SOF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.46Å | |
| O01 | C19 | sing | 1.36Å | 1.39Å | |
| C02 | C03 | sing | 1.51Å | 1.59Å | |
| C03 | O04 | doub | 1.21Å | 1.26Å | |
| C03 | N05 | sing | 1.35Å | 1.42Å | |
| N05 | C06 | sing | 1.47Å | 1.47Å | |
| N05 | C18 | sing | 1.47Å | 1.48Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C08 | N09 | sing | 1.47Å | 1.51Å | |
| C08 | C17 | sing | 1.53Å | 1.55Å | |
| N09 | C10 | sing | 1.47Å | 1.51Å | |
| N09 | C14 | sing | 1.47Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| N12 | C15 | sing | 1.47Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.54Å | 1.54Å | |
| C19 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C25 | sing | 1.48Å | 1.47Å | |
| C23 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | HA1 | sing | 1.09Å | 1.10Å | |
| C15 | HB2 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | O01 | C19 | 117.8° | 117.0° |
| O01 | C02 | C03 | 118.3° | 109.5° |
| O01 | C02 | H021 | 107.2° | 109.4° |
| O01 | C02 | H022 | 107.2° | 109.5° |
| O01 | C19 | C20 | 121.0° | 119.9° |
| O01 | C19 | C24 | 122.5° | 120.0° |
| C02 | C03 | O04 | 116.3° | 120.0° |
| C02 | C03 | N05 | 124.5° | 120.0° |
| C03 | C02 | H021 | 107.2° | 109.5° |
| C03 | C02 | H022 | 107.2° | 109.5° |
| O04 | C03 | N05 | 119.2° | 120.0° |
| C03 | N05 | C06 | 126.7° | 120.6° |
| C03 | N05 | C18 | 123.6° | 120.6° |
| C06 | N05 | C18 | 109.6° | 118.7° |
| N05 | C06 | C07 | 112.8° | 108.8° |
| N05 | C06 | H061 | 108.7° | 109.6° |
| N05 | C06 | H062 | 108.7° | 109.6° |
| N05 | C18 | C17 | 113.0° | 108.5° |
| N05 | C18 | H181 | 108.6° | 109.5° |
| N05 | C18 | H182 | 108.6° | 109.6° |
| C06 | C07 | C08 | 112.8° | 109.3° |
| C07 | C06 | H061 | 108.6° | 109.6° |
| C07 | C06 | H062 | 108.6° | 109.5° |
| C06 | C07 | H071 | 108.7° | 109.5° |
| C06 | C07 | H072 | 108.6° | 109.5° |
| C07 | C08 | N09 | 108.4° | 109.5° |
| C07 | C08 | C17 | 108.4° | 109.5° |
| C08 | C07 | H071 | 108.6° | 109.5° |
| C08 | C07 | H072 | 108.7° | 109.5° |
| C07 | C08 | H08 | 108.4° | 109.4° |
| N09 | C08 | C17 | 114.3° | 109.5° |
| C08 | N09 | C10 | 107.4° | 111.0° |
| C08 | N09 | C14 | 116.5° | 111.0° |
| N09 | C08 | H08 | 108.8° | 109.5° |
| C08 | C17 | C18 | 113.4° | 109.3° |
| C17 | C08 | H08 | 108.4° | 109.5° |
| C08 | C17 | H171 | 108.5° | 109.5° |
| C08 | C17 | H172 | 108.5° | 109.5° |
| C10 | N09 | C14 | 107.7° | 110.9° |
| N09 | C10 | C11 | 117.1° | 109.4° |
| N09 | C10 | H101 | 107.5° | 109.5° |
| N09 | C10 | H102 | 107.5° | 109.5° |
| N09 | C14 | C13 | 116.6° | 109.3° |
| N09 | C14 | H141 | 107.7° | 109.5° |
| N09 | C14 | H142 | 107.7° | 109.5° |
| C10 | C11 | N12 | 108.0° | 109.3° |
| C11 | C10 | H101 | 107.5° | 109.5° |
| C11 | C10 | H102 | 107.5° | 109.5° |
| C10 | C11 | H111 | 109.9° | 109.5° |
| C10 | C11 | H112 | 109.8° | 109.5° |
| C11 | N12 | C13 | 106.7° | 110.8° |
| C11 | N12 | C15 | 108.3° | 111.0° |
| N12 | C11 | H111 | 109.8° | 109.5° |
| N12 | C11 | H112 | 109.8° | 109.4° |
| C13 | N12 | C15 | 105.9° | 111.0° |
| N12 | C13 | C14 | 106.9° | 109.4° |
| N12 | C13 | H131 | 110.1° | 109.5° |
| N12 | C13 | H132 | 110.1° | 109.5° |
| N12 | C15 | C16 | 104.9° | 109.5° |
| N12 | C15 | HA1 | 110.6° | 109.5° |
| N12 | C15 | HB2 | 110.6° | 109.5° |
| C13 | C14 | H141 | 107.7° | 109.5° |
| C13 | C14 | H142 | 107.7° | 109.5° |
| C14 | C13 | H131 | 110.1° | 109.5° |
| C14 | C13 | H132 | 110.1° | 109.4° |
| C16 | C15 | HA1 | 110.6° | 109.5° |
| C16 | C15 | HB2 | 110.6° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.4° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| C17 | C18 | H181 | 108.6° | 109.8° |
| C17 | C18 | H182 | 108.6° | 109.7° |
| C18 | C17 | H171 | 108.5° | 109.7° |
| C18 | C17 | H172 | 108.5° | 109.4° |
| C20 | C19 | C24 | 116.5° | 120.1° |
| C19 | C20 | C21 | 121.6° | 120.0° |
| C19 | C20 | H20 | 119.2° | 120.0° |
| C19 | C24 | C23 | 121.0° | 120.1° |
| C19 | C24 | H24 | 119.5° | 120.0° |
| C20 | C21 | C22 | 122.0° | 119.9° |
| C21 | C20 | H20 | 119.2° | 120.0° |
| C20 | C21 | H21 | 119.0° | 120.0° |
| C21 | C22 | C23 | 115.5° | 119.9° |
| C21 | C22 | C25 | 121.9° | 120.1° |
| C22 | C21 | H21 | 119.0° | 120.0° |
| C23 | C22 | C25 | 122.6° | 120.1° |
| C22 | C23 | C24 | 123.4° | 119.9° |
| C22 | C23 | H23 | 118.3° | 120.0° |
| C22 | C25 | C26 | 120.3° | 120.1° |
| C22 | C25 | C30 | 122.1° | 120.1° |
| C23 | C24 | H24 | 119.5° | 120.0° |
| C24 | C23 | H23 | 118.3° | 120.0° |
| C26 | C25 | C30 | 117.6° | 119.8° |
| C25 | C26 | C27 | 122.7° | 119.9° |
| C25 | C26 | H26 | 118.6° | 120.1° |
| C25 | C30 | C29 | 120.5° | 119.9° |
| C25 | C30 | H30 | 119.7° | 120.0° |
| C26 | C27 | C28 | 119.2° | 120.1° |
| C27 | C26 | H26 | 118.6° | 120.0° |
| C26 | C27 | H27 | 120.4° | 119.9° |
| C27 | C28 | C29 | 118.9° | 120.2° |
| C28 | C27 | H27 | 120.4° | 120.0° |
| C27 | C28 | H28 | 120.5° | 119.8° |
| C28 | C29 | C30 | 121.1° | 120.2° |
| C29 | C28 | H28 | 120.6° | 120.0° |
| C28 | C29 | H29 | 119.5° | 119.9° |
| C29 | C30 | H30 | 119.8° | 120.1° |
| C30 | C29 | H29 | 119.5° | 119.9° |
| H021 | C02 | H022 | 109.5° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.7° |
| H181 | C18 | H182 | 109.5° | 109.7° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| HA1 | C15 | HB2 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H021 | 121.3° | 120.0° |
| O01 | C02 | C03 | H022 | 121.3° | 120.0° |
| O01 | C02 | C03 | O04 | 18.5° | 0.0° |
| O01 | C02 | C03 | N05 | 161.3° | 180.0° |
| C02 | O01 | C19 | C20 | 56.9° | 180.0° |
| C02 | O01 | C19 | C24 | 121.0° | 0.2° |
| O01 | C02 | H021 | H022 | 116.0° | 120.0° |
| C19 | O01 | C02 | C03 | 123.3° | 180.0° |
| O01 | C19 | C20 | C24 | 178.1° | 179.8° |
| O01 | C19 | C20 | C21 | 178.6° | 180.0° |
| O01 | C19 | C24 | C23 | 178.7° | 179.7° |
| C19 | O01 | C02 | H021 | 115.4° | 60.0° |
| C19 | O01 | C02 | H022 | 2.1° | 59.9° |
| O01 | C19 | C20 | H20 | 1.4° | 0.0° |
| O01 | C19 | C24 | H24 | 1.4° | 0.0° |
| C02 | C03 | O04 | N05 | 179.8° | 180.0° |
| C02 | C03 | N05 | C06 | 178.6° | 180.0° |
| C02 | C03 | N05 | C18 | 0.1° | 0.2° |
| C03 | C02 | H021 | H022 | 115.9° | 120.0° |
| O04 | C03 | N05 | C06 | 1.2° | 0.0° |
| O04 | C03 | N05 | C18 | 179.7° | 179.8° |
| O04 | C03 | C02 | H021 | 139.7° | 120.0° |
| O04 | C03 | C02 | H022 | 102.8° | 120.0° |
| C03 | N05 | C06 | C18 | 178.6° | 179.8° |
| C03 | N05 | C06 | C07 | 121.3° | 126.4° |
| C03 | N05 | C18 | C17 | 121.6° | 126.3° |
| N05 | C03 | C02 | H021 | 40.1° | 60.0° |
| N05 | C03 | C02 | H022 | 77.4° | 60.0° |
| C03 | N05 | C06 | H061 | 118.3° | 6.6° |
| C03 | N05 | C06 | H062 | 0.8° | 113.9° |
| C03 | N05 | C18 | H181 | 1.1° | 113.8° |
| C03 | N05 | C18 | H182 | 117.9° | 6.6° |
| N05 | C06 | C07 | H061 | 120.5° | 119.8° |
| N05 | C06 | C07 | H062 | 120.5° | 119.8° |
| N05 | C06 | C07 | C08 | 55.8° | 54.6° |
| C06 | N05 | C18 | C17 | 57.0° | 53.9° |
| N05 | C06 | H061 | H062 | 118.5° | 120.4° |
| C06 | N05 | C18 | H181 | 177.5° | 66.0° |
| C06 | N05 | C18 | H182 | 63.5° | 173.6° |
| N05 | C06 | C07 | H071 | 176.4° | 65.4° |
| N05 | C06 | C07 | H072 | 64.7° | 174.6° |
| C18 | N05 | C06 | C07 | 57.3° | 53.8° |
| N05 | C18 | C17 | C08 | 55.0° | 54.9° |
| N05 | C18 | C17 | H181 | 120.5° | 119.7° |
| N05 | C18 | C17 | H182 | 120.5° | 119.7° |
| C18 | N05 | C06 | H061 | 63.1° | 173.6° |
| C18 | N05 | C06 | H062 | 177.8° | 65.9° |
| N05 | C18 | H181 | H182 | 118.4° | 120.3° |
| N05 | C18 | C17 | H171 | 175.6° | 65.1° |
| N05 | C18 | C17 | H172 | 65.5° | 174.7° |
| C06 | C07 | C08 | H071 | 120.5° | 119.9° |
| C06 | C07 | C08 | H072 | 120.5° | 120.0° |
| C06 | C07 | C08 | N09 | 74.9° | 178.6° |
| C06 | C07 | C08 | C17 | 49.7° | 61.3° |
| C07 | C06 | H061 | H062 | 118.5° | 120.3° |
| C06 | C07 | H071 | H072 | 118.5° | 120.0° |
| C06 | C07 | C08 | H08 | 167.1° | 58.7° |
| C07 | C08 | N09 | C17 | 121.0° | 120.1° |
| C07 | C08 | N09 | H08 | 117.7° | 119.9° |
| C07 | C08 | C17 | H08 | 117.5° | 120.0° |
| C07 | C08 | N09 | C10 | 87.5° | 175.0° |
| C07 | C08 | N09 | C14 | 151.7° | 61.2° |
| C07 | C08 | C17 | C18 | 49.6° | 61.5° |
| C08 | C07 | C06 | H061 | 64.7° | 174.4° |
| C08 | C07 | C06 | H062 | 176.4° | 65.2° |
| C08 | C07 | H071 | H072 | 118.5° | 120.1° |
| C07 | C08 | C17 | H171 | 170.2° | 58.6° |
| C07 | C08 | C17 | H172 | 71.0° | 178.7° |
| N09 | C08 | C17 | H08 | 121.5° | 120.0° |
| C08 | N09 | C10 | C14 | 126.3° | 123.8° |
| C08 | N09 | C10 | C11 | 85.9° | 176.8° |
| C08 | N09 | C14 | C13 | 76.8° | 176.8° |
| N09 | C08 | C17 | C18 | 71.4° | 178.5° |
| N09 | C08 | C07 | H071 | 45.6° | 61.5° |
| N09 | C08 | C07 | H072 | 164.6° | 58.6° |
| N09 | C08 | C17 | H171 | 49.1° | 61.4° |
| N09 | C08 | C17 | H172 | 168.0° | 58.7° |
| C08 | N09 | C10 | H101 | 153.1° | 56.8° |
| C08 | N09 | C10 | H102 | 35.2° | 63.2° |
| C08 | N09 | C14 | H141 | 44.3° | 63.2° |
| C08 | N09 | C14 | H142 | 162.2° | 56.9° |
| C17 | C08 | N09 | C10 | 151.5° | 65.0° |
| C17 | C08 | N09 | C14 | 30.7° | 58.8° |
| C08 | C17 | C18 | H171 | 120.6° | 120.0° |
| C08 | C17 | C18 | H172 | 120.6° | 119.8° |
| C08 | C17 | C18 | H181 | 175.5° | 64.8° |
| C08 | C17 | C18 | H182 | 65.5° | 174.5° |
| C17 | C08 | C07 | H071 | 170.2° | 58.6° |
| C17 | C08 | C07 | H072 | 70.9° | 178.7° |
| C08 | C17 | H171 | H172 | 118.2° | 120.1° |
| N09 | C10 | C11 | H101 | 121.1° | 120.0° |
| N09 | C10 | C11 | H102 | 121.1° | 120.0° |
| N09 | C10 | C11 | N12 | 53.4° | 58.4° |
| C10 | N09 | C14 | C13 | 43.9° | 59.3° |
| C10 | N09 | C08 | H08 | 30.3° | 55.0° |
| N09 | C10 | H101 | H102 | 116.5° | 120.1° |
| C10 | N09 | C14 | H141 | 165.0° | 60.7° |
| C10 | N09 | C14 | H142 | 77.2° | 179.3° |
| N09 | C10 | C11 | H111 | 173.2° | 61.5° |
| N09 | C10 | C11 | H112 | 66.4° | 178.3° |
| C14 | N09 | C10 | C11 | 40.4° | 59.3° |
| N09 | C14 | C13 | N12 | 60.3° | 58.5° |
| N09 | C14 | C13 | H141 | 121.0° | 120.0° |
| N09 | C14 | C13 | H142 | 121.1° | 119.9° |
| C14 | N09 | C08 | H08 | 90.5° | 178.8° |
| C14 | N09 | C10 | H101 | 80.7° | 179.3° |
| C14 | N09 | C10 | H102 | 161.5° | 60.6° |
| N09 | C14 | H141 | H142 | 116.7° | 120.0° |
| N09 | C14 | C13 | H131 | 179.9° | 61.6° |
| N09 | C14 | C13 | H132 | 59.3° | 178.4° |
| C10 | C11 | N12 | H111 | 119.8° | 120.0° |
| C10 | C11 | N12 | H112 | 119.8° | 120.0° |
| C10 | C11 | N12 | C13 | 66.0° | 59.3° |
| C10 | C11 | N12 | C15 | 179.6° | 64.6° |
| C11 | C10 | H101 | H102 | 116.5° | 120.0° |
| C10 | C11 | H111 | H112 | 120.7° | 120.2° |
| C11 | N12 | C13 | C15 | 115.3° | 123.9° |
| C11 | N12 | C13 | C14 | 69.2° | 59.4° |
| C11 | N12 | C15 | C16 | 137.2° | 170.0° |
| N12 | C11 | C10 | H101 | 67.7° | 178.4° |
| N12 | C11 | C10 | H102 | 174.5° | 61.6° |
| N12 | C11 | H111 | H112 | 120.6° | 120.0° |
| C11 | N12 | C13 | H131 | 171.2° | 60.6° |
| C11 | N12 | C13 | H132 | 50.4° | 179.3° |
| C11 | N12 | C15 | HA1 | 17.9° | 50.0° |
| C11 | N12 | C15 | HB2 | 103.5° | 70.0° |
| N12 | C13 | C14 | H131 | 119.6° | 120.0° |
| N12 | C13 | C14 | H132 | 119.6° | 119.9° |
| C13 | N12 | C15 | C16 | 108.6° | 66.2° |
| N12 | C13 | C14 | H141 | 178.7° | 61.5° |
| N12 | C13 | C14 | H142 | 60.8° | 178.4° |
| C13 | N12 | C11 | H111 | 174.2° | 60.6° |
| C13 | N12 | C11 | H112 | 53.7° | 179.3° |
| N12 | C13 | H131 | H132 | 121.2° | 120.1° |
| C13 | N12 | C15 | HA1 | 132.1° | 173.8° |
| C13 | N12 | C15 | HB2 | 10.7° | 53.8° |
| C15 | N12 | C13 | C14 | 175.5° | 64.5° |
| N12 | C15 | C16 | HA1 | 119.3° | 120.0° |
| N12 | C15 | C16 | HB2 | 119.3° | 120.0° |
| C15 | N12 | C11 | H111 | 60.5° | 175.5° |
| C15 | N12 | C11 | H112 | 59.9° | 55.4° |
| C15 | N12 | C13 | H131 | 56.0° | 175.5° |
| C15 | N12 | C13 | H132 | 64.9° | 55.4° |
| N12 | C15 | HA1 | HB2 | 122.1° | 120.0° |
| N12 | C15 | C16 | H161 | 180.0° | 60.0° |
| N12 | C15 | C16 | H162 | 60.0° | 60.0° |
| N12 | C15 | C16 | H163 | 60.0° | 180.0° |
| C13 | C14 | H141 | H142 | 116.8° | 120.1° |
| C14 | C13 | H131 | H132 | 121.2° | 120.0° |
| C16 | C15 | HA1 | HB2 | 122.2° | 120.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.1° |
| C17 | C18 | H181 | H182 | 118.4° | 120.6° |
| C18 | C17 | C08 | H08 | 167.1° | 58.5° |
| C18 | C17 | H171 | H172 | 118.2° | 120.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C20 | C19 | C24 | C23 | 0.6° | 0.5° |
| C20 | C19 | C24 | H24 | 179.4° | 179.8° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C24 | C19 | C20 | C21 | 0.6° | 0.2° |
| C19 | C24 | C23 | C22 | 0.2° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.8° |
| C24 | C19 | C20 | H20 | 179.4° | 179.8° |
| C19 | C24 | C23 | H23 | 179.8° | 179.8° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.4° | 0.0° |
| C20 | C21 | C22 | C25 | 179.7° | 180.0° |
| C21 | C22 | C23 | C25 | 179.3° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.3° |
| C21 | C22 | C25 | C26 | 85.5° | 180.0° |
| C21 | C22 | C25 | C30 | 95.3° | 0.3° |
| C22 | C21 | C20 | H20 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 179.7° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C23 | C22 | C25 | C26 | 93.7° | 0.0° |
| C23 | C22 | C25 | C30 | 85.5° | 179.7° |
| C22 | C23 | C24 | H24 | 179.8° | 179.7° |
| C23 | C22 | C21 | H21 | 179.6° | 180.0° |
| C25 | C22 | C23 | C24 | 179.6° | 179.7° |
| C22 | C25 | C26 | C30 | 179.2° | 179.7° |
| C22 | C25 | C26 | C27 | 179.7° | 180.0° |
| C22 | C25 | C30 | C29 | 179.8° | 179.8° |
| C25 | C22 | C21 | H21 | 0.3° | 0.0° |
| C25 | C22 | C23 | H23 | 0.4° | 0.0° |
| C22 | C25 | C26 | H26 | 0.3° | 0.0° |
| C22 | C25 | C30 | H30 | 0.2° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.0° |
| C26 | C25 | C30 | C29 | 0.5° | 0.5° |
| C26 | C25 | C30 | H30 | 179.5° | 179.7° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| C30 | C25 | C26 | C27 | 0.5° | 0.3° |
| C25 | C30 | C29 | C28 | 0.3° | 0.5° |
| C25 | C30 | C29 | H30 | 180.0° | 179.8° |
| C30 | C25 | C26 | H26 | 179.6° | 179.7° |
| C25 | C30 | C29 | H29 | 179.7° | 179.7° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.1° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.2° |
| C28 | C27 | C26 | H26 | 179.9° | 180.0° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C28 | C29 | C30 | H30 | 179.7° | 179.7° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C30 | C29 | C28 | H28 | 179.9° | 179.8° |
| H061 | C06 | C07 | H071 | 55.8° | 54.4° |
| H061 | C06 | C07 | H072 | 174.8° | 65.6° |
| H062 | C06 | C07 | H071 | 63.1° | 174.9° |
| H062 | C06 | C07 | H072 | 55.8° | 54.9° |
| H181 | C18 | C17 | H171 | 63.9° | 175.2° |
| H181 | C18 | C17 | H172 | 55.0° | 55.0° |
| H182 | C18 | C17 | H171 | 55.1° | 54.5° |
| H182 | C18 | C17 | H172 | 173.9° | 65.6° |
| H071 | C07 | C08 | H08 | 72.4° | 178.6° |
| H072 | C07 | C08 | H08 | 46.6° | 61.3° |
| H08 | C08 | C17 | H171 | 72.3° | 178.6° |
| H08 | C08 | C17 | H172 | 46.5° | 61.3° |
| H101 | C10 | C11 | H111 | 52.1° | 58.5° |
| H101 | C10 | C11 | H112 | 172.5° | 61.7° |
| H102 | C10 | C11 | H111 | 65.7° | 178.5° |
| H102 | C10 | C11 | H112 | 54.7° | 58.3° |
| H141 | C14 | C13 | H131 | 59.1° | 178.5° |
| H141 | C14 | C13 | H132 | 61.7° | 58.4° |
| H142 | C14 | C13 | H131 | 58.8° | 58.3° |
| H142 | C14 | C13 | H132 | 179.6° | 61.7° |
| HA1 | C15 | C16 | H161 | 60.7° | 180.0° |
| HA1 | C15 | C16 | H162 | 179.3° | 60.0° |
| HA1 | C15 | C16 | H163 | 59.3° | 60.0° |
| HB2 | C15 | C16 | H161 | 60.8° | 60.0° |
| HB2 | C15 | C16 | H162 | 59.3° | 180.0° |
| HB2 | C15 | C16 | H163 | 179.3° | 60.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H20 | C20 | C21 | H21 | 0.0° | 0.0° |
| H24 | C24 | C23 | H23 | 0.2° | 0.0° |
| H26 | C26 | C27 | H27 | 0.2° | 0.0° |
| H30 | C30 | C29 | H29 | 0.3° | 0.1° |
| H27 | C27 | C28 | H28 | 0.0° | 0.0° |
| H28 | C28 | C29 | H29 | 0.0° | 0.0° |






