Z6W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.38Å | |
| C1 | C2 | sing | 1.53Å | 1.47Å | |
| C1 | O1 | sing | 1.43Å | 1.31Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.54Å | 1.44Å | |
| C2 | O5 | sing | 1.44Å | 1.36Å | |
| C3 | C4 | sing | 1.55Å | 1.38Å | |
| C3 | O3 | sing | 1.43Å | 1.34Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.55Å | 1.42Å | |
| C4 | O4 | sing | 1.43Å | 1.33Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.45Å | 1.39Å | |
| C5 | C6 | sing | 1.53Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.41Å | |
| C7 | O7 | sing | 1.43Å | 1.31Å | |
| C7 | C6 | sing | 1.53Å | 1.44Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.41Å | |
| C8 | H71 | sing | 1.09Å | 1.10Å | |
| C8 | H72 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.40Å | |
| C9 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H82 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.40Å | |
| C10 | H91 | sing | 1.09Å | 1.10Å | |
| C10 | H92 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.40Å | |
| C11 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.41Å | |
| C12 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.40Å | |
| C13 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H133 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| HO2 | O2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C1 | 112.7° | 109.9° |
| O2 | C2 | C3 | 108.9° | 109.9° |
| O2 | C2 | O5 | 110.1° | 109.9° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | O1 | 113.9° | 109.5° |
| C2 | C1 | H11 | 108.3° | 109.5° |
| C2 | C1 | H12 | 108.3° | 109.5° |
| C1 | C2 | C3 | 112.2° | 109.9° |
| C1 | C2 | O5 | 114.3° | 109.9° |
| O1 | C1 | H11 | 108.4° | 109.4° |
| O1 | C1 | H12 | 108.4° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.1° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| C3 | C2 | O5 | 97.7° | 107.4° |
| C2 | C3 | C4 | 97.2° | 104.2° |
| C2 | C3 | O3 | 115.3° | 110.5° |
| C2 | C3 | H3 | 109.7° | 110.5° |
| C2 | O5 | C5 | 106.9° | 106.8° |
| C4 | C3 | O3 | 112.0° | 110.5° |
| C4 | C3 | H3 | 110.5° | 110.5° |
| C3 | C4 | C5 | 97.0° | 102.1° |
| C3 | C4 | O4 | 114.1° | 110.9° |
| C3 | C4 | H4 | 110.1° | 110.9° |
| O3 | C3 | H3 | 111.3° | 110.5° |
| C3 | O3 | HO3 | 109.5° | 113.9° |
| C5 | C4 | O4 | 114.3° | 110.9° |
| C5 | C4 | H4 | 109.6° | 110.9° |
| C4 | C5 | O5 | 103.8° | 103.6° |
| C4 | C5 | C6 | 110.6° | 110.6° |
| C4 | C5 | H5 | 109.2° | 110.6° |
| O4 | C4 | H4 | 110.9° | 110.9° |
| C4 | O4 | HO4 | 109.5° | 113.9° |
| O5 | C5 | C6 | 114.5° | 110.6° |
| O5 | C5 | H5 | 109.6° | 110.5° |
| C6 | C5 | H5 | 109.0° | 110.6° |
| C5 | C6 | C7 | 114.4° | 109.5° |
| C5 | C6 | H61 | 108.2° | 109.4° |
| C5 | C6 | H62 | 108.2° | 109.4° |
| C8 | C7 | O7 | 119.5° | 109.5° |
| C8 | C7 | C6 | 118.7° | 109.5° |
| C8 | C7 | H7 | 90.2° | 109.4° |
| C7 | C8 | C9 | 110.9° | 109.5° |
| C7 | C8 | H71 | 109.1° | 109.5° |
| C7 | C8 | H72 | 109.1° | 109.4° |
| O7 | C7 | C6 | 121.8° | 109.5° |
| O7 | C7 | H7 | 90.2° | 109.4° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C6 | C7 | H7 | 90.2° | 109.5° |
| C7 | C6 | H61 | 108.2° | 109.5° |
| C7 | C6 | H62 | 108.2° | 109.4° |
| C9 | C8 | H71 | 109.1° | 109.5° |
| C9 | C8 | H72 | 109.1° | 109.4° |
| C8 | C9 | C10 | 109.3° | 109.4° |
| C8 | C9 | H81 | 109.5° | 109.5° |
| C8 | C9 | H82 | 109.5° | 109.4° |
| H71 | C8 | H72 | 109.5° | 109.5° |
| C10 | C9 | H81 | 109.5° | 109.4° |
| C10 | C9 | H82 | 109.5° | 109.5° |
| C9 | C10 | C11 | 109.7° | 109.5° |
| C9 | C10 | H91 | 109.4° | 109.5° |
| C9 | C10 | H92 | 109.4° | 109.5° |
| H81 | C9 | H82 | 109.5° | 109.5° |
| C11 | C10 | H91 | 109.4° | 109.4° |
| C11 | C10 | H92 | 109.4° | 109.5° |
| C10 | C11 | C12 | 107.8° | 109.5° |
| C10 | C11 | H101 | 109.9° | 109.4° |
| C10 | C11 | H102 | 109.9° | 109.4° |
| H91 | C10 | H92 | 109.5° | 109.4° |
| C12 | C11 | H101 | 109.9° | 109.5° |
| C12 | C11 | H102 | 109.9° | 109.5° |
| C11 | C12 | C13 | 106.6° | 109.5° |
| C11 | C12 | H111 | 110.2° | 109.4° |
| C11 | C12 | H112 | 110.2° | 109.5° |
| H101 | C11 | H102 | 109.5° | 109.5° |
| C13 | C12 | H111 | 110.2° | 109.4° |
| C13 | C12 | H112 | 110.2° | 109.5° |
| C12 | C13 | C14 | 110.2° | 109.5° |
| C12 | C13 | H121 | 109.3° | 109.4° |
| C12 | C13 | H122 | 109.3° | 109.5° |
| H111 | C12 | H112 | 109.5° | 109.5° |
| C14 | C13 | H121 | 109.3° | 109.4° |
| C14 | C13 | H122 | 109.3° | 109.5° |
| C13 | C14 | H131 | 109.5° | 109.5° |
| C13 | C14 | H132 | 109.5° | 109.5° |
| C13 | C14 | H133 | 109.5° | 109.5° |
| H121 | C13 | H122 | 109.5° | 109.5° |
| H131 | C14 | H132 | 109.4° | 109.5° |
| H131 | C14 | H133 | 109.4° | 109.5° |
| H132 | C14 | H133 | 109.5° | 109.4° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C1 | C3 | 123.3° | 121.0° |
| O2 | C2 | C1 | O5 | 126.6° | 121.0° |
| O2 | C2 | C1 | O1 | 52.5° | 59.4° |
| O2 | C2 | C1 | H11 | 173.2° | 60.7° |
| O2 | C2 | C1 | H12 | 68.1° | 179.3° |
| O2 | C2 | C3 | O5 | 114.3° | 119.5° |
| O2 | C2 | C3 | C4 | 58.3° | 121.5° |
| O2 | C2 | C3 | O3 | 60.2° | 2.8° |
| O2 | C2 | C3 | H3 | 173.1° | 119.8° |
| O2 | C2 | O5 | C5 | 81.7° | 145.8° |
| C2 | C1 | O1 | H11 | 120.7° | 120.1° |
| C2 | C1 | O1 | H12 | 120.6° | 120.0° |
| C2 | C1 | H11 | H12 | 117.9° | 120.0° |
| C1 | C2 | C3 | O5 | 120.2° | 119.5° |
| C1 | C2 | C3 | C4 | 176.2° | 117.6° |
| C1 | C2 | C3 | O3 | 65.2° | 123.7° |
| C1 | C2 | C3 | H3 | 61.4° | 1.1° |
| C1 | C2 | O5 | C5 | 150.3° | 93.2° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.3° |
| O1 | C1 | H11 | H12 | 118.0° | 120.0° |
| O1 | C1 | C2 | C3 | 70.8° | 179.7° |
| O1 | C1 | C2 | O5 | 179.2° | 61.7° |
| H11 | C1 | C2 | C3 | 49.9° | 60.3° |
| H11 | C1 | C2 | O5 | 60.2° | 178.3° |
| H11 | C1 | O1 | HO1 | 59.3° | 59.9° |
| H12 | C1 | C2 | C3 | 168.5° | 59.7° |
| H12 | C1 | C2 | O5 | 58.5° | 58.3° |
| H12 | C1 | O1 | HO1 | 59.4° | 60.0° |
| C2 | C3 | C4 | O3 | 121.1° | 118.6° |
| C2 | C3 | C4 | H3 | 114.2° | 118.7° |
| C2 | C3 | O3 | H3 | 125.8° | 122.6° |
| C2 | C3 | C4 | C5 | 57.3° | 20.9° |
| C2 | C3 | C4 | O4 | 177.9° | 139.0° |
| C2 | C3 | C4 | H4 | 56.6° | 97.3° |
| C3 | C2 | O5 | C5 | 31.7° | 26.3° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C3 | C2 | O2 | HO2 | 54.8° | 179.7° |
| O5 | C2 | C3 | C4 | 56.0° | 2.0° |
| O5 | C2 | C3 | O3 | 174.6° | 116.7° |
| O5 | C2 | C3 | H3 | 58.8° | 120.7° |
| C2 | O5 | C5 | C4 | 3.1° | 39.9° |
| C2 | O5 | C5 | C6 | 123.7° | 158.5° |
| C2 | O5 | C5 | H5 | 113.4° | 78.6° |
| O5 | C2 | O2 | HO2 | 51.2° | 61.7° |
| C4 | C3 | O3 | H3 | 124.3° | 122.7° |
| C3 | C4 | C5 | O4 | 120.5° | 118.2° |
| C3 | C4 | C5 | H4 | 114.3° | 118.2° |
| C3 | C4 | O4 | H4 | 125.1° | 123.7° |
| C3 | C4 | C5 | O5 | 38.1° | 37.0° |
| C3 | C4 | C5 | C6 | 161.4° | 155.5° |
| C3 | C4 | C5 | H5 | 78.7° | 81.5° |
| C4 | C3 | O3 | HO3 | 70.0° | 65.2° |
| C3 | C4 | O4 | HO4 | 180.0° | 61.5° |
| O3 | C3 | C4 | C5 | 178.4° | 139.5° |
| O3 | C3 | C4 | O4 | 61.0° | 102.3° |
| O3 | C3 | C4 | H4 | 64.5° | 21.4° |
| H3 | C3 | C4 | C5 | 56.9° | 97.8° |
| H3 | C3 | C4 | O4 | 63.7° | 20.4° |
| H3 | C3 | C4 | H4 | 170.7° | 144.0° |
| H3 | C3 | O3 | HO3 | 54.2° | 57.4° |
| C5 | C4 | O4 | H4 | 124.5° | 123.6° |
| C4 | C5 | O5 | C6 | 120.7° | 118.6° |
| C4 | C5 | O5 | H5 | 116.5° | 118.5° |
| C4 | C5 | C6 | H5 | 120.1° | 123.0° |
| C5 | C4 | O4 | HO4 | 69.6° | 174.2° |
| C4 | C5 | C6 | C7 | 179.6° | 175.0° |
| C4 | C5 | C6 | H61 | 58.9° | 55.0° |
| C4 | C5 | C6 | H62 | 59.7° | 65.0° |
| O4 | C4 | C5 | O5 | 158.6° | 155.2° |
| O4 | C4 | C5 | C6 | 78.2° | 86.3° |
| O4 | C4 | C5 | H5 | 41.8° | 36.7° |
| H4 | C4 | C5 | O5 | 76.2° | 81.2° |
| H4 | C4 | C5 | C6 | 47.1° | 37.3° |
| H4 | C4 | C5 | H5 | 167.0° | 160.3° |
| H4 | C4 | O4 | HO4 | 54.9° | 62.2° |
| O5 | C5 | C6 | H5 | 123.2° | 122.8° |
| O5 | C5 | C6 | C7 | 63.6° | 70.8° |
| O5 | C5 | C6 | H61 | 175.6° | 169.2° |
| O5 | C5 | C6 | H62 | 57.1° | 49.2° |
| C5 | C6 | C7 | C8 | 169.7° | 175.0° |
| C5 | C6 | C7 | O7 | 10.9° | 64.9° |
| C5 | C6 | C7 | H61 | 120.7° | 120.0° |
| C5 | C6 | C7 | H62 | 120.7° | 120.0° |
| C5 | C6 | C7 | H7 | 79.4° | 55.0° |
| C5 | C6 | H61 | H62 | 117.8° | 120.0° |
| H5 | C5 | C6 | C7 | 59.5° | 52.0° |
| H5 | C5 | C6 | H61 | 61.2° | 68.0° |
| H5 | C5 | C6 | H62 | 179.7° | 172.0° |
| C8 | C7 | O7 | C6 | 179.3° | 120.1° |
| C8 | C7 | O7 | H7 | 90.3° | 119.9° |
| C8 | C7 | C6 | H7 | 90.3° | 120.0° |
| C7 | C8 | C9 | H71 | 120.2° | 120.0° |
| C7 | C8 | C9 | H72 | 120.2° | 119.9° |
| C7 | C8 | H71 | H72 | 119.3° | 120.0° |
| C7 | C8 | C9 | C10 | 178.3° | 180.0° |
| C7 | C8 | C9 | H81 | 58.3° | 60.0° |
| C7 | C8 | C9 | H82 | 61.7° | 60.1° |
| C8 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C8 | C7 | C6 | H61 | 49.0° | 55.0° |
| C8 | C7 | C6 | H62 | 69.5° | 65.1° |
| O7 | C7 | C6 | H7 | 90.4° | 120.0° |
| O7 | C7 | C8 | C9 | 64.5° | 64.9° |
| O7 | C7 | C8 | H71 | 55.7° | 175.0° |
| O7 | C7 | C8 | H72 | 175.3° | 55.0° |
| O7 | C7 | C6 | H61 | 131.7° | 175.1° |
| O7 | C7 | C6 | H62 | 109.8° | 55.0° |
| C6 | C7 | C8 | C9 | 114.9° | 175.0° |
| C6 | C7 | C8 | H71 | 124.9° | 54.9° |
| C6 | C7 | C8 | H72 | 5.4° | 65.1° |
| C6 | C7 | O7 | HO7 | 0.7° | 60.0° |
| C7 | C6 | H61 | H62 | 117.7° | 120.0° |
| H7 | C7 | C8 | C9 | 154.8° | 55.0° |
| H7 | C7 | C8 | H71 | 34.6° | 65.0° |
| H7 | C7 | C8 | H72 | 84.9° | 175.0° |
| H7 | C7 | O7 | HO7 | 89.7° | 180.0° |
| H7 | C7 | C6 | H61 | 41.3° | 65.0° |
| H7 | C7 | C6 | H62 | 159.8° | 175.0° |
| C9 | C8 | H71 | H72 | 119.4° | 120.0° |
| C8 | C9 | C10 | H81 | 120.0° | 120.0° |
| C8 | C9 | C10 | H82 | 119.9° | 120.0° |
| C8 | C9 | H81 | H82 | 120.1° | 120.0° |
| C8 | C9 | C10 | C11 | 179.4° | 180.0° |
| C8 | C9 | C10 | H91 | 60.6° | 60.0° |
| C8 | C9 | C10 | H92 | 59.3° | 60.0° |
| H71 | C8 | C9 | C10 | 61.5° | 60.0° |
| H71 | C8 | C9 | H81 | 178.5° | 180.0° |
| H71 | C8 | C9 | H82 | 58.5° | 60.0° |
| H72 | C8 | C9 | C10 | 58.1° | 60.0° |
| H72 | C8 | C9 | H81 | 61.9° | 59.9° |
| H72 | C8 | C9 | H82 | 178.0° | 180.0° |
| C10 | C9 | H81 | H82 | 120.1° | 120.0° |
| C9 | C10 | C11 | H91 | 120.1° | 120.1° |
| C9 | C10 | C11 | H92 | 120.0° | 120.0° |
| C9 | C10 | H91 | H92 | 119.9° | 120.0° |
| C9 | C10 | C11 | C12 | 177.6° | 180.0° |
| C9 | C10 | C11 | H101 | 57.9° | 60.0° |
| C9 | C10 | C11 | H102 | 62.6° | 60.0° |
| H81 | C9 | C10 | C11 | 59.4° | 60.0° |
| H81 | C9 | C10 | H91 | 179.4° | 180.0° |
| H81 | C9 | C10 | H92 | 60.6° | 60.0° |
| H82 | C9 | C10 | C11 | 60.7° | 60.0° |
| H82 | C9 | C10 | H91 | 59.3° | 60.0° |
| H82 | C9 | C10 | H92 | 179.3° | 180.0° |
| C11 | C10 | H91 | H92 | 119.8° | 119.9° |
| C10 | C11 | C12 | H101 | 119.8° | 120.0° |
| C10 | C11 | C12 | H102 | 119.7° | 120.0° |
| C10 | C11 | H101 | H102 | 120.7° | 119.9° |
| C10 | C11 | C12 | C13 | 119.3° | 180.0° |
| C10 | C11 | C12 | H111 | 121.1° | 60.0° |
| C10 | C11 | C12 | H112 | 0.2° | 60.0° |
| H91 | C10 | C11 | C12 | 62.3° | 59.9° |
| H91 | C10 | C11 | H101 | 177.9° | 180.0° |
| H91 | C10 | C11 | H102 | 57.4° | 60.1° |
| H92 | C10 | C11 | C12 | 57.6° | 60.0° |
| H92 | C10 | C11 | H101 | 62.2° | 60.1° |
| H92 | C10 | C11 | H102 | 177.3° | 180.0° |
| C12 | C11 | H101 | H102 | 120.8° | 120.0° |
| C11 | C12 | C13 | H111 | 119.5° | 119.9° |
| C11 | C12 | C13 | H112 | 119.6° | 120.0° |
| C11 | C12 | H111 | H112 | 121.3° | 120.0° |
| C11 | C12 | C13 | C14 | 179.5° | 180.0° |
| C11 | C12 | C13 | H121 | 59.4° | 60.1° |
| C11 | C12 | C13 | H122 | 60.3° | 60.0° |
| H101 | C11 | C12 | C13 | 0.4° | 60.0° |
| H101 | C11 | C12 | H111 | 119.2° | 180.0° |
| H101 | C11 | C12 | H112 | 120.0° | 60.0° |
| H102 | C11 | C12 | C13 | 120.9° | 60.0° |
| H102 | C11 | C12 | H111 | 1.4° | 59.9° |
| H102 | C11 | C12 | H112 | 119.5° | 179.9° |
| C13 | C12 | H111 | H112 | 121.3° | 120.0° |
| C12 | C13 | C14 | H121 | 120.1° | 119.9° |
| C12 | C13 | C14 | H122 | 120.1° | 120.1° |
| C12 | C13 | H121 | H122 | 119.6° | 120.0° |
| C12 | C13 | C14 | H131 | 180.0° | 60.0° |
| C12 | C13 | C14 | H132 | 60.0° | 60.0° |
| C12 | C13 | C14 | H133 | 60.0° | 179.9° |
| H111 | C12 | C13 | C14 | 60.9° | 60.1° |
| H111 | C12 | C13 | H121 | 179.0° | 180.0° |
| H111 | C12 | C13 | H122 | 59.2° | 60.0° |
| H112 | C12 | C13 | C14 | 60.0° | 60.0° |
| H112 | C12 | C13 | H121 | 60.1° | 60.0° |
| H112 | C12 | C13 | H122 | 179.9° | 180.0° |
| C14 | C13 | H121 | H122 | 119.7° | 120.0° |
| C13 | C14 | H131 | H132 | 120.0° | 120.0° |
| C13 | C14 | H131 | H133 | 120.0° | 120.0° |
| C13 | C14 | H132 | H133 | 120.0° | 120.0° |
| H121 | C13 | C14 | H131 | 59.9° | 180.0° |
| H121 | C13 | C14 | H132 | 179.9° | 60.0° |
| H121 | C13 | C14 | H133 | 60.1° | 60.0° |
| H122 | C13 | C14 | H131 | 59.9° | 60.1° |
| H122 | C13 | C14 | H132 | 60.1° | 179.9° |
| H122 | C13 | C14 | H133 | 179.9° | 60.0° |
| H131 | C14 | H132 | H133 | 119.9° | 120.0° |
