AQ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C02 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | doub | 1.34Å | 1.34Å | Aromatic |
| C04 | N02 | sing | 1.37Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.46Å | 1.44Å | Aromatic |
| C06 | C07 | doub | 1.41Å | 1.41Å | Aromatic |
| C06 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C11 | sing | 1.48Å | 1.50Å | |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | N01 | sing | 1.32Å | 1.34Å | Aromatic |
| N01 | C10 | doub | 1.33Å | 1.34Å | Aromatic |
| C10 | N02 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | S01 | sing | 1.76Å | 1.76Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| S01 | O01 | doub | 1.42Å | 1.43Å | |
| S01 | O02 | doub | 1.42Å | 1.43Å | |
| S01 | N1 | sing | 1.66Å | 1.61Å | |
| N1 | C17 | sing | 1.46Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C1 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | S | sing | 1.82Å | 1.76Å | |
| S | O03 | doub | 1.42Å | 1.44Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| S | C20 | sing | 1.82Å | 1.76Å | |
| C20 | C1 | sing | 1.53Å | 1.52Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| N02 | HA | sing | 0.97Å | 1.00Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 111.9° | 109.5° |
| C01 | C02 | C04 | 111.9° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H02 | 107.4° | 109.5° |
| C03 | C02 | C04 | 110.6° | 109.4° |
| C03 | C02 | H02 | 107.4° | 109.4° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C04 | C05 | 128.1° | 125.1° |
| C02 | C04 | N02 | 121.2° | 125.0° |
| C04 | C02 | H02 | 107.3° | 109.5° |
| C05 | C04 | N02 | 110.8° | 109.9° |
| C04 | C05 | C06 | 106.8° | 106.9° |
| C04 | C05 | H05 | 126.6° | 126.6° |
| C04 | N02 | C10 | 107.8° | 110.0° |
| C04 | N02 | HA | 126.1° | 125.0° |
| C05 | C06 | C07 | 137.9° | 134.3° |
| C05 | C06 | C10 | 106.0° | 106.3° |
| C06 | C05 | H05 | 126.6° | 126.6° |
| C07 | C06 | C10 | 116.1° | 119.4° |
| C06 | C07 | C08 | 119.8° | 117.8° |
| C06 | C07 | C11 | 122.8° | 121.1° |
| C06 | C10 | N01 | 125.0° | 119.9° |
| C06 | C10 | N02 | 108.6° | 107.0° |
| C08 | C07 | C11 | 117.4° | 121.1° |
| C07 | C08 | C09 | 118.3° | 119.2° |
| C07 | C08 | H08 | 120.8° | 120.4° |
| C07 | C11 | C12 | 121.5° | 120.1° |
| C07 | C11 | C16 | 120.7° | 120.1° |
| C08 | C09 | N01 | 124.0° | 121.7° |
| C09 | C08 | H08 | 120.8° | 120.4° |
| C08 | C09 | H09 | 118.0° | 119.1° |
| C09 | N01 | C10 | 116.7° | 122.0° |
| N01 | C09 | H09 | 118.0° | 119.1° |
| N01 | C10 | N02 | 126.4° | 133.2° |
| C10 | N02 | HA | 126.1° | 125.0° |
| C12 | C11 | C16 | 117.8° | 119.8° |
| C11 | C12 | C13 | 121.4° | 119.8° |
| C11 | C12 | H12 | 119.3° | 120.1° |
| C11 | C16 | C15 | 121.5° | 119.9° |
| C11 | C16 | H16 | 119.2° | 120.1° |
| C12 | C13 | C14 | 119.5° | 120.1° |
| C13 | C12 | H12 | 119.3° | 120.0° |
| C12 | C13 | H13 | 120.2° | 119.9° |
| C13 | C14 | C15 | 120.4° | 120.2° |
| C13 | C14 | S01 | 120.0° | 119.9° |
| C14 | C13 | H13 | 120.3° | 120.0° |
| C15 | C14 | S01 | 119.6° | 119.9° |
| C14 | C15 | C16 | 119.5° | 120.1° |
| C14 | C15 | H15 | 120.3° | 119.9° |
| C14 | S01 | O01 | 107.9° | 106.4° |
| C14 | S01 | O02 | 108.1° | 106.4° |
| C14 | S01 | N1 | 107.9° | 107.2° |
| C15 | C16 | H16 | 119.3° | 120.0° |
| C16 | C15 | H15 | 120.3° | 120.0° |
| O01 | S01 | O02 | 119.5° | 123.2° |
| O01 | S01 | N1 | 107.2° | 106.4° |
| O02 | S01 | N1 | 105.7° | 106.4° |
| S01 | N1 | C17 | 123.0° | 120.0° |
| S01 | N1 | H1 | 106.0° | 120.1° |
| N1 | C17 | C18 | 109.5° | 109.3° |
| N1 | C17 | C1 | 109.3° | 109.2° |
| C17 | N1 | H1 | 106.0° | 120.0° |
| N1 | C17 | H17 | 109.4° | 109.3° |
| C18 | C17 | C1 | 111.1° | 110.6° |
| C17 | C18 | C19 | 111.0° | 110.0° |
| C18 | C17 | H17 | 108.7° | 109.3° |
| C17 | C18 | H181 | 109.1° | 109.4° |
| C17 | C18 | H182 | 109.1° | 109.4° |
| C17 | C1 | C20 | 111.8° | 110.0° |
| C1 | C17 | H17 | 108.8° | 109.2° |
| C17 | C1 | H11C | 108.9° | 109.4° |
| C17 | C1 | H12C | 108.9° | 109.4° |
| C18 | C19 | S | 108.6° | 109.0° |
| C19 | C18 | H181 | 109.1° | 109.4° |
| C19 | C18 | H182 | 109.1° | 109.4° |
| C18 | C19 | H191 | 109.7° | 109.5° |
| C18 | C19 | H192 | 109.7° | 109.5° |
| C19 | S | O03 | 109.0° | 108.7° |
| C19 | S | O1 | 109.0° | 108.7° |
| C19 | S | C20 | 101.5° | 101.3° |
| S | C19 | H191 | 109.7° | 109.5° |
| S | C19 | H192 | 109.7° | 109.6° |
| O03 | S | O1 | 118.2° | 119.3° |
| O03 | S | C20 | 109.0° | 108.7° |
| O1 | S | C20 | 108.9° | 108.7° |
| S | C20 | C1 | 109.0° | 109.0° |
| S | C20 | H201 | 109.6° | 109.5° |
| S | C20 | H202 | 109.6° | 109.6° |
| C20 | C1 | H11C | 108.9° | 109.4° |
| C20 | C1 | H12C | 108.9° | 109.4° |
| C1 | C20 | H201 | 109.6° | 109.5° |
| C1 | C20 | H202 | 109.6° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.5° | 109.4° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.4° | 109.3° |
| H11C | C1 | H12C | 109.5° | 109.3° |
| H191 | C19 | H192 | 109.5° | 109.7° |
| H201 | C20 | H202 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 125.6° | 120.0° |
| C01 | C02 | C03 | H02 | 117.6° | 120.0° |
| C01 | C02 | C04 | H02 | 117.6° | 120.1° |
| C01 | C02 | C04 | C05 | 4.8° | 145.0° |
| C01 | C02 | C04 | N02 | 175.5° | 35.3° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 180.0° | 60.0° |
| C01 | C02 | C03 | H032 | 60.0° | 180.0° |
| C01 | C02 | C03 | H033 | 60.0° | 60.0° |
| C03 | C02 | C04 | H02 | 116.8° | 119.9° |
| C03 | C02 | C04 | C05 | 120.8° | 95.0° |
| C03 | C02 | C04 | N02 | 58.9° | 84.7° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.1° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C02 | C04 | C05 | N02 | 179.7° | 179.8° |
| C02 | C04 | C05 | C06 | 179.9° | 180.0° |
| C02 | C04 | N02 | C10 | 180.0° | 179.8° |
| C04 | C02 | C01 | H011 | 55.2° | 180.0° |
| C04 | C02 | C01 | H012 | 64.9° | 60.0° |
| C04 | C02 | C01 | H013 | 175.2° | 60.0° |
| C04 | C02 | C03 | H031 | 54.4° | 60.0° |
| C04 | C02 | C03 | H032 | 174.4° | 60.0° |
| C04 | C02 | C03 | H033 | 65.6° | 180.0° |
| C02 | C04 | C05 | H05 | 0.1° | 0.0° |
| C02 | C04 | N02 | HA | 0.0° | 0.0° |
| C04 | C05 | C06 | H05 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.6° | 180.0° |
| C04 | C05 | C06 | C10 | 0.0° | 0.0° |
| C05 | C04 | N02 | C10 | 0.3° | 0.5° |
| C05 | C04 | C02 | H02 | 122.4° | 24.9° |
| C05 | C04 | N02 | HA | 179.7° | 179.8° |
| N02 | C04 | C05 | C06 | 0.2° | 0.3° |
| C04 | N02 | C10 | C06 | 0.3° | 0.5° |
| C04 | N02 | C10 | N01 | 179.9° | 179.9° |
| C04 | N02 | C10 | HA | 180.0° | 179.7° |
| N02 | C04 | C02 | H02 | 57.9° | 155.3° |
| N02 | C04 | C05 | H05 | 179.8° | 179.8° |
| C05 | C06 | C07 | C10 | 179.6° | 180.0° |
| C05 | C06 | C07 | C08 | 180.0° | 180.0° |
| C05 | C06 | C07 | C11 | 0.2° | 0.1° |
| C05 | C06 | C10 | N01 | 180.0° | 180.0° |
| C05 | C06 | C10 | N02 | 0.1° | 0.3° |
| C06 | C07 | C08 | C11 | 179.8° | 179.9° |
| C06 | C07 | C08 | C09 | 0.3° | 0.0° |
| C07 | C06 | C10 | N01 | 0.3° | 0.0° |
| C07 | C06 | C10 | N02 | 179.6° | 179.7° |
| C06 | C07 | C11 | C12 | 34.5° | 130.0° |
| C06 | C07 | C11 | C16 | 147.8° | 50.2° |
| C07 | C06 | C05 | H05 | 0.3° | 0.1° |
| C06 | C07 | C08 | H08 | 179.7° | 180.0° |
| C10 | C06 | C07 | C08 | 0.4° | 0.0° |
| C10 | C06 | C07 | C11 | 179.8° | 179.9° |
| C06 | C10 | N01 | C09 | 0.0° | 0.1° |
| C06 | C10 | N01 | N02 | 179.9° | 179.5° |
| C10 | C06 | C05 | H05 | 180.0° | 179.9° |
| C06 | C10 | N02 | HA | 179.7° | 179.8° |
| C07 | C08 | C09 | H08 | 180.0° | 179.9° |
| C07 | C08 | C09 | N01 | 0.0° | 0.0° |
| C08 | C07 | C11 | C12 | 145.7° | 50.1° |
| C08 | C07 | C11 | C16 | 32.0° | 129.7° |
| C07 | C08 | C09 | H09 | 180.0° | 179.9° |
| C11 | C07 | C08 | C09 | 179.9° | 180.0° |
| C07 | C11 | C12 | C16 | 177.7° | 179.8° |
| C07 | C11 | C12 | C13 | 179.4° | 180.0° |
| C07 | C11 | C16 | C15 | 179.2° | 179.7° |
| C11 | C07 | C08 | H08 | 0.1° | 0.1° |
| C07 | C11 | C12 | H12 | 0.6° | 0.0° |
| C07 | C11 | C16 | H16 | 0.8° | 0.1° |
| C08 | C09 | N01 | H09 | 180.0° | 180.0° |
| C08 | C09 | N01 | C10 | 0.1° | 0.0° |
| C09 | N01 | C10 | N02 | 179.8° | 179.6° |
| N01 | C09 | C08 | H08 | 180.0° | 180.0° |
| N01 | C10 | N02 | HA | 0.1° | 0.2° |
| C10 | N01 | C09 | H09 | 179.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C12 | C11 | C16 | C15 | 1.4° | 0.6° |
| C12 | C11 | C16 | H16 | 178.6° | 179.7° |
| C11 | C12 | C13 | H13 | 179.2° | 180.0° |
| C16 | C11 | C12 | C13 | 1.6° | 0.3° |
| C11 | C16 | C15 | C14 | 0.3° | 0.6° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C16 | C11 | C12 | H12 | 178.3° | 179.8° |
| C11 | C16 | C15 | H15 | 179.7° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.1° |
| C12 | C13 | C14 | S01 | 179.1° | 180.0° |
| C13 | C14 | C15 | S01 | 178.7° | 179.9° |
| C13 | C14 | C15 | C16 | 0.7° | 0.4° |
| C13 | C14 | S01 | O01 | 10.8° | 156.4° |
| C13 | C14 | S01 | O02 | 141.3° | 23.5° |
| C13 | C14 | S01 | N1 | 104.7° | 90.0° |
| C14 | C13 | C12 | H12 | 179.2° | 180.0° |
| C13 | C14 | C15 | H15 | 179.3° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C15 | C14 | S01 | O01 | 167.9° | 23.5° |
| C15 | C14 | S01 | O02 | 37.4° | 156.4° |
| C15 | C14 | S01 | N1 | 76.6° | 90.1° |
| C14 | C15 | C16 | H16 | 179.7° | 179.7° |
| C15 | C14 | C13 | H13 | 179.6° | 180.0° |
| S01 | C14 | C15 | C16 | 179.4° | 179.7° |
| C14 | S01 | O01 | O02 | 123.9° | 122.9° |
| C14 | S01 | O01 | N1 | 116.0° | 114.1° |
| C14 | S01 | O02 | N1 | 115.4° | 114.1° |
| C14 | S01 | N1 | C17 | 92.1° | 65.1° |
| S01 | C14 | C13 | H13 | 0.9° | 0.1° |
| S01 | C14 | C15 | H15 | 0.6° | 0.0° |
| C14 | S01 | N1 | H1 | 29.7° | 115.0° |
| O01 | S01 | O02 | N1 | 120.9° | 123.0° |
| O01 | S01 | N1 | C17 | 23.8° | 48.5° |
| O01 | S01 | N1 | H1 | 145.7° | 131.4° |
| O02 | S01 | N1 | C17 | 152.4° | 178.6° |
| O02 | S01 | N1 | H1 | 85.8° | 1.5° |
| S01 | N1 | C17 | H1 | 121.9° | 179.9° |
| S01 | N1 | C17 | C18 | 101.8° | 145.0° |
| S01 | N1 | C17 | C1 | 136.2° | 93.9° |
| S01 | N1 | C17 | H17 | 17.2° | 25.5° |
| N1 | C17 | C18 | C1 | 120.8° | 120.3° |
| N1 | C17 | C18 | H17 | 119.5° | 119.5° |
| N1 | C17 | C1 | H17 | 119.4° | 119.4° |
| N1 | C17 | C18 | C19 | 174.2° | 169.7° |
| N1 | C17 | C1 | C20 | 175.1° | 169.7° |
| N1 | C17 | C18 | H181 | 53.9° | 49.6° |
| N1 | C17 | C18 | H182 | 65.6° | 70.1° |
| N1 | C17 | C1 | H11C | 64.6° | 70.1° |
| N1 | C17 | C1 | H12C | 54.7° | 49.5° |
| C18 | C17 | C1 | H17 | 119.7° | 120.3° |
| C17 | C18 | C19 | H181 | 120.3° | 120.1° |
| C17 | C18 | C19 | H182 | 120.3° | 120.2° |
| C17 | C18 | C19 | S | 64.1° | 63.7° |
| C18 | C17 | C1 | C20 | 64.0° | 70.0° |
| C18 | C17 | N1 | H1 | 20.0° | 34.9° |
| C17 | C18 | H181 | H182 | 119.3° | 119.7° |
| C18 | C17 | C1 | H11C | 56.3° | 50.2° |
| C18 | C17 | C1 | H12C | 175.7° | 169.8° |
| C17 | C18 | C19 | H191 | 55.8° | 56.2° |
| C17 | C18 | C19 | H192 | 176.1° | 176.5° |
| C1 | C17 | C18 | C19 | 65.0° | 70.0° |
| C17 | C1 | C20 | S | 62.0° | 63.6° |
| C17 | C1 | C20 | H11C | 120.3° | 120.1° |
| C17 | C1 | C20 | H12C | 120.4° | 120.2° |
| C1 | C17 | N1 | H1 | 101.9° | 86.2° |
| C1 | C17 | C18 | H181 | 174.7° | 169.9° |
| C1 | C17 | C18 | H182 | 55.2° | 50.2° |
| C17 | C1 | H11C | H12C | 119.0° | 119.7° |
| C17 | C1 | C20 | H201 | 57.9° | 56.2° |
| C17 | C1 | C20 | H202 | 178.1° | 176.5° |
| C18 | C19 | S | H191 | 119.9° | 119.8° |
| C18 | C19 | S | H192 | 119.9° | 119.8° |
| C18 | C19 | S | O03 | 172.7° | 168.6° |
| C18 | C19 | S | O1 | 57.0° | 60.1° |
| C18 | C19 | S | C20 | 57.8° | 54.3° |
| C19 | C18 | C17 | H17 | 54.6° | 50.3° |
| C19 | C18 | H181 | H182 | 119.3° | 119.8° |
| C18 | C19 | H191 | H192 | 120.4° | 120.2° |
| C19 | S | O03 | O1 | 125.1° | 125.2° |
| C19 | S | O03 | C20 | 109.9° | 109.4° |
| C19 | S | O1 | C20 | 109.9° | 109.5° |
| C19 | S | C20 | C1 | 56.7° | 54.3° |
| S | C19 | C18 | H181 | 175.7° | 176.2° |
| S | C19 | C18 | H182 | 56.2° | 56.5° |
| S | C19 | H191 | H192 | 120.4° | 120.3° |
| C19 | S | C20 | H201 | 63.3° | 65.5° |
| C19 | S | C20 | H202 | 176.6° | 174.1° |
| O03 | S | O1 | C20 | 125.0° | 125.3° |
| O03 | S | C20 | C1 | 171.5° | 168.6° |
| O03 | S | C19 | H191 | 52.8° | 48.8° |
| O03 | S | C19 | H192 | 67.4° | 71.5° |
| O03 | S | C20 | H201 | 51.6° | 48.8° |
| O03 | S | C20 | H202 | 68.6° | 71.5° |
| O1 | S | C20 | C1 | 58.2° | 60.1° |
| O1 | S | C19 | H191 | 176.9° | 179.9° |
| O1 | S | C19 | H192 | 62.8° | 59.7° |
| O1 | S | C20 | H201 | 178.2° | 179.9° |
| O1 | S | C20 | H202 | 61.7° | 59.7° |
| S | C20 | C1 | H201 | 120.0° | 119.8° |
| S | C20 | C1 | H202 | 119.9° | 119.9° |
| S | C20 | C1 | H11C | 58.3° | 56.5° |
| S | C20 | C1 | H12C | 177.6° | 176.2° |
| C20 | S | C19 | H191 | 62.1° | 65.5° |
| C20 | S | C19 | H192 | 177.6° | 174.1° |
| S | C20 | H201 | H202 | 120.2° | 120.3° |
| C20 | C1 | C17 | H17 | 55.7° | 50.3° |
| C20 | C1 | H11C | H12C | 118.9° | 119.8° |
| C1 | C20 | H201 | H202 | 120.2° | 120.2° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H011 | C01 | C02 | H02 | 62.4° | 59.9° |
| H012 | C01 | C02 | H02 | 177.6° | 60.0° |
| H013 | C01 | C02 | H02 | 57.6° | 180.0° |
| H02 | C02 | C03 | H031 | 62.4° | 180.0° |
| H02 | C02 | C03 | H032 | 57.6° | 60.0° |
| H02 | C02 | C03 | H033 | 177.6° | 60.0° |
| H031 | C03 | H032 | H033 | 120.0° | 119.9° |
| H08 | C08 | C09 | H09 | 0.0° | 0.0° |
| H12 | C12 | C13 | H13 | 0.8° | 0.1° |
| H16 | C16 | C15 | H15 | 0.3° | 0.0° |
| H1 | N1 | C17 | H17 | 139.1° | 154.4° |
| H17 | C17 | C18 | H181 | 65.6° | 69.9° |
| H17 | C17 | C18 | H182 | 174.9° | 170.4° |
| H17 | C17 | C1 | H11C | 176.0° | 170.4° |
| H17 | C17 | C1 | H12C | 64.7° | 69.9° |
| H181 | C18 | C19 | H191 | 64.5° | 64.0° |
| H181 | C18 | C19 | H192 | 55.8° | 56.3° |
| H182 | C18 | C19 | H191 | 176.0° | 176.3° |
| H182 | C18 | C19 | H192 | 63.7° | 63.3° |
| H11C | C1 | C20 | H201 | 178.3° | 176.3° |
| H11C | C1 | C20 | H202 | 61.6° | 63.4° |
| H12C | C1 | C20 | H201 | 62.4° | 64.0° |
| H12C | C1 | C20 | H202 | 57.7° | 56.3° |
