S80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | N3 | sing | 1.33Å | 1.36Å | |
| C10 | C5 | sing | 1.51Å | 1.51Å | |
| N3 | C9 | sing | 1.47Å | 1.46Å | |
| N3 | C18 | sing | 1.46Å | 1.48Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C8 | C7 | sing | 1.52Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C7 | C6 | sing | 1.52Å | 1.49Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C6 | C5 | sing | 1.53Å | 1.48Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C5 | N2 | sing | 1.47Å | 1.46Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| N2 | C4 | sing | 1.35Å | 1.36Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C4 | C3 | sing | 1.51Å | 1.47Å | |
| C4 | O3 | doub | 1.21Å | 1.20Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C3 | C14 | sing | 1.53Å | 1.47Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C2 | C11 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | O2 | sing | 1.42Å | 1.39Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | O5 | sing | 1.43Å | 1.43Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C14 | C15 | sing | 1.53Å | 1.44Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C17 | sing | 1.53Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.11Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.12Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | O6 | sing | 1.43Å | 1.42Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| O6 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C10 | N3 | 122.8° | 119.9° |
| O4 | C10 | C5 | 117.1° | 119.8° |
| N3 | C10 | C5 | 119.2° | 120.3° |
| C10 | N3 | C9 | 125.3° | 120.4° |
| C10 | N3 | C18 | 120.7° | 119.9° |
| C10 | C5 | C6 | 119.3° | 108.7° |
| C10 | C5 | N2 | 113.3° | 109.8° |
| C10 | C5 | H5 | 101.7° | 109.5° |
| C9 | N3 | C18 | 113.8° | 119.7° |
| N3 | C9 | C8 | 113.5° | 108.7° |
| N3 | C9 | H91 | 110.7° | 109.6° |
| N3 | C9 | H92 | 110.8° | 109.6° |
| N3 | C18 | C19 | 114.4° | 109.5° |
| N3 | C18 | H181 | 110.4° | 109.5° |
| N3 | C18 | H182 | 110.4° | 109.5° |
| C8 | C9 | H91 | 110.8° | 109.6° |
| C8 | C9 | H92 | 110.7° | 109.6° |
| C9 | C8 | C7 | 113.3° | 110.9° |
| C9 | C8 | H81 | 110.8° | 109.1° |
| C9 | C8 | H82 | 110.8° | 109.2° |
| H91 | C9 | H92 | 99.5° | 109.7° |
| C7 | C8 | H81 | 110.8° | 109.3° |
| C7 | C8 | H82 | 110.8° | 109.2° |
| C8 | C7 | C6 | 117.8° | 113.8° |
| C8 | C7 | H71 | 109.2° | 108.6° |
| C8 | C7 | H72 | 109.2° | 108.7° |
| H81 | C8 | H82 | 99.6° | 109.2° |
| C6 | C7 | H71 | 109.2° | 108.6° |
| C6 | C7 | H72 | 109.2° | 108.6° |
| C7 | C6 | C5 | 121.6° | 110.7° |
| C7 | C6 | H61 | 107.9° | 109.3° |
| C7 | C6 | H62 | 107.9° | 109.2° |
| H71 | C7 | H72 | 100.9° | 108.4° |
| C5 | C6 | H61 | 107.9° | 109.2° |
| C5 | C6 | H62 | 107.8° | 109.2° |
| C6 | C5 | N2 | 117.1° | 109.7° |
| C6 | C5 | H5 | 95.6° | 109.6° |
| H61 | C6 | H62 | 102.0° | 109.2° |
| N2 | C5 | H5 | 105.2° | 109.6° |
| C5 | N2 | C4 | 126.7° | 120.0° |
| C5 | N2 | HN2 | 120.8° | 119.9° |
| C4 | N2 | HN2 | 112.5° | 120.0° |
| N2 | C4 | C3 | 122.6° | 120.0° |
| N2 | C4 | O3 | 124.5° | 120.0° |
| C3 | C4 | O3 | 112.8° | 120.0° |
| C4 | C3 | C2 | 115.5° | 109.5° |
| C4 | C3 | C14 | 118.7° | 109.4° |
| C4 | C3 | H3 | 103.2° | 109.5° |
| C2 | C3 | C14 | 120.8° | 109.4° |
| C2 | C3 | H3 | 98.4° | 109.5° |
| C3 | C2 | C1 | 113.8° | 109.5° |
| C3 | C2 | C11 | 127.4° | 109.4° |
| C3 | C2 | H2 | 87.3° | 109.5° |
| C14 | C3 | H3 | 91.0° | 109.5° |
| C3 | C14 | C15 | 130.9° | 109.5° |
| C3 | C14 | H141 | 104.8° | 109.5° |
| C3 | C14 | H142 | 104.8° | 109.5° |
| C1 | C2 | C11 | 117.3° | 109.5° |
| C1 | C2 | H2 | 124.3° | 109.5° |
| C2 | C1 | O1 | 116.4° | 120.0° |
| C2 | C1 | N1 | 124.1° | 120.0° |
| C11 | C2 | H2 | 74.1° | 109.5° |
| C2 | C11 | C12 | 107.5° | 109.5° |
| C2 | C11 | H111 | 112.9° | 109.4° |
| C2 | C11 | H112 | 112.9° | 109.4° |
| O1 | C1 | N1 | 119.6° | 120.0° |
| C1 | N1 | O2 | 115.7° | 120.0° |
| C1 | N1 | HN1 | 120.5° | 120.0° |
| O2 | N1 | HN1 | 123.8° | 120.1° |
| N1 | O2 | HO2 | 115.7° | 106.7° |
| C12 | C11 | H111 | 112.9° | 109.5° |
| C12 | C11 | H112 | 112.9° | 109.5° |
| C11 | C12 | C13 | 111.8° | 109.4° |
| C11 | C12 | H121 | 111.3° | 109.5° |
| C11 | C12 | H122 | 111.3° | 109.5° |
| H111 | C11 | H112 | 97.5° | 109.5° |
| C13 | C12 | H121 | 111.3° | 109.5° |
| C13 | C12 | H122 | 111.3° | 109.5° |
| C12 | C13 | O5 | 109.0° | 109.5° |
| C12 | C13 | H131 | 112.4° | 109.5° |
| C12 | C13 | H132 | 112.4° | 109.5° |
| H121 | C12 | H122 | 99.1° | 109.5° |
| O5 | C13 | H131 | 112.3° | 109.4° |
| O5 | C13 | H132 | 112.3° | 109.5° |
| C13 | O5 | HO5 | 109.0° | 106.8° |
| H131 | C13 | H132 | 98.1° | 109.5° |
| C15 | C14 | H141 | 104.8° | 109.5° |
| C15 | C14 | H142 | 104.8° | 109.4° |
| C14 | C15 | C17 | 122.6° | 109.5° |
| C14 | C15 | C16 | 120.4° | 109.5° |
| C14 | C15 | H15 | 83.6° | 109.5° |
| H141 | C14 | H142 | 104.2° | 109.5° |
| C17 | C15 | C16 | 112.0° | 109.5° |
| C17 | C15 | H15 | 102.4° | 109.5° |
| C15 | C17 | H171 | 122.6° | 109.5° |
| C15 | C17 | H172 | 107.5° | 109.4° |
| C15 | C17 | H173 | 107.5° | 109.5° |
| C16 | C15 | H15 | 107.3° | 109.5° |
| C15 | C16 | H161 | 120.4° | 109.4° |
| C15 | C16 | H162 | 108.3° | 109.4° |
| C15 | C16 | H163 | 108.3° | 109.5° |
| H171 | C17 | H172 | 107.6° | 109.5° |
| H171 | C17 | H173 | 107.6° | 109.5° |
| H172 | C17 | H173 | 102.2° | 109.5° |
| H161 | C16 | H162 | 108.3° | 109.4° |
| H161 | C16 | H163 | 108.3° | 109.5° |
| H162 | C16 | H163 | 101.5° | 109.5° |
| C19 | C18 | H181 | 110.4° | 109.5° |
| C19 | C18 | H182 | 110.4° | 109.4° |
| C18 | C19 | O6 | 111.3° | 109.5° |
| C18 | C19 | H191 | 111.5° | 109.5° |
| C18 | C19 | H192 | 111.6° | 109.5° |
| H181 | C18 | H182 | 99.9° | 109.5° |
| O6 | C19 | H191 | 111.6° | 109.4° |
| O6 | C19 | H192 | 111.5° | 109.5° |
| C19 | O6 | C20 | 110.2° | 106.8° |
| H191 | C19 | H192 | 98.8° | 109.4° |
| O6 | C20 | H201 | 110.2° | 109.5° |
| O6 | C20 | H202 | 112.0° | 109.5° |
| O6 | C20 | H203 | 111.9° | 109.5° |
| H201 | C20 | H202 | 111.9° | 109.4° |
| H201 | C20 | H203 | 111.9° | 109.4° |
| H202 | C20 | H203 | 98.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C10 | N3 | C5 | 168.6° | 179.6° |
| O4 | C10 | N3 | C9 | 169.1° | 179.6° |
| O4 | C10 | N3 | C18 | 15.8° | 0.1° |
| O4 | C10 | C5 | C6 | 127.0° | 108.8° |
| O4 | C10 | C5 | N2 | 17.2° | 11.1° |
| O4 | C10 | C5 | H5 | 129.6° | 131.5° |
| C10 | N3 | C9 | C18 | 175.4° | 179.7° |
| C10 | N3 | C9 | C8 | 76.9° | 72.2° |
| C10 | N3 | C9 | H91 | 157.8° | 168.0° |
| C10 | N3 | C9 | H92 | 48.3° | 47.5° |
| N3 | C10 | C5 | C6 | 42.2° | 70.8° |
| N3 | C10 | C5 | N2 | 173.5° | 169.2° |
| N3 | C10 | C5 | H5 | 61.1° | 48.9° |
| C10 | N3 | C18 | C19 | 84.5° | 90.3° |
| C10 | N3 | C18 | H181 | 150.3° | 149.7° |
| C10 | N3 | C18 | H182 | 40.7° | 29.7° |
| C5 | C10 | N3 | C9 | 22.3° | 0.8° |
| C5 | C10 | N3 | C18 | 152.8° | 179.5° |
| C10 | C5 | C6 | C7 | 68.1° | 84.8° |
| C10 | C5 | C6 | N2 | 142.9° | 120.0° |
| C10 | C5 | C6 | H5 | 106.8° | 119.6° |
| C10 | C5 | C6 | H61 | 57.1° | 35.5° |
| C10 | C5 | C6 | H62 | 166.7° | 154.9° |
| C10 | C5 | N2 | H5 | 110.3° | 120.3° |
| C10 | C5 | N2 | C4 | 102.6° | 89.4° |
| C10 | C5 | N2 | HN2 | 77.3° | 90.6° |
| N3 | C9 | C8 | H91 | 125.3° | 119.8° |
| N3 | C9 | C8 | H92 | 125.3° | 119.8° |
| N3 | C9 | H91 | H92 | 116.6° | 120.4° |
| N3 | C9 | C8 | C7 | 74.6° | 86.4° |
| N3 | C9 | C8 | H81 | 50.7° | 33.9° |
| N3 | C9 | C8 | H82 | 160.2° | 153.2° |
| C9 | N3 | C18 | C19 | 99.9° | 90.0° |
| C9 | N3 | C18 | H181 | 25.4° | 30.0° |
| C9 | N3 | C18 | H182 | 134.9° | 150.0° |
| C18 | N3 | C9 | C8 | 98.4° | 108.1° |
| C18 | N3 | C9 | H91 | 26.9° | 11.7° |
| C18 | N3 | C9 | H92 | 136.3° | 132.2° |
| N3 | C18 | C19 | H181 | 125.2° | 120.0° |
| N3 | C18 | C19 | H182 | 125.2° | 120.0° |
| N3 | C18 | H181 | H182 | 116.2° | 120.0° |
| N3 | C18 | C19 | O6 | 62.5° | 59.9° |
| N3 | C18 | C19 | H191 | 172.2° | 60.0° |
| N3 | C18 | C19 | H192 | 62.8° | 180.0° |
| C8 | C9 | H91 | H92 | 116.6° | 120.3° |
| C9 | C8 | C7 | H81 | 125.2° | 120.3° |
| C9 | C8 | C7 | H82 | 125.2° | 120.4° |
| C9 | C8 | H81 | H82 | 116.7° | 119.3° |
| C9 | C8 | C7 | C6 | 54.6° | 67.0° |
| C9 | C8 | C7 | H71 | 180.0° | 171.9° |
| C9 | C8 | C7 | H72 | 70.6° | 54.2° |
| H91 | C9 | C8 | C7 | 160.1° | 153.7° |
| H91 | C9 | C8 | H81 | 74.6° | 85.9° |
| H91 | C9 | C8 | H82 | 34.9° | 33.3° |
| H92 | C9 | C8 | C7 | 50.7° | 33.3° |
| H92 | C9 | C8 | H81 | 175.9° | 153.7° |
| H92 | C9 | C8 | H82 | 74.5° | 87.0° |
| C7 | C8 | H81 | H82 | 116.7° | 119.4° |
| C8 | C7 | C6 | H71 | 125.3° | 121.1° |
| C8 | C7 | C6 | H72 | 125.2° | 121.2° |
| C8 | C7 | H71 | H72 | 114.9° | 117.9° |
| C8 | C7 | C6 | C5 | 56.7° | 66.9° |
| C8 | C7 | C6 | H61 | 68.6° | 53.4° |
| C8 | C7 | C6 | H62 | 178.1° | 172.9° |
| H81 | C8 | C7 | C6 | 70.6° | 53.3° |
| H81 | C8 | C7 | H71 | 54.7° | 67.8° |
| H81 | C8 | C7 | H72 | 164.2° | 174.4° |
| H82 | C8 | C7 | C6 | 179.8° | 172.6° |
| H82 | C8 | C7 | H71 | 54.9° | 51.6° |
| H82 | C8 | C7 | H72 | 54.6° | 66.2° |
| C6 | C7 | H71 | H72 | 114.9° | 117.8° |
| C7 | C6 | C5 | H61 | 125.3° | 120.3° |
| C7 | C6 | C5 | H62 | 125.2° | 120.3° |
| C7 | C6 | H61 | H62 | 113.5° | 119.4° |
| C7 | C6 | C5 | N2 | 148.9° | 155.1° |
| C7 | C6 | C5 | H5 | 38.7° | 34.8° |
| H71 | C7 | C6 | C5 | 178.0° | 172.1° |
| H71 | C7 | C6 | H61 | 56.7° | 67.6° |
| H71 | C7 | C6 | H62 | 52.8° | 51.8° |
| H72 | C7 | C6 | C5 | 68.6° | 54.4° |
| H72 | C7 | C6 | H61 | 166.2° | 174.7° |
| H72 | C7 | C6 | H62 | 56.7° | 65.9° |
| C5 | C6 | H61 | H62 | 113.4° | 119.3° |
| C6 | C5 | N2 | H5 | 104.6° | 120.4° |
| C6 | C5 | N2 | C4 | 112.3° | 151.3° |
| C6 | C5 | N2 | HN2 | 67.8° | 28.8° |
| H61 | C6 | C5 | N2 | 85.8° | 84.5° |
| H61 | C6 | C5 | H5 | 164.0° | 155.1° |
| H62 | C6 | C5 | N2 | 23.7° | 34.8° |
| H62 | C6 | C5 | H5 | 86.5° | 85.5° |
| C5 | N2 | C4 | HN2 | 180.0° | 180.0° |
| C5 | N2 | C4 | C3 | 169.5° | 177.7° |
| C5 | N2 | C4 | O3 | 7.2° | 2.3° |
| H5 | C5 | N2 | C4 | 7.7° | 30.9° |
| H5 | C5 | N2 | HN2 | 172.4° | 149.1° |
| N2 | C4 | C3 | O3 | 177.0° | 179.9° |
| N2 | C4 | C3 | C2 | 110.6° | 139.7° |
| N2 | C4 | C3 | C14 | 94.1° | 100.3° |
| N2 | C4 | C3 | H3 | 4.5° | 19.6° |
| HN2 | N2 | C4 | C3 | 10.5° | 2.4° |
| HN2 | N2 | C4 | O3 | 172.9° | 177.7° |
| C4 | C3 | C2 | C14 | 154.8° | 119.9° |
| C4 | C3 | C2 | H3 | 109.0° | 120.1° |
| C4 | C3 | C14 | H3 | 105.6° | 120.0° |
| C4 | C3 | C2 | C1 | 172.4° | 180.0° |
| C4 | C3 | C2 | C11 | 6.5° | 60.1° |
| C4 | C3 | C2 | H2 | 61.1° | 59.9° |
| C4 | C3 | C14 | C15 | 67.4° | 120.9° |
| C4 | C3 | C14 | H141 | 167.3° | 119.2° |
| C4 | C3 | C14 | H142 | 57.9° | 0.9° |
| O3 | C4 | C3 | C2 | 72.4° | 40.2° |
| O3 | C4 | C3 | C14 | 82.9° | 79.7° |
| O3 | C4 | C3 | H3 | 178.5° | 160.3° |
| C2 | C3 | C14 | H3 | 100.4° | 120.0° |
| C3 | C2 | C1 | C11 | 167.4° | 119.9° |
| C3 | C2 | C1 | H2 | 103.9° | 120.1° |
| C3 | C2 | C11 | H2 | 73.8° | 120.0° |
| C3 | C2 | C1 | O1 | 69.9° | 32.1° |
| C3 | C2 | C1 | N1 | 110.7° | 147.9° |
| C3 | C2 | C11 | C12 | 84.8° | 56.3° |
| C3 | C2 | C11 | H111 | 40.5° | 63.7° |
| C3 | C2 | C11 | H112 | 149.9° | 176.3° |
| C2 | C3 | C14 | C15 | 138.6° | 119.1° |
| C2 | C3 | C14 | H141 | 13.3° | 0.8° |
| C2 | C3 | C14 | H142 | 96.1° | 120.9° |
| C14 | C3 | C2 | C1 | 32.8° | 60.1° |
| C14 | C3 | C2 | C11 | 161.3° | 180.0° |
| C14 | C3 | C2 | H2 | 93.7° | 60.0° |
| C3 | C14 | C15 | H141 | 125.3° | 120.0° |
| C3 | C14 | C15 | H142 | 125.3° | 120.0° |
| C3 | C14 | H141 | H142 | 109.8° | 120.1° |
| C3 | C14 | C15 | C17 | 51.0° | 176.9° |
| C3 | C14 | C15 | C16 | 156.0° | 63.1° |
| C3 | C14 | C15 | H15 | 49.7° | 56.9° |
| H3 | C3 | C2 | C1 | 63.4° | 59.9° |
| H3 | C3 | C2 | C11 | 102.4° | 60.0° |
| H3 | C3 | C2 | H2 | 170.1° | NaN° |
| H3 | C3 | C14 | C15 | 38.2° | 0.9° |
| H3 | C3 | C14 | H141 | 87.1° | 120.9° |
| H3 | C3 | C14 | H142 | 163.5° | 119.1° |
| C1 | C2 | C11 | H2 | 120.8° | 120.0° |
| C2 | C1 | O1 | N1 | 179.4° | 180.0° |
| C2 | C1 | N1 | O2 | 176.7° | 175.3° |
| C2 | C1 | N1 | HN1 | 3.3° | 4.7° |
| C1 | C2 | C11 | C12 | 80.6° | 63.6° |
| C1 | C2 | C11 | H111 | 154.1° | 176.4° |
| C1 | C2 | C11 | H112 | 44.7° | 56.4° |
| C11 | C2 | C1 | O1 | 97.5° | 87.8° |
| C11 | C2 | C1 | N1 | 82.0° | 92.2° |
| C2 | C11 | C12 | H111 | 125.3° | 120.0° |
| C2 | C11 | C12 | H112 | 125.3° | 120.0° |
| C2 | C11 | H111 | H112 | 118.9° | 119.9° |
| C2 | C11 | C12 | C13 | 167.9° | 175.4° |
| C2 | C11 | C12 | H121 | 42.7° | 55.4° |
| C2 | C11 | C12 | H122 | 66.8° | 64.6° |
| H2 | C2 | C1 | O1 | 173.7° | 152.2° |
| H2 | C2 | C1 | N1 | 6.8° | 27.8° |
| H2 | C2 | C11 | C12 | 158.6° | 176.3° |
| H2 | C2 | C11 | H111 | 33.3° | 56.3° |
| H2 | C2 | C11 | H112 | 76.1° | 63.7° |
| O1 | C1 | N1 | O2 | 3.9° | 4.7° |
| O1 | C1 | N1 | HN1 | 176.1° | 175.3° |
| C1 | N1 | O2 | HN1 | 180.0° | 180.0° |
| C1 | N1 | O2 | HO2 | 180.0° | 180.0° |
| HN1 | N1 | O2 | HO2 | 0.0° | 0.0° |
| C12 | C11 | H111 | H112 | 118.9° | 120.0° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 117.2° | 120.0° |
| C11 | C12 | C13 | O5 | 67.9° | 180.0° |
| C11 | C12 | C13 | H131 | 166.9° | 60.0° |
| C11 | C12 | C13 | H132 | 57.3° | 60.0° |
| H111 | C11 | C12 | C13 | 66.8° | 64.6° |
| H111 | C11 | C12 | H121 | 167.9° | 175.4° |
| H111 | C11 | C12 | H122 | 58.5° | 55.4° |
| H112 | C11 | C12 | C13 | 42.7° | 55.4° |
| H112 | C11 | C12 | H121 | 82.6° | 64.6° |
| H112 | C11 | C12 | H122 | 167.9° | 175.4° |
| C13 | C12 | H121 | H122 | 117.3° | 120.0° |
| C12 | C13 | O5 | H131 | 125.3° | 120.0° |
| C12 | C13 | O5 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H132 | 118.4° | 120.1° |
| C12 | C13 | O5 | HO5 | 180.0° | 180.0° |
| H121 | C12 | C13 | O5 | 57.3° | 60.0° |
| H121 | C12 | C13 | H131 | 67.9° | 179.9° |
| H121 | C12 | C13 | H132 | 177.5° | 60.0° |
| H122 | C12 | C13 | O5 | 166.9° | 60.0° |
| H122 | C12 | C13 | H131 | 41.6° | 59.9° |
| H122 | C12 | C13 | H132 | 67.9° | 180.0° |
| O5 | C13 | H131 | H132 | 118.2° | 120.0° |
| H131 | C13 | O5 | HO5 | 54.8° | 60.0° |
| H132 | C13 | O5 | HO5 | 54.7° | 60.0° |
| C15 | C14 | H141 | H142 | 109.8° | 119.9° |
| C14 | C15 | C17 | C16 | 155.0° | 120.0° |
| C14 | C15 | C17 | H15 | 90.3° | 120.0° |
| C14 | C15 | C16 | H15 | 92.7° | 120.0° |
| C14 | C15 | C17 | H171 | 180.0° | 180.0° |
| C14 | C15 | C17 | H172 | 54.7° | 60.0° |
| C14 | C15 | C17 | H173 | 54.7° | 60.0° |
| C14 | C15 | C16 | H161 | 180.0° | 62.7° |
| C14 | C15 | C16 | H162 | 54.7° | 57.3° |
| C14 | C15 | C16 | H163 | 54.7° | 177.3° |
| H141 | C14 | C15 | C17 | 74.3° | 56.9° |
| H141 | C14 | C15 | C16 | 78.7° | 176.9° |
| H141 | C14 | C15 | H15 | 175.0° | 63.1° |
| H142 | C14 | C15 | C17 | 176.3° | 63.1° |
| H142 | C14 | C15 | C16 | 30.7° | 56.9° |
| H142 | C14 | C15 | H15 | 75.7° | 176.9° |
| C17 | C15 | C16 | H15 | 111.7° | 120.0° |
| C15 | C17 | H171 | H172 | 125.3° | 120.0° |
| C15 | C17 | H171 | H173 | 125.2° | 120.0° |
| C15 | C17 | H172 | H173 | 113.0° | 120.0° |
| C17 | C15 | C16 | H161 | 24.3° | 57.4° |
| C17 | C15 | C16 | H162 | 101.0° | 177.3° |
| C17 | C15 | C16 | H163 | 149.7° | 62.6° |
| C16 | C15 | C17 | H171 | 25.0° | 60.0° |
| C16 | C15 | C17 | H172 | 150.3° | 180.0° |
| C16 | C15 | C17 | H173 | 100.3° | 60.0° |
| C15 | C16 | H161 | H162 | 125.3° | 119.9° |
| C15 | C16 | H161 | H163 | 125.3° | 120.1° |
| C15 | C16 | H162 | H163 | 113.9° | 120.1° |
| H15 | C15 | C17 | H171 | 89.7° | 60.0° |
| H15 | C15 | C17 | H172 | 35.6° | 60.0° |
| H15 | C15 | C17 | H173 | 145.0° | 180.0° |
| H15 | C15 | C16 | H161 | 87.3° | 177.3° |
| H15 | C15 | C16 | H162 | 147.4° | 62.7° |
| H15 | C15 | C16 | H163 | 38.0° | 57.3° |
| H171 | C17 | H172 | H173 | 113.1° | 120.0° |
| H161 | C16 | H162 | H163 | 113.9° | 120.0° |
| C19 | C18 | H181 | H182 | 116.3° | 120.0° |
| C18 | C19 | O6 | H191 | 125.3° | 120.0° |
| C18 | C19 | O6 | H192 | 125.3° | 120.1° |
| C18 | C19 | H191 | H192 | 117.5° | 120.0° |
| C18 | C19 | O6 | C20 | 176.7° | 180.0° |
| H181 | C18 | C19 | O6 | 62.8° | 180.0° |
| H181 | C18 | C19 | H191 | 62.5° | 60.0° |
| H181 | C18 | C19 | H192 | 172.0° | 60.0° |
| H182 | C18 | C19 | O6 | 172.3° | 60.0° |
| H182 | C18 | C19 | H191 | 47.0° | 180.0° |
| H182 | C18 | C19 | H192 | 62.5° | 60.0° |
| O6 | C19 | H191 | H192 | 117.4° | 120.0° |
| C19 | O6 | C20 | H201 | 180.0° | 180.0° |
| C19 | O6 | C20 | H202 | 54.7° | 60.0° |
| C19 | O6 | C20 | H203 | 54.7° | 60.0° |
| H191 | C19 | O6 | C20 | 58.0° | 60.0° |
| H192 | C19 | O6 | C20 | 51.5° | 60.0° |
| O6 | C20 | H201 | H202 | 125.3° | 120.0° |
| O6 | C20 | H201 | H203 | 125.2° | 120.0° |
| O6 | C20 | H202 | H203 | 117.9° | 120.1° |
| H201 | C20 | H202 | H203 | 117.8° | 120.0° |
