | 109.6° | 109.5° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| C5 | C4 | H41 | 109.6° | 109.4° |
| C5 | C4 | H42 | 109.6° | 109.5° |
| C4 | C5 | C6 | 109.3° | 109.5° |
| C4 | C5 | H51 | 109.5° | 109.4° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| C6 | C5 | H51 | 109.5° | 109.5° |
| C6 | C5 | H52 | 109.5° | 109.5° |
| C5 | C6 | C7 | 109.8° | 109.5° |
| C5 | C6 | H61 | 109.4° | 109.5° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| C7 | C6 | H61 | 109.4° | 109.4° |
| C7 | C6 | H62 | 109.4° | 109.5° |
| C6 | C7 | C8 | 109.6° | 109.5° |
| C6 | C7 | C12 | 109.6° | 109.5° |
| C6 | C7 | H71 | 109.3° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| C8 | C7 | C12 | 109.8° | 109.5° |
| C8 | C7 | H71 | 109.2° | 109.5° |
| C7 | C8 | C9 | 110.7° | 109.5° |
| C7 | C8 | H81 | 109.2° | 109.5° |
| C7 | C8 | H82 | 109.2° | 109.5° |
| C12 | C7 | H71 | 109.3° | 109.5° |
| C7 | C12 | C11 | 110.3° | 109.4° |
| C7 | C12 | H121 | 109.3° | 109.5° |
| C7 | C12 | H122 | 109.3° | 109.5° |
| C9 | C8 | H81 | 109.1° | 109.5° |
| C9 | C8 | H82 | 109.1° | 109.4° |
| C8 | C9 | C10 | 110.4° | 109.4° |
| C8 | C9 | H91 | 109.2° | 109.4° |
| C8 | C9 | H92 | 109.3° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| C10 | C9 | H91 | 109.2° | 109.5° |
| C10 | C9 | H92 | 109.2° | 109.5° |
| C9 | C10 | C11 | 110.3° | 109.5° |
| C9 | C10 | H101 | 109.3° | 109.5° |
| C9 | C10 | H102 | 109.3° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| C11 | C10 | H101 | 109.3° | 109.5° |
| C11 | C10 | H102 | 109.3° | 109.5° |
| C10 | C11 | C12 | 110.7° | 109.5° |
| C10 | C11 | H111 | 109.1° | 109.5° |
| C10 | C11 | H112 | 109.2° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| C12 | C11 | H111 | 109.2° | 109.5° |
| C12 | C11 | H112 | 109.2° | 109.5° |
| C11 | C12 | H121 | 109.3° | 109.4° |
| C11 | C12 | H122 | 109.3° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 119.9° | 120.0° |
| O1 | C1 | C2 | H12 | 119.9° | 120.0° |
| O1 | C1 | H11 | H12 | 120.2° | 120.1° |
| O1 | C1 | C2 | C3 | 166.6° | 180.0° |
| O1 | C1 | C2 | H21 | 46.6° | 60.0° |
| O1 | C1 | C2 | H22 | 73.4° | 60.0° |
| C2 | C1 | H11 | H12 | 120.2° | 119.9° |
| C1 | C2 | C3 | H21 | 120.0° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 147.5° | 180.0° |
| C1 | C2 | C3 | H31 | 27.5° | 60.0° |
| C1 | C2 | C3 | H32 | 92.5° | 60.0° |
| C2 | C1 | O1 | H1O | 180.0° | 180.0° |
| H11 | C1 | C2 | C3 | 73.5° | 60.0° |
| H11 | C1 | C2 | H21 | 166.5° | 180.0° |
| H11 | C1 | C2 | H22 | 46.5° | 60.0° |
| H11 | C1 | O1 | H1O | 60.0° | 60.0° |
| H12 | C1 | C2 | C3 | 46.7° | 60.0° |
| H12 | C1 | C2 | H21 | 73.3° | 60.0° |
| H12 | C1 | C2 | H22 | 166.6° | 180.0° |
| H12 | C1 | O1 | H1O | 60.1° | 60.1° |
| C3 | C2 | H21 | H22 | 120.0° | 119.9° |
| C2 | C3 | C4 | H31 | 120.0° | 120.0° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 120.1° | 119.9° |
| C2 | C3 | C4 | C5 | 145.7° | 180.0° |
| C2 | C3 | C4 | H41 | 94.4° | 60.0° |
| C2 | C3 | C4 | H42 | 25.8° | 60.0° |
| H21 | C2 | C3 | C4 | 92.5° | 60.0° |
| H21 | C2 | C3 | H31 | 147.5° | 180.0° |
| H21 | C2 | C3 | H32 | 27.5° | 60.0° |
| H22 | C2 | C3 | C4 | 27.5° | 60.0° |
| H22 | C2 | C3 | H31 | 92.5° | 60.0° |
| H22 | C2 | C3 | H32 | 147.5° | 180.0° |
| C4 | C3 | H31 | H32 | 120.1° | 120.0° |
| C3 | C4 | C5 | H41 | 120.0° | 120.0° |
| C3 | C4 | C5 | H42 | 119.9° | 120.0° |
| C3 | C4 | H41 | H42 | 120.2° | 120.0° |
| C3 | C4 | C5 | C6 | 117.1° | 180.0° |
| C3 | C4 | C5 | H51 | 122.9° | 60.0° |
| C3 | C4 | C5 | H52 | 2.8° | 60.0° |
| H31 | C3 | C4 | C5 | 25.7° | 60.0° |
| H31 | C3 | C4 | H41 | 145.7° | 180.0° |
| H31 | C3 | C4 | H42 | 94.2° | 60.0° |
| H32 | C3 | C4 | C5 | 94.3° | 60.0° |
| H32 | C3 | C4 | H41 | 25.6° | 60.0° |
| H32 | C3 | C4 | H42 | 145.7° | NaN° |
| C5 | C4 | H41 | H42 | 120.2° | 119.9° |
| C4 | C5 | C6 | H51 | 120.0° | 120.0° |
| C4 | C5 | C6 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 120.1° | 119.9° |
| C4 | C5 | C6 | C7 | 174.7° | 180.0° |
| C4 | C5 | C6 | H61 | 54.6° | 60.0° |
| C4 | C5 | C6 | H62 | 65.3° | 60.0° |
| H41 | C4 | C5 | C6 | 2.8° | 60.0° |
| H41 | C4 | C5 | H51 | 117.1° | 179.9° |
| H41 | C4 | C5 | H52 | 122.8° | 60.0° |
| H42 | C4 | C5 | C6 | 123.0° | 60.0° |
| H42 | C4 | C5 | H51 | 3.0° | 60.1° |
| H42 | C4 | C5 | H52 | 117.1° | NaN° |
| C6 | C5 | H51 | H52 | 120.1° | 120.0° |
| C5 | C6 | C7 | H61 | 120.1° | 120.0° |
| C5 | C6 | C7 | H62 | 120.1° | 120.0° |
| C5 | C6 | H61 | H62 | 119.9° | 120.0° |
| C5 | C6 | C7 | C8 | 53.9° | 175.0° |
| C5 | C6 | C7 | C12 | 66.7° | 65.0° |
| C5 | C6 | C7 | H71 | 173.6° | 55.0° |
| H51 | C5 | C6 | C7 | 65.3° | 60.0° |
| H51 | C5 | C6 | H61 | 174.6° | 180.0° |
| H51 | C5 | C6 | H62 | 54.7° | 60.0° |
| H52 | C5 | C6 | C7 | 54.7° | 60.0° |
| H52 | C5 | C6 | H61 | 65.3° | 60.0° |
| H52 | C5 | C6 | H62 | 174.8° | 180.0° |
| C7 | C6 | H61 | H62 | 119.8° | 120.0° |
| C6 | C7 | C8 | C12 | 120.4° | 120.0° |
| C6 | C7 | C8 | H71 | 119.7° | 120.0° |
| C6 | C7 | C12 | H71 | 119.8° | 120.0° |
| C6 | C7 | C8 | C9 | 160.7° | 179.9° |
| C6 | C7 | C8 | H81 | 40.5° | 60.0° |
| C6 | C7 | C8 | H82 | 79.1° | 60.0° |
| C6 | C7 | C12 | C11 | 172.3° | 180.0° |
| C6 | C7 | C12 | H121 | 52.1° | 60.0° |
| C6 | C7 | C12 | H122 | 67.6° | 60.0° |
| H61 | C6 | C7 | C8 | 66.1° | 65.0° |
| H61 | C6 | C7 | C12 | 173.3° | 55.0° |
| H61 | C6 | C7 | H71 | 53.5° | 175.0° |
| H62 | C6 | C7 | C8 | 174.0° | 55.0° |
| H62 | C6 | C7 | C12 | 53.4° | 175.0° |
| H62 | C6 | C7 | H71 | 66.3° | 65.0° |
| C8 | C7 | C12 | H71 | 119.8° | 120.0° |
| C7 | C8 | C9 | H81 | 120.2° | 120.0° |
| C7 | C8 | C9 | H82 | 120.2° | 120.0° |
| C7 | C8 | H81 | H82 | 119.5° | 120.0° |
| C7 | C8 | C9 | C10 | 23.3° | 60.0° |
| C7 | C8 | C9 | H91 | 96.8° | 180.0° |
| C7 | C8 | C9 | H92 | 143.4° | 60.0° |
| C8 | C7 | C12 | C11 | 67.3° | 60.0° |
| C8 | C7 | C12 | H121 | 172.6° | 180.0° |
| C8 | C7 | C12 | H122 | 52.9° | 60.0° |
| C12 | C7 | C8 | C9 | 40.3° | 60.0° |
| C12 | C7 | C8 | H81 | 79.9° | 60.0° |
| C12 | C7 | C8 | H82 | 160.5° | 180.0° |
| C7 | C12 | C11 | C10 | 24.1° | 60.0° |
| C7 | C12 | C11 | H121 | 120.1° | 120.0° |
| C7 | C12 | C11 | H122 | 120.1° | 120.0° |
| C7 | C12 | C11 | H111 | 144.3° | 180.0° |
| C7 | C12 | C11 | H112 | 96.1° | 60.0° |
| C7 | C12 | H121 | H122 | 119.6° | 120.0° |
| H71 | C7 | C8 | C9 | 79.6° | 60.0° |
| H71 | C7 | C8 | H81 | 160.3° | 180.0° |
| H71 | C7 | C8 | H82 | 40.6° | 60.0° |
| H71 | C7 | C12 | C11 | 52.5° | 60.0° |
| H71 | C7 | C12 | H121 | 67.6° | 60.0° |
| H71 | C7 | C12 | H122 | 172.7° | 180.0° |
| C9 | C8 | H81 | H82 | 119.4° | 120.0° |
| C8 | C9 | C10 | H91 | 120.1° | 120.0° |
| C8 | C9 | C10 | H92 | 120.2° | 120.0° |
| C8 | C9 | H91 | H92 | 119.6° | 120.0° |
| C8 | C9 | C10 | C11 | 66.6° | 60.0° |
| C8 | C9 | C10 | H101 | 173.3° | 60.0° |
| C8 | C9 | C10 | H102 | 53.5° | 180.0° |
| H81 | C8 | C9 | C10 | 143.5° | 60.0° |
| H81 | C8 | C9 | H91 | 23.4° | 60.0° |
| H81 | C8 | C9 | H92 | 96.4° | NaN° |
| H82 | C8 | C9 | C10 | 96.9° | 180.0° |
| H82 | C8 | C9 | H91 | 143.0° | 60.0° |
| H82 | C8 | C9 | H92 | 23.2° | 60.0° |
| C10 | C9 | H91 | H92 | 119.6° | 120.0° |
| C9 | C10 | C11 | H101 | 120.1° | 120.0° |
| C9 | C10 | C11 | H102 | 120.1° | 120.0° |
| C9 | C10 | H101 | H102 | 119.6° | 120.0° |
| C9 | C10 | C11 | C12 | 39.7° | 60.0° |
| C9 | C10 | C11 | H111 | 80.5° | 180.0° |
| C9 | C10 | C11 | H112 | 159.9° | 60.0° |
| H91 | C9 | C10 | C11 | 53.5° | 180.0° |
| H91 | C9 | C10 | H101 | 66.6° | 60.0° |
| H91 | C9 | C10 | H102 | 173.6° | 60.0° |
| H92 | C9 | C10 | C11 | 173.3° | 60.0° |
| H92 | C9 | C10 | H101 | 53.2° | 180.0° |
| H92 | C9 | C10 | H102 | 66.6° | 60.0° |
| C11 | C10 | H101 | H102 | 119.6° | 120.0° |
| C10 | C11 | C12 | H111 | 120.1° | 120.0° |
| C10 | C11 | C12 | H112 | 120.2° | 120.0° |
| C10 | C11 | H111 | H112 | 119.5° | 120.0° |
| C10 | C11 | C12 | H121 | 144.3° | 180.0° |
| C10 | C11 | C12 | H122 | 96.0° | 60.0° |
| H101 | C10 | C11 | C12 | 159.8° | 60.0° |
| H101 | C10 | C11 | H111 | 39.6° | 60.0° |
| H101 | C10 | C11 | H112 | 80.0° | 180.0° |
| H102 | C10 | C11 | C12 | 80.4° | 179.9° |
| H102 | C10 | C11 | H111 | 159.4° | 59.9° |
| H102 | C10 | C11 | H112 | 39.8° | 60.0° |
| C12 | C11 | H111 | H112 | 119.4° | 120.0° |
| C11 | C12 | H121 | H122 | 119.6° | 120.0° |
| H111 | C11 | C12 | H121 | 95.6° | 60.0° |
| H111 | C11 | C12 | H122 | 24.1° | 60.0° |
| H112 | C11 | C12 | H121 | 24.1° | 60.0° |
| H112 | C11 | C12 | H122 | 143.8° | 180.0° |
