Obsolete: DQR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C11 | sing | 1.43Å | 1.41Å | |
| C11 | C21 | sing | 1.53Å | 1.49Å | |
| C21 | C31 | sing | 1.54Å | 1.49Å | |
| C21 | O10 | sing | 1.43Å | 1.43Å | |
| C21 | O21 | sing | 1.44Å | 1.41Å | |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| O30 | C30 | sing | 1.43Å | 1.42Å | |
| C31 | O31 | sing | 1.43Å | 1.41Å | |
| C31 | C41 | sing | 1.55Å | 1.50Å | |
| O10 | C10 | sing | 1.43Å | 1.43Å | |
| O21 | C51 | sing | 1.44Å | 1.40Å | |
| C10 | C20 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C30 | C20 | sing | 1.54Å | 1.50Å | |
| C30 | C40 | sing | 1.55Å | 1.50Å | |
| O1 | C20 | sing | 1.43Å | 1.42Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C20 | O20 | sing | 1.43Å | 1.41Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C51 | C41 | sing | 1.55Å | 1.51Å | |
| C51 | C61 | sing | 1.53Å | 1.50Å | |
| C41 | O41 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C1 | O5 | sing | 1.43Å | 1.41Å | |
| C40 | O40 | sing | 1.43Å | 1.41Å | |
| C40 | C50 | sing | 1.55Å | 1.51Å | |
| O61 | C61 | sing | 1.43Å | 1.41Å | |
| O20 | C50 | sing | 1.44Å | 1.43Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C50 | C60 | sing | 1.53Å | 1.52Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C60 | O60 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H61A | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O30 | H3 | sing | 0.97Å | 0.95Å | |
| O31 | H6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O40 | H2 | sing | 0.97Å | 0.95Å | |
| O41 | H4 | sing | 0.97Å | 0.95Å | |
| O60 | H60 | sing | 0.97Å | 0.95Å | |
| O61 | H61 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C11 | C21 | 104.0° | 109.4° |
| O11 | C11 | H112 | 110.8° | 109.5° |
| O11 | C11 | H111 | 110.8° | 109.5° |
| C11 | O11 | H11 | 109.5° | 114.0° |
| C11 | C21 | C31 | 107.9° | 109.9° |
| C11 | C21 | O10 | 112.0° | 109.9° |
| C11 | C21 | O21 | 110.0° | 109.9° |
| C21 | C11 | H112 | 110.8° | 109.5° |
| C21 | C11 | H111 | 110.8° | 109.5° |
| C31 | C21 | O10 | 111.3° | 109.8° |
| C31 | C21 | O21 | 105.5° | 107.3° |
| C21 | C31 | O31 | 110.2° | 110.5° |
| C21 | C31 | C41 | 102.3° | 104.2° |
| C21 | C31 | H31 | 109.6° | 110.5° |
| O10 | C21 | O21 | 109.9° | 110.0° |
| C21 | O10 | C10 | 114.3° | 114.0° |
| C21 | O21 | C51 | 109.1° | 107.0° |
| O2 | C2 | C3 | 107.5° | 109.6° |
| O2 | C2 | C1 | 108.5° | 109.6° |
| O2 | C2 | H7 | 110.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O3 | C3 | C2 | 109.6° | 109.6° |
| O3 | C3 | C4 | 109.4° | 109.5° |
| O3 | C3 | H8 | 109.8° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O30 | C30 | C20 | 113.0° | 110.9° |
| O30 | C30 | C40 | 110.9° | 110.8° |
| O30 | C30 | H30 | 111.0° | 110.9° |
| C30 | O30 | H3 | 109.5° | 114.1° |
| O31 | C31 | C41 | 114.1° | 110.5° |
| O31 | C31 | H31 | 110.7° | 110.4° |
| C31 | O31 | H6 | 109.5° | 114.1° |
| C31 | C41 | C51 | 105.3° | 102.1° |
| C31 | C41 | O41 | 109.7° | 110.9° |
| C41 | C31 | H31 | 109.5° | 110.6° |
| C31 | C41 | H41 | 110.1° | 110.9° |
| O10 | C10 | C20 | 111.6° | 109.5° |
| O10 | C10 | H102 | 108.9° | 109.5° |
| O10 | C10 | H101 | 108.9° | 109.5° |
| O21 | C51 | C41 | 106.5° | 103.4° |
| O21 | C51 | C61 | 105.9° | 110.6° |
| O21 | C51 | H51 | 111.0° | 110.8° |
| C10 | C20 | C30 | 110.9° | 109.8° |
| C10 | C20 | O1 | 111.0° | 109.8° |
| C10 | C20 | O20 | 112.3° | 109.8° |
| C20 | C10 | H102 | 108.9° | 109.5° |
| C20 | C10 | H101 | 108.9° | 109.5° |
| C2 | C3 | C4 | 110.6° | 109.1° |
| C3 | C2 | C1 | 112.0° | 109.1° |
| C3 | C2 | H7 | 109.2° | 109.5° |
| C2 | C3 | H8 | 108.7° | 109.5° |
| C3 | C4 | O4 | 108.7° | 109.6° |
| C3 | C4 | C5 | 111.0° | 109.2° |
| C4 | C3 | H8 | 108.7° | 109.5° |
| C3 | C4 | H9 | 108.5° | 109.5° |
| C2 | C1 | O1 | 110.3° | 109.5° |
| C2 | C1 | O5 | 108.8° | 109.4° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C1 | C2 | H7 | 109.1° | 109.6° |
| C20 | C30 | C40 | 101.9° | 102.2° |
| C30 | C20 | O1 | 108.9° | 109.9° |
| C30 | C20 | O20 | 106.3° | 107.6° |
| C20 | C30 | H30 | 109.8° | 110.9° |
| C30 | C40 | O40 | 111.1° | 111.1° |
| C30 | C40 | C50 | 102.6° | 100.9° |
| C40 | C30 | H30 | 109.9° | 110.9° |
| C30 | C40 | H40 | 110.0° | 111.2° |
| C20 | O1 | C1 | 115.1° | 114.0° |
| O1 | C20 | O20 | 107.2° | 109.8° |
| O1 | C1 | O5 | 108.4° | 109.5° |
| O1 | C1 | H1 | 110.3° | 109.5° |
| C20 | O20 | C50 | 110.4° | 110.0° |
| O4 | C4 | C5 | 110.6° | 109.5° |
| O4 | C4 | H9 | 109.7° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C41 | C51 | C61 | 114.3° | 110.6° |
| C51 | C41 | O41 | 110.3° | 110.8° |
| C51 | C41 | H41 | 110.0° | 110.9° |
| C41 | C51 | H51 | 109.5° | 110.6° |
| C51 | C61 | O61 | 107.4° | 109.5° |
| C61 | C51 | H51 | 109.5° | 110.6° |
| C51 | C61 | H612 | 110.0° | 109.5° |
| C51 | C61 | H611 | 110.0° | 109.5° |
| O41 | C41 | H41 | 111.3° | 110.8° |
| C41 | O41 | H4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 112.2° | 109.4° |
| C4 | C5 | C6 | 109.0° | 109.5° |
| C5 | C4 | H9 | 108.4° | 109.5° |
| C4 | C5 | H5 | 109.4° | 109.4° |
| C1 | O5 | C5 | 116.1° | 114.1° |
| O5 | C1 | H1 | 110.3° | 109.4° |
| O40 | C40 | C50 | 111.6° | 111.1° |
| O40 | C40 | H40 | 111.3° | 111.0° |
| C40 | O40 | H2 | 109.5° | 113.9° |
| C40 | C50 | O20 | 104.7° | 105.1° |
| C40 | C50 | C60 | 112.3° | 110.3° |
| C50 | C40 | H40 | 109.9° | 111.2° |
| C40 | C50 | H50 | 108.6° | 110.3° |
| O61 | C61 | H612 | 110.0° | 109.5° |
| O61 | C61 | H611 | 110.0° | 109.4° |
| C61 | O61 | H61 | 109.5° | 114.0° |
| O20 | C50 | C60 | 112.9° | 110.3° |
| O20 | C50 | H50 | 109.7° | 110.4° |
| O5 | C5 | C6 | 105.7° | 109.5° |
| O5 | C5 | H5 | 110.9° | 109.5° |
| C5 | C6 | O6 | 109.1° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C5 | C6 | H61A | 109.6° | 109.4° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C50 | C60 | O60 | 110.9° | 109.4° |
| C60 | C50 | H50 | 108.5° | 110.3° |
| C50 | C60 | H601 | 109.1° | 109.5° |
| C50 | C60 | H602 | 109.1° | 109.5° |
| O6 | C6 | H61A | 109.5° | 109.5° |
| O6 | C6 | H62 | 109.5° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O60 | C60 | H601 | 109.1° | 109.5° |
| O60 | C60 | H602 | 109.1° | 109.5° |
| C60 | O60 | H60 | 109.5° | 113.9° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.4° | 109.5° |
| H61A | C6 | H62 | 109.5° | 109.5° |
| H601 | C60 | H602 | 109.5° | 109.5° |
| H612 | C61 | H611 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C11 | C21 | H112 | 119.1° | 120.0° |
| O11 | C11 | C21 | H111 | 119.2° | 120.0° |
| O11 | C11 | C21 | C31 | 173.5° | 174.0° |
| O11 | C11 | C21 | O10 | 50.6° | 65.1° |
| O11 | C11 | C21 | O21 | 71.9° | 56.1° |
| O11 | C11 | H112 | H111 | 122.5° | 120.0° |
| C11 | C21 | C31 | O10 | 123.3° | 121.0° |
| C11 | C21 | C31 | O21 | 117.5° | 119.4° |
| C11 | C21 | O10 | O21 | 122.6° | 121.1° |
| C11 | C21 | C31 | O31 | 87.4° | 123.9° |
| C11 | C21 | C31 | C41 | 150.9° | 117.4° |
| C11 | C21 | O10 | C10 | 84.7° | 62.0° |
| C11 | C21 | O21 | C51 | 147.3° | 92.9° |
| C21 | C11 | H112 | H111 | 122.5° | 120.0° |
| C11 | C21 | C31 | H31 | 34.7° | 1.4° |
| C21 | C11 | O11 | H11 | 180.0° | 180.0° |
| C31 | C21 | O10 | O21 | 116.5° | 117.9° |
| C21 | C31 | O31 | C41 | 114.5° | 114.8° |
| C21 | C31 | O31 | H31 | 121.4° | 122.6° |
| C21 | C31 | C41 | H31 | 116.2° | 118.7° |
| C31 | C21 | O10 | C10 | 154.4° | 177.1° |
| C31 | C21 | O21 | C51 | 31.1° | 26.5° |
| C21 | C31 | C41 | C51 | 23.7° | 20.9° |
| C21 | C31 | C41 | O41 | 142.3° | 139.0° |
| C31 | C21 | C11 | H112 | 67.4° | 66.0° |
| C31 | C21 | C11 | H111 | 54.3° | 54.0° |
| C21 | C31 | C41 | H41 | 94.8° | 97.4° |
| C21 | C31 | O31 | H6 | 180.0° | 180.0° |
| O10 | C21 | C31 | O31 | 35.9° | 2.9° |
| O10 | C21 | C31 | C41 | 85.8° | 121.6° |
| O10 | C21 | O21 | C51 | 89.0° | 146.0° |
| C21 | O10 | C10 | C20 | 159.3° | 174.3° |
| C21 | O10 | C10 | H102 | 80.4° | 54.2° |
| C21 | O10 | C10 | H101 | 39.0° | 65.7° |
| O10 | C21 | C11 | H112 | 169.7° | 55.0° |
| O10 | C21 | C11 | H111 | 68.6° | 175.0° |
| O10 | C21 | C31 | H31 | 158.0° | 119.6° |
| O21 | C21 | C31 | O31 | 155.1° | 116.7° |
| O21 | C21 | C31 | C41 | 33.4° | 2.0° |
| O21 | C21 | O10 | C10 | 37.9° | 59.2° |
| C21 | O21 | C51 | C41 | 15.4° | 40.1° |
| C21 | O21 | C51 | C61 | 106.7° | 158.6° |
| O21 | C21 | C11 | H112 | 47.2° | 176.2° |
| O21 | C21 | C11 | H111 | 168.9° | 63.8° |
| O21 | C21 | C31 | H31 | 82.8° | 120.8° |
| C21 | O21 | C51 | H51 | 134.5° | 78.5° |
| O2 | C2 | C3 | O3 | 67.0° | 63.2° |
| O2 | C2 | C3 | C1 | 119.1° | 120.0° |
| O2 | C2 | C3 | H7 | 120.0° | 120.1° |
| O2 | C2 | C3 | C4 | 172.3° | 176.9° |
| O2 | C2 | C1 | H7 | 120.5° | 120.2° |
| O2 | C2 | C1 | O1 | 55.3° | 57.6° |
| O2 | C2 | C1 | O5 | 174.1° | 177.6° |
| O2 | C2 | C1 | H1 | 65.7° | 62.5° |
| O2 | C2 | C3 | H8 | 53.0° | 57.1° |
| O3 | C3 | C2 | C4 | 120.7° | 119.9° |
| O3 | C3 | C2 | H8 | 120.0° | 120.2° |
| O3 | C3 | C4 | H8 | 120.0° | 120.3° |
| O3 | C3 | C2 | C1 | 174.0° | 176.9° |
| O3 | C3 | C4 | O4 | 68.0° | 63.2° |
| O3 | C3 | C4 | C5 | 170.2° | 176.8° |
| O3 | C3 | C2 | H7 | 53.0° | 57.0° |
| O3 | C3 | C4 | H9 | 51.2° | 57.0° |
| O30 | C30 | C20 | C10 | 89.3° | 100.9° |
| O30 | C30 | C20 | C40 | 119.0° | 118.2° |
| O30 | C30 | C20 | H30 | 124.5° | 123.6° |
| O30 | C30 | C40 | H30 | 123.1° | 123.6° |
| O30 | C30 | C20 | O1 | 33.1° | 20.0° |
| O30 | C30 | C20 | O20 | 148.3° | 139.5° |
| O30 | C30 | C40 | O40 | 83.2° | 89.7° |
| O30 | C30 | C40 | C50 | 157.5° | 152.3° |
| O30 | C30 | C40 | H40 | 40.5° | 34.4° |
| O31 | C31 | C41 | H31 | 124.7° | 122.6° |
| O31 | C31 | C41 | C51 | 142.8° | 139.6° |
| O31 | C31 | C41 | O41 | 98.6° | 102.3° |
| O31 | C31 | C41 | H41 | 24.3° | 21.3° |
| C31 | C41 | C51 | O21 | 6.3° | 37.0° |
| C31 | C41 | C51 | O41 | 118.3° | 118.2° |
| C31 | C41 | C51 | H41 | 118.6° | 118.3° |
| C31 | C41 | C51 | C61 | 122.9° | 155.5° |
| C31 | C41 | O41 | H41 | 122.2° | 123.7° |
| C31 | C41 | C51 | H51 | 113.8° | 81.6° |
| C41 | C31 | O31 | H6 | 65.5° | 65.2° |
| C31 | C41 | O41 | H4 | 180.0° | 180.0° |
| O10 | C10 | C20 | H102 | 120.3° | 120.0° |
| O10 | C10 | C20 | H101 | 120.3° | 120.0° |
| O10 | C10 | C20 | C30 | 47.5° | 170.1° |
| O10 | C10 | C20 | O1 | 168.6° | 68.9° |
| O10 | C10 | C20 | O20 | 71.3° | 51.9° |
| O10 | C10 | H102 | H101 | 119.0° | 119.9° |
| O21 | C51 | C41 | C61 | 116.6° | 118.5° |
| O21 | C51 | C41 | H51 | 120.1° | 118.6° |
| O21 | C51 | C61 | H51 | 119.8° | 123.1° |
| O21 | C51 | C41 | O41 | 124.6° | 155.2° |
| O21 | C51 | C61 | O61 | 59.6° | 70.9° |
| O21 | C51 | C41 | H41 | 112.3° | 81.2° |
| O21 | C51 | C61 | H612 | 179.3° | 169.1° |
| O21 | C51 | C61 | H611 | 60.1° | 49.1° |
| C10 | C20 | C30 | O1 | 122.4° | 120.9° |
| C10 | C20 | C30 | O20 | 122.3° | 119.5° |
| C10 | C20 | C30 | C40 | 151.7° | 140.9° |
| C10 | C20 | O1 | O20 | 123.0° | 120.9° |
| C10 | C20 | O1 | C1 | 77.2° | 57.3° |
| C10 | C20 | O20 | C50 | 131.0° | 117.8° |
| C20 | C10 | H102 | H101 | 119.0° | 120.0° |
| C10 | C20 | C30 | H30 | 35.2° | 22.7° |
| C2 | C3 | C4 | H8 | 119.3° | 119.8° |
| C3 | C2 | C1 | H7 | 121.0° | 119.8° |
| C3 | C2 | C1 | O1 | 63.2° | 62.4° |
| C2 | C3 | C4 | O4 | 171.2° | 176.8° |
| C2 | C3 | C4 | C5 | 49.4° | 56.9° |
| C3 | C2 | C1 | O5 | 55.6° | 57.6° |
| C3 | C2 | C1 | H1 | 175.8° | 177.5° |
| C2 | C3 | C4 | H9 | 69.6° | 62.9° |
| C3 | C2 | O2 | HO2 | 180.0° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C4 | C3 | C2 | C1 | 53.3° | 57.0° |
| C3 | C4 | O4 | C5 | 122.1° | 119.7° |
| C3 | C4 | O4 | H9 | 118.4° | 120.2° |
| C3 | C4 | C5 | H9 | 119.0° | 119.9° |
| C3 | C4 | C5 | O5 | 50.0° | 57.6° |
| C3 | C4 | C5 | C6 | 166.7° | 177.5° |
| C4 | C3 | C2 | H7 | 67.7° | 62.9° |
| C3 | C4 | C5 | H5 | 73.5° | 62.4° |
| C4 | C3 | O3 | HO3 | 58.6° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C2 | C1 | O1 | C20 | 129.8° | 172.8° |
| C2 | C1 | O1 | O5 | 119.0° | 120.0° |
| C2 | C1 | O1 | H1 | 120.2° | 120.1° |
| C2 | C1 | O5 | H1 | 119.2° | 120.0° |
| C2 | C1 | O5 | C5 | 58.0° | 61.2° |
| C1 | C2 | C3 | H8 | 66.0° | 62.9° |
| C1 | C2 | O2 | HO2 | 58.7° | 60.0° |
| C20 | C30 | C40 | H30 | 116.4° | 118.2° |
| C30 | C20 | O1 | O20 | 114.6° | 118.2° |
| C30 | C20 | O1 | C1 | 160.5° | 178.3° |
| C20 | C30 | C40 | O40 | 156.3° | 152.1° |
| C20 | C30 | C40 | C50 | 37.0° | 34.2° |
| C30 | C20 | O20 | C50 | 9.6° | 1.7° |
| C30 | C20 | C10 | H102 | 72.9° | 69.9° |
| C30 | C20 | C10 | H101 | 167.8° | 50.1° |
| C20 | C30 | C40 | H40 | 80.0° | 83.8° |
| C20 | C30 | O30 | H3 | 180.0° | 180.0° |
| C40 | C30 | C20 | O1 | 85.9° | 98.2° |
| C40 | C30 | C20 | O20 | 29.3° | 21.4° |
| C30 | C40 | O40 | C50 | 113.8° | 111.6° |
| C30 | C40 | O40 | H40 | 123.0° | 124.2° |
| C30 | C40 | C50 | H40 | 117.0° | 118.0° |
| C30 | C40 | C50 | O20 | 32.1° | 36.5° |
| C30 | C40 | C50 | C60 | 155.0° | 155.4° |
| C30 | C40 | C50 | H50 | 85.0° | 82.5° |
| C40 | C30 | O30 | H3 | 66.3° | 67.2° |
| C30 | C40 | O40 | H2 | 180.0° | 180.0° |
| C20 | O1 | C1 | O5 | 111.2° | 67.2° |
| O1 | C20 | O20 | C50 | 106.7° | 121.3° |
| C20 | O1 | C1 | H1 | 9.6° | 52.7° |
| O1 | C20 | C10 | H102 | 48.3° | 51.1° |
| O1 | C20 | C10 | H101 | 71.1° | 171.0° |
| O1 | C20 | C30 | H30 | 157.7° | 143.6° |
| C1 | O1 | C20 | O20 | 45.9° | 63.6° |
| O1 | C1 | O5 | H1 | 120.8° | 120.0° |
| O1 | C1 | O5 | C5 | 61.9° | 58.9° |
| O1 | C1 | C2 | H7 | 175.8° | 177.7° |
| C20 | O20 | C50 | C40 | 14.2° | 24.4° |
| C20 | O20 | C50 | C60 | 136.7° | 143.3° |
| O20 | C20 | C10 | H102 | 168.4° | 172.0° |
| O20 | C20 | C10 | H101 | 49.0° | 68.1° |
| O20 | C20 | C30 | H30 | 87.1° | 96.8° |
| C20 | O20 | C50 | H50 | 102.2° | 94.5° |
| O4 | C4 | C5 | H9 | 120.2° | 120.2° |
| O4 | C4 | C5 | O5 | 170.7° | 177.5° |
| O4 | C4 | C5 | C6 | 72.6° | 62.5° |
| O4 | C4 | C3 | H8 | 52.0° | 57.0° |
| O4 | C4 | C5 | H5 | 47.2° | 57.6° |
| C41 | C51 | C61 | H51 | 123.2° | 122.9° |
| C51 | C41 | O41 | H41 | 122.3° | 123.6° |
| C41 | C51 | C61 | O61 | 176.6° | 175.0° |
| C51 | C41 | C31 | H31 | 92.5° | 97.8° |
| C41 | C51 | C61 | H612 | 63.7° | 55.0° |
| C41 | C51 | C61 | H611 | 56.9° | 65.0° |
| C51 | C41 | O41 | H4 | 64.5° | 67.3° |
| C61 | C51 | C41 | O41 | 118.8° | 86.3° |
| C51 | C61 | O61 | H612 | 119.7° | 120.0° |
| C51 | C61 | O61 | H611 | 119.7° | 120.0° |
| C61 | C51 | C41 | H41 | 4.3° | 37.3° |
| C51 | C61 | H612 | H611 | 120.9° | 120.0° |
| C51 | C61 | O61 | H61 | 180.0° | 180.0° |
| O41 | C41 | C31 | H31 | 26.1° | 20.3° |
| O41 | C41 | C51 | H51 | 4.5° | 36.6° |
| C4 | C5 | O5 | C1 | 56.4° | 61.1° |
| C4 | C5 | O5 | C6 | 118.7° | 120.0° |
| C4 | C5 | O5 | H5 | 122.7° | 119.9° |
| C4 | C5 | C6 | H5 | 119.7° | 120.0° |
| C4 | C5 | C6 | O6 | 68.8° | 178.6° |
| C5 | C4 | C3 | H8 | 69.9° | 62.9° |
| C4 | C5 | C6 | H61A | 171.2° | 58.6° |
| C4 | C5 | C6 | H62 | 51.1° | 61.4° |
| C5 | C4 | O4 | HO4 | 57.9° | 179.7° |
| C1 | O5 | C5 | C6 | 175.1° | 178.9° |
| O5 | C1 | C2 | H7 | 65.4° | 62.2° |
| C1 | O5 | C5 | H5 | 66.3° | 58.8° |
| O40 | C40 | C50 | H40 | 123.9° | 124.1° |
| O40 | C40 | C50 | O20 | 151.2° | 154.4° |
| O40 | C40 | C50 | C60 | 86.0° | 86.7° |
| O40 | C40 | C30 | H30 | 39.9° | 33.8° |
| O40 | C40 | C50 | H50 | 34.0° | 35.4° |
| C40 | C50 | O20 | C60 | 122.4° | 118.9° |
| C40 | C50 | O20 | H50 | 116.4° | 118.9° |
| C40 | C50 | C60 | H50 | 120.1° | 122.1° |
| C40 | C50 | C60 | O60 | 158.2° | 173.2° |
| C50 | C40 | C30 | H30 | 79.4° | 84.1° |
| C40 | C50 | C60 | H601 | 81.6° | 53.1° |
| C40 | C50 | C60 | H602 | 37.9° | 66.9° |
| C50 | C40 | O40 | H2 | 66.2° | 68.4° |
| O61 | C61 | C51 | H51 | 60.2° | 52.1° |
| O61 | C61 | H612 | H611 | 121.0° | 120.0° |
| O20 | C50 | C60 | H50 | 121.8° | 122.2° |
| O20 | C50 | C60 | O60 | 40.1° | 71.1° |
| O20 | C50 | C40 | H40 | 84.9° | 81.5° |
| O20 | C50 | C60 | H601 | 160.3° | 168.8° |
| O20 | C50 | C60 | H602 | 80.1° | 48.8° |
| O5 | C5 | C6 | H5 | 119.5° | 120.1° |
| O5 | C5 | C6 | O6 | 52.0° | 61.5° |
| C5 | O5 | C1 | H1 | 177.2° | 178.8° |
| O5 | C5 | C4 | H9 | 69.0° | 62.3° |
| O5 | C5 | C6 | H61A | 67.9° | 178.5° |
| O5 | C5 | C6 | H62 | 171.9° | 58.5° |
| C5 | C6 | O6 | H61A | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 119.9° | 120.0° |
| C6 | C5 | C4 | H9 | 47.7° | 57.7° |
| C5 | C6 | H61A | H62 | 120.2° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C50 | C60 | O60 | H601 | 120.2° | 120.0° |
| C50 | C60 | O60 | H602 | 120.2° | 120.0° |
| C60 | C50 | C40 | H40 | 38.0° | 37.4° |
| C50 | C60 | H601 | H602 | 119.3° | 120.0° |
| C50 | C60 | O60 | H60 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 171.5° | 58.6° |
| O6 | C6 | H61A | H62 | 120.1° | 120.0° |
| O60 | C60 | C50 | H50 | 81.7° | 51.1° |
| O60 | C60 | H601 | H602 | 119.4° | 120.0° |
| H1 | C1 | C2 | H7 | 54.8° | 57.7° |
| H112 | C11 | O11 | H11 | 60.8° | 60.0° |
| H111 | C11 | O11 | H11 | 60.9° | 60.0° |
| H7 | C2 | C3 | H8 | 173.0° | 177.2° |
| H7 | C2 | O2 | HO2 | 60.9° | 60.2° |
| H8 | C3 | C4 | H9 | 171.2° | 177.3° |
| H8 | C3 | O3 | HO3 | 60.7° | 60.2° |
| H30 | C30 | C40 | H40 | 163.6° | 157.9° |
| H30 | C30 | O30 | H3 | 56.1° | 56.4° |
| H31 | C31 | C41 | H41 | 149.0° | 143.9° |
| H31 | C31 | O31 | H6 | 58.5° | 57.5° |
| H9 | C4 | C5 | H5 | 167.5° | 177.8° |
| H9 | C4 | O4 | HO4 | 61.6° | 60.2° |
| H40 | C40 | C50 | H50 | 157.9° | 159.5° |
| H40 | C40 | O40 | H2 | 57.0° | 55.8° |
| H41 | C41 | C51 | H51 | 127.6° | 160.1° |
| H41 | C41 | O41 | H4 | 57.8° | 56.3° |
| H5 | C5 | C6 | H61A | 51.5° | 61.4° |
| H5 | C5 | C6 | H62 | 68.6° | 178.6° |
| H50 | C50 | C60 | H601 | 38.5° | 69.0° |
| H50 | C50 | C60 | H602 | 158.0° | 171.0° |
| H51 | C51 | C61 | H612 | 59.5° | 67.9° |
| H51 | C51 | C61 | H611 | 179.9° | 172.1° |
| H61A | C6 | O6 | HO6 | 60.1° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.1° | 60.0° |
| H601 | C60 | O60 | H60 | 59.8° | 60.0° |
| H602 | C60 | O60 | H60 | 59.7° | 60.1° |
| H612 | C61 | O61 | H61 | 60.3° | 60.0° |
| H611 | C61 | O61 | H61 | 60.3° | 60.0° |
