ICJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C01 | sing | 1.43Å | 1.43Å | |
| O2 | C03 | sing | 1.43Å | 1.42Å | |
| O3 | C24 | sing | 1.43Å | 1.42Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C01 | C10 | sing | 1.52Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.58Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.52Å | 1.55Å | |
| C05 | C06 | doub | 1.35Å | 1.41Å | |
| C05 | C10 | sing | 1.48Å | 1.42Å | |
| C06 | C07 | sing | 1.46Å | 1.39Å | |
| C07 | C08 | doub | 1.33Å | 1.39Å | |
| C08 | C09 | sing | 1.52Å | 1.57Å | |
| C08 | C14 | sing | 1.50Å | 1.56Å | |
| C09 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C19 | doub | 1.33Å | 1.41Å | |
| C11 | C12 | sing | 1.54Å | 1.57Å | |
| C12 | C13 | sing | 1.51Å | 1.58Å | |
| C13 | C14 | sing | 1.55Å | 1.57Å | |
| C13 | C17 | sing | 1.52Å | 1.56Å | |
| C13 | C18 | sing | 1.53Å | 1.59Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C16 | C17 | sing | 1.54Å | 1.57Å | |
| C17 | C20 | sing | 1.53Å | 1.58Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | C22 | sing | 1.53Å | 1.58Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | C28 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H19A | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C01 | C02 | 109.7° | 109.7° |
| O1 | C01 | C10 | 110.7° | 109.7° |
| C01 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C01 | H01 | 108.7° | 109.7° |
| O2 | C03 | C02 | 109.6° | 109.4° |
| O2 | C03 | C04 | 108.0° | 109.4° |
| C03 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C03 | H03 | 111.1° | 109.4° |
| O3 | C24 | C23 | 106.0° | 109.5° |
| O3 | C24 | C25 | 110.2° | 109.5° |
| C24 | O3 | HO3 | 109.5° | 114.1° |
| O3 | C24 | H24 | 112.8° | 109.5° |
| C02 | C01 | C10 | 110.3° | 108.3° |
| C01 | C02 | C03 | 111.7° | 109.8° |
| C02 | C01 | H01 | 109.2° | 109.7° |
| C01 | C02 | H02 | 108.7° | 109.5° |
| C01 | C02 | H02A | 108.7° | 109.4° |
| C01 | C10 | C05 | 115.7° | 116.8° |
| C01 | C10 | C19 | 118.0° | 121.6° |
| C10 | C01 | H01 | 108.2° | 109.7° |
| C02 | C03 | C04 | 111.7° | 109.8° |
| C03 | C02 | H02 | 108.8° | 109.4° |
| C03 | C02 | H02A | 108.7° | 109.4° |
| C02 | C03 | H03 | 107.4° | 109.4° |
| C03 | C04 | C05 | 114.8° | 108.4° |
| C04 | C03 | H03 | 109.1° | 109.4° |
| C03 | C04 | H04 | 107.7° | 109.7° |
| C03 | C04 | H04A | 107.7° | 109.7° |
| C04 | C05 | C06 | 112.8° | 121.6° |
| C04 | C05 | C10 | 118.3° | 116.8° |
| C05 | C04 | H04 | 107.7° | 109.7° |
| C05 | C04 | H04A | 107.7° | 109.7° |
| C06 | C05 | C10 | 128.9° | 121.6° |
| C05 | C06 | C07 | 127.3° | 120.0° |
| C05 | C06 | H06 | 116.3° | 120.0° |
| C05 | C10 | C19 | 126.3° | 121.6° |
| C06 | C07 | C08 | 126.1° | 120.0° |
| C07 | C06 | H06 | 116.4° | 120.0° |
| C06 | C07 | H07 | 116.9° | 120.0° |
| C07 | C08 | C09 | 124.1° | 122.4° |
| C07 | C08 | C14 | 123.7° | 122.4° |
| C08 | C07 | H07 | 117.0° | 120.0° |
| C09 | C08 | C14 | 112.1° | 115.2° |
| C08 | C09 | C11 | 111.8° | 110.7° |
| C08 | C09 | H09 | 108.7° | 109.2° |
| C08 | C09 | H09A | 108.7° | 109.2° |
| C08 | C14 | C13 | 104.4° | 105.8° |
| C08 | C14 | C15 | 117.8° | 116.7° |
| C08 | C14 | H14 | 106.3° | 110.7° |
| C09 | C11 | C12 | 112.4° | 111.8° |
| C11 | C09 | H09 | 108.7° | 109.2° |
| C11 | C09 | H09A | 108.7° | 109.2° |
| C09 | C11 | H11 | 108.5° | 109.0° |
| C09 | C11 | H11A | 108.5° | 109.0° |
| C10 | C19 | H19 | 120.0° | 120.0° |
| C10 | C19 | H19A | 120.0° | 120.0° |
| C11 | C12 | C13 | 114.2° | 107.6° |
| C12 | C11 | H11 | 108.5° | 109.0° |
| C12 | C11 | H11A | 108.5° | 109.0° |
| C11 | C12 | H12 | 107.9° | 109.8° |
| C11 | C12 | H12A | 107.9° | 109.8° |
| C12 | C13 | C14 | 104.5° | 107.7° |
| C12 | C13 | C17 | 114.9° | 118.4° |
| C12 | C13 | C18 | 110.6° | 109.3° |
| C13 | C12 | H12 | 107.9° | 109.9° |
| C13 | C12 | H12A | 107.9° | 109.8° |
| C14 | C13 | C17 | 98.7° | 103.2° |
| C14 | C13 | C18 | 117.9° | 109.0° |
| C13 | C14 | C15 | 105.5° | 101.1° |
| C13 | C14 | H14 | 118.3° | 110.8° |
| C17 | C13 | C18 | 109.9° | 108.8° |
| C13 | C17 | C16 | 101.2° | 105.0° |
| C13 | C17 | C20 | 120.3° | 110.3° |
| C13 | C17 | H17 | 109.4° | 110.3° |
| C13 | C18 | H18 | 109.5° | 109.5° |
| C13 | C18 | H18A | 109.5° | 109.5° |
| C13 | C18 | H18B | 109.5° | 109.5° |
| C14 | C15 | C16 | 101.7° | 102.8° |
| C15 | C14 | H14 | 105.2° | 111.2° |
| C14 | C15 | H15 | 112.1° | 110.8° |
| C14 | C15 | H15A | 112.2° | 110.8° |
| C15 | C16 | C17 | 109.2° | 106.4° |
| C16 | C15 | H15 | 112.2° | 110.7° |
| C16 | C15 | H15A | 112.2° | 110.7° |
| C15 | C16 | H16 | 109.5° | 110.1° |
| C15 | C16 | H16A | 109.6° | 110.1° |
| C16 | C17 | C20 | 112.7° | 109.8° |
| C17 | C16 | H16 | 109.6° | 110.4° |
| C17 | C16 | H16A | 109.6° | 109.7° |
| C16 | C17 | H17 | 117.4° | 110.9° |
| C17 | C20 | C21 | 111.7° | 109.5° |
| C17 | C20 | C22 | 112.3° | 109.5° |
| C20 | C17 | H17 | 96.8° | 110.4° |
| C17 | C20 | H20 | 106.2° | 109.5° |
| C21 | C20 | C22 | 110.2° | 109.5° |
| C21 | C20 | H20 | 108.4° | 109.4° |
| C20 | C21 | H21 | 109.5° | 109.4° |
| C20 | C21 | H21A | 109.4° | 109.5° |
| C20 | C21 | H21B | 109.5° | 109.5° |
| C20 | C22 | C23 | 108.3° | 109.5° |
| C20 | C22 | C28 | 112.6° | 109.5° |
| C22 | C20 | H20 | 107.9° | 109.5° |
| C20 | C22 | H22 | 107.7° | 109.5° |
| C23 | C22 | C28 | 108.2° | 109.5° |
| C22 | C23 | C24 | 114.8° | 109.5° |
| C23 | C22 | H22 | 112.3° | 109.4° |
| C22 | C23 | H23 | 107.7° | 109.5° |
| C22 | C23 | H23A | 107.7° | 109.4° |
| C22 | C28 | C29 | 116.1° | 109.5° |
| C28 | C22 | H22 | 107.8° | 109.4° |
| C22 | C28 | H28 | 107.3° | 109.5° |
| C22 | C28 | H28A | 107.3° | 109.5° |
| C23 | C24 | C25 | 113.7° | 109.5° |
| C24 | C23 | H23 | 107.7° | 109.5° |
| C24 | C23 | H23A | 107.7° | 109.4° |
| C23 | C24 | H24 | 109.3° | 109.4° |
| C24 | C25 | C26 | 111.8° | 109.5° |
| C24 | C25 | C27 | 110.7° | 109.4° |
| C25 | C24 | H24 | 105.0° | 109.5° |
| C24 | C25 | H25 | 106.4° | 109.5° |
| C26 | C25 | C27 | 107.3° | 109.5° |
| C26 | C25 | H25 | 109.8° | 109.5° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.4° | 109.4° |
| C25 | C26 | H26B | 109.5° | 109.4° |
| C27 | C25 | H25 | 111.0° | 109.4° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H27A | 109.5° | 109.5° |
| C25 | C27 | H27B | 109.4° | 109.5° |
| C28 | C29 | C30 | 110.5° | 109.5° |
| C29 | C28 | H28 | 107.3° | 109.5° |
| C29 | C28 | H28A | 107.3° | 109.5° |
| C28 | C29 | H29 | 109.1° | 109.5° |
| C28 | C29 | H29A | 109.1° | 109.5° |
| C29 | C30 | C31 | 112.2° | 109.5° |
| C30 | C29 | H29 | 109.1° | 109.5° |
| C30 | C29 | H29A | 109.1° | 109.4° |
| C29 | C30 | H30 | 108.6° | 109.5° |
| C29 | C30 | H30A | 108.6° | 109.5° |
| C31 | C30 | H30 | 108.6° | 109.5° |
| C31 | C30 | H30A | 108.6° | 109.4° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H31A | 109.5° | 109.4° |
| C30 | C31 | H31B | 109.5° | 109.4° |
| H02 | C02 | H02A | 110.2° | 109.3° |
| H04 | C04 | H04A | 111.2° | 109.7° |
| H09 | C09 | H09A | 110.2° | 109.2° |
| H11 | C11 | H11A | 110.4° | 108.9° |
| H12 | C12 | H12A | 111.0° | 109.9° |
| H15 | C15 | H15A | 106.6° | 110.8° |
| H16 | C16 | H16A | 109.4° | 110.0° |
| H18 | C18 | H18A | 109.4° | 109.4° |
| H18 | C18 | H18B | 109.4° | 109.4° |
| H18A | C18 | H18B | 109.5° | 109.4° |
| H19 | C19 | H19A | 120.0° | 120.0° |
| H21 | C21 | H21A | 109.4° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H23 | C23 | H23A | 111.1° | 109.4° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.4° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.4° |
| H28 | C28 | H28A | 111.5° | 109.4° |
| H29 | C29 | H29A | 109.8° | 109.5° |
| H30 | C30 | H30A | 110.4° | 109.4° |
| H31 | C31 | H31A | 109.5° | 109.5° |
| H31 | C31 | H31B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C01 | C02 | C10 | 122.2° | 119.7° |
| O1 | C01 | C02 | H01 | 119.1° | 120.5° |
| O1 | C01 | C10 | H01 | 119.0° | 120.5° |
| O1 | C01 | C02 | C03 | 177.7° | 62.0° |
| O1 | C01 | C10 | C05 | 173.0° | 73.1° |
| O1 | C01 | C10 | C19 | 5.1° | 106.8° |
| O1 | C01 | C02 | H02 | 62.3° | 177.9° |
| O1 | C01 | C02 | H02A | 57.7° | 58.1° |
| O2 | C03 | C02 | C01 | 68.0° | 173.7° |
| O2 | C03 | C02 | C04 | 119.6° | 120.1° |
| O2 | C03 | C02 | H03 | 120.8° | 119.9° |
| O2 | C03 | C04 | H03 | 120.9° | 119.8° |
| O2 | C03 | C04 | C05 | 79.4° | 177.8° |
| O2 | C03 | C02 | H02 | 52.0° | 66.2° |
| O2 | C03 | C02 | H02A | 172.1° | 53.6° |
| O2 | C03 | C04 | H04 | 40.6° | 58.1° |
| O2 | C03 | C04 | H04A | 160.6° | 62.5° |
| O3 | C24 | C23 | C22 | 79.4° | 63.7° |
| O3 | C24 | C23 | C25 | 121.2° | 120.0° |
| O3 | C24 | C23 | H24 | 121.8° | 120.0° |
| O3 | C24 | C25 | H24 | 121.7° | 120.0° |
| O3 | C24 | C25 | C26 | 67.8° | 60.0° |
| O3 | C24 | C25 | C27 | 172.6° | 60.0° |
| O3 | C24 | C23 | H23 | 40.6° | 56.4° |
| O3 | C24 | C23 | H23A | 160.6° | 176.3° |
| O3 | C24 | C25 | H25 | 52.0° | 179.9° |
| C02 | C01 | C10 | H01 | 119.3° | 119.7° |
| C01 | C02 | C03 | H02 | 120.0° | 120.1° |
| C01 | C02 | C03 | H02A | 120.0° | 120.1° |
| C01 | C02 | C03 | C04 | 51.6° | 66.3° |
| C02 | C01 | C10 | C05 | 51.4° | 46.6° |
| C02 | C01 | C10 | C19 | 126.8° | 133.4° |
| C02 | C01 | O1 | HO1 | 180.0° | 180.0° |
| C01 | C02 | H02 | H02A | 119.1° | 119.8° |
| C01 | C02 | C03 | H03 | 171.2° | 53.8° |
| C10 | C01 | C02 | C03 | 55.5° | 57.7° |
| C01 | C10 | C05 | C04 | 42.8° | 43.1° |
| C01 | C10 | C05 | C06 | 137.5° | 136.9° |
| C01 | C10 | C05 | C19 | 178.0° | 179.9° |
| C10 | C01 | O1 | HO1 | 58.0° | 61.1° |
| C10 | C01 | C02 | H02 | 175.5° | 62.4° |
| C10 | C01 | C02 | H02A | 64.5° | 177.8° |
| C01 | C10 | C19 | H19 | 177.9° | 0.0° |
| C01 | C10 | C19 | H19A | 2.1° | 180.0° |
| C02 | C03 | C04 | H03 | 118.6° | 120.1° |
| C02 | C03 | C04 | C05 | 41.2° | 57.7° |
| C02 | C03 | O2 | HO2 | 180.0° | 180.0° |
| C03 | C02 | C01 | H01 | 63.2° | 177.4° |
| C03 | C02 | H02 | H02A | 119.1° | 119.8° |
| C02 | C03 | C04 | H04 | 161.2° | 62.0° |
| C02 | C03 | C04 | H04A | 78.8° | 177.4° |
| C03 | C04 | C05 | H04 | 120.0° | 119.7° |
| C03 | C04 | C05 | H04A | 120.0° | 119.8° |
| C03 | C04 | C05 | C06 | 142.3° | 133.4° |
| C03 | C04 | C05 | C10 | 37.9° | 46.6° |
| C04 | C03 | O2 | HO2 | 58.2° | 59.6° |
| C04 | C03 | C02 | H02 | 171.6° | 53.9° |
| C04 | C03 | C02 | H02A | 68.4° | 173.6° |
| C03 | C04 | H04 | H04A | 117.8° | 120.6° |
| C04 | C05 | C06 | C10 | 179.7° | 180.0° |
| C04 | C05 | C06 | C07 | 178.4° | 180.0° |
| C04 | C05 | C10 | C19 | 135.1° | 137.0° |
| C05 | C04 | C03 | H03 | 159.7° | 62.4° |
| C05 | C04 | H04 | H04A | 117.8° | 120.5° |
| C04 | C05 | C06 | H06 | 1.6° | 0.0° |
| C05 | C06 | C07 | H06 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 155.6° | 180.0° |
| C06 | C05 | C10 | C19 | 44.6° | 43.0° |
| C06 | C05 | C04 | H04 | 22.4° | 106.8° |
| C06 | C05 | C04 | H04A | 97.7° | 13.6° |
| C05 | C06 | C07 | H07 | 24.4° | 0.1° |
| C10 | C05 | C06 | C07 | 1.3° | 0.1° |
| C05 | C10 | C01 | H01 | 67.9° | 166.4° |
| C10 | C05 | C04 | H04 | 157.9° | 73.1° |
| C10 | C05 | C04 | H04A | 82.1° | 166.4° |
| C10 | C05 | C06 | H06 | 178.7° | 180.0° |
| C05 | C10 | C19 | H19 | 0.0° | 180.0° |
| C05 | C10 | C19 | H19A | 180.0° | 0.0° |
| C06 | C07 | C08 | H07 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.7° | 0.0° |
| C06 | C07 | C08 | C14 | 175.4° | 179.7° |
| C07 | C08 | C09 | C14 | 176.5° | 179.7° |
| C07 | C08 | C09 | C11 | 122.4° | 129.8° |
| C07 | C08 | C14 | C13 | 108.3° | 121.9° |
| C07 | C08 | C14 | C15 | 8.4° | 10.3° |
| C08 | C07 | C06 | H06 | 24.4° | 0.0° |
| C07 | C08 | C09 | H09 | 117.6° | 109.9° |
| C07 | C08 | C09 | H09A | 2.4° | 9.4° |
| C07 | C08 | C14 | H14 | 125.9° | 118.1° |
| C08 | C09 | C11 | H09 | 120.0° | 120.3° |
| C08 | C09 | C11 | H09A | 120.0° | 120.3° |
| C08 | C09 | C11 | C12 | 41.8° | 48.6° |
| C09 | C08 | C14 | C13 | 68.2° | 57.8° |
| C09 | C08 | C14 | C15 | 175.1° | 169.4° |
| C09 | C08 | C07 | H07 | 179.4° | 180.0° |
| C08 | C09 | H09 | H09A | 119.1° | 119.4° |
| C08 | C09 | C11 | H11 | 161.8° | 169.2° |
| C08 | C09 | C11 | H11A | 78.2° | 72.0° |
| C09 | C08 | C14 | H14 | 57.6° | 62.2° |
| C14 | C08 | C09 | C11 | 54.0° | 49.9° |
| C08 | C14 | C13 | C12 | 68.6° | 66.3° |
| C08 | C14 | C13 | C15 | 124.8° | 122.1° |
| C08 | C14 | C13 | H14 | 117.9° | 120.0° |
| C08 | C14 | C13 | C17 | 172.7° | 167.8° |
| C08 | C14 | C13 | C18 | 54.7° | 52.2° |
| C08 | C14 | C15 | H14 | 118.1° | 128.2° |
| C08 | C14 | C15 | C16 | 146.9° | 156.2° |
| C14 | C08 | C07 | H07 | 4.6° | 0.4° |
| C14 | C08 | C09 | H09 | 65.9° | 70.4° |
| C14 | C08 | C09 | H09A | 174.0° | 170.3° |
| C08 | C14 | C15 | H15 | 26.9° | 37.9° |
| C08 | C14 | C15 | H15A | 93.1° | 85.5° |
| C09 | C11 | C12 | H11 | 120.0° | 120.6° |
| C09 | C11 | C12 | H11A | 120.0° | 120.6° |
| C09 | C11 | C12 | C13 | 48.2° | 59.1° |
| C11 | C09 | H09 | H09A | 119.1° | 119.4° |
| C09 | C11 | H11 | H11A | 118.8° | 118.8° |
| C09 | C11 | C12 | H12 | 71.7° | 60.5° |
| C09 | C11 | C12 | H12A | 168.2° | 178.5° |
| C19 | C10 | C01 | H01 | 113.9° | 13.7° |
| C10 | C19 | H19 | H19A | 180.0° | 180.0° |
| C11 | C12 | C13 | H12 | 120.0° | 119.5° |
| C11 | C12 | C13 | H12A | 120.0° | 119.4° |
| C11 | C12 | C13 | C14 | 61.9° | 68.0° |
| C11 | C12 | C13 | C17 | 168.9° | 175.6° |
| C11 | C12 | C13 | C18 | 66.0° | 50.4° |
| C12 | C11 | C09 | H09 | 78.2° | 71.7° |
| C12 | C11 | C09 | H09A | 161.8° | 168.9° |
| C12 | C11 | H11 | H11A | 118.8° | 118.9° |
| C11 | C12 | H12 | H12A | 118.1° | 120.9° |
| C12 | C13 | C14 | C17 | 118.7° | 125.9° |
| C12 | C13 | C14 | C18 | 123.3° | 118.5° |
| C12 | C13 | C17 | C18 | 125.4° | 125.5° |
| C12 | C13 | C14 | C15 | 166.6° | 171.6° |
| C12 | C13 | C17 | C16 | 154.4° | 149.4° |
| C12 | C13 | C17 | C20 | 80.8° | 92.3° |
| C13 | C12 | C11 | H11 | 168.3° | 179.7° |
| C13 | C12 | C11 | H11A | 71.8° | 61.5° |
| C13 | C12 | H12 | H12A | 118.0° | 121.0° |
| C12 | C13 | C14 | H14 | 49.3° | 53.6° |
| C12 | C13 | C17 | H17 | 29.8° | 29.9° |
| C12 | C13 | C18 | H18 | 180.0° | 66.0° |
| C12 | C13 | C18 | H18A | 60.0° | 174.1° |
| C12 | C13 | C18 | H18B | 60.0° | 54.0° |
| C14 | C13 | C17 | C18 | 124.0° | 115.7° |
| C13 | C14 | C15 | H14 | 125.9° | 117.6° |
| C13 | C14 | C15 | C16 | 30.9° | 42.1° |
| C14 | C13 | C17 | C16 | 43.8° | 30.7° |
| C14 | C13 | C17 | C20 | 168.7° | 149.0° |
| C14 | C13 | C12 | H12 | 58.1° | 51.6° |
| C14 | C13 | C12 | H12A | 178.1° | 172.6° |
| C13 | C14 | C15 | H15 | 89.2° | 76.3° |
| C13 | C14 | C15 | H15A | 150.9° | 160.4° |
| C14 | C13 | C17 | H17 | 80.7° | 88.8° |
| C14 | C13 | C18 | H18 | 59.8° | 51.5° |
| C14 | C13 | C18 | H18A | 179.8° | 68.5° |
| C14 | C13 | C18 | H18B | 60.2° | 171.5° |
| C17 | C13 | C14 | C15 | 47.9° | 45.7° |
| C13 | C17 | C16 | C15 | 27.1° | 4.5° |
| C13 | C17 | C16 | C20 | 129.8° | 118.6° |
| C13 | C17 | C16 | H17 | 118.9° | 119.1° |
| C13 | C17 | C20 | H17 | 117.2° | 122.1° |
| C13 | C17 | C20 | C21 | 60.3° | 66.0° |
| C13 | C17 | C20 | C22 | 175.3° | 174.0° |
| C17 | C13 | C12 | H12 | 48.9° | 64.8° |
| C17 | C13 | C12 | H12A | 71.1° | 56.2° |
| C17 | C13 | C14 | H14 | 69.4° | 72.3° |
| C13 | C17 | C16 | H16 | 92.9° | 115.0° |
| C13 | C17 | C16 | H16A | 147.1° | 123.6° |
| C17 | C13 | C18 | H18 | 52.1° | 163.4° |
| C17 | C13 | C18 | H18A | 67.9° | 43.4° |
| C17 | C13 | C18 | H18B | 172.1° | 76.6° |
| C13 | C17 | C20 | H20 | 57.7° | 54.0° |
| C18 | C13 | C14 | C15 | 70.2° | 69.9° |
| C18 | C13 | C17 | C16 | 80.2° | 85.0° |
| C18 | C13 | C17 | C20 | 44.7° | 33.3° |
| C18 | C13 | C12 | H12 | 174.0° | 169.9° |
| C18 | C13 | C12 | H12A | 53.9° | 69.1° |
| C18 | C13 | C14 | H14 | 172.6° | 172.2° |
| C18 | C13 | C17 | H17 | 155.3° | 155.5° |
| C13 | C18 | H18 | H18A | 120.0° | 120.0° |
| C13 | C18 | H18 | H18B | 120.0° | 120.0° |
| C13 | C18 | H18A | H18B | 120.0° | 120.1° |
| C14 | C15 | C16 | H15 | 120.0° | 118.4° |
| C14 | C15 | C16 | H15A | 120.0° | 118.4° |
| C14 | C15 | C16 | C17 | 2.0° | 23.7° |
| C14 | C15 | H15 | H15A | 123.1° | 123.4° |
| C14 | C15 | C16 | H16 | 122.1° | 143.4° |
| C14 | C15 | C16 | H16A | 117.9° | 95.1° |
| C15 | C16 | C17 | H16 | 120.0° | 119.5° |
| C15 | C16 | C17 | H16A | 120.0° | 119.1° |
| C15 | C16 | C17 | C20 | 156.9° | 123.1° |
| C16 | C15 | C14 | H14 | 95.0° | 75.6° |
| C16 | C15 | H15 | H15A | 123.2° | 123.3° |
| C15 | C16 | H16 | H16A | 120.1° | 121.6° |
| C15 | C16 | C17 | H17 | 91.8° | 114.6° |
| C16 | C17 | C20 | H17 | 123.6° | 122.5° |
| C16 | C17 | C20 | C21 | 179.6° | 178.7° |
| C16 | C17 | C20 | C22 | 56.1° | 58.7° |
| C17 | C16 | C15 | H15 | 118.0° | 94.6° |
| C17 | C16 | C15 | H15A | 122.1° | 142.1° |
| C17 | C16 | H16 | H16A | 120.1° | 121.2° |
| C16 | C17 | C20 | H20 | 61.5° | 61.3° |
| C17 | C20 | C21 | C22 | 125.5° | 120.0° |
| C17 | C20 | C21 | H20 | 116.7° | 120.0° |
| C17 | C20 | C22 | H20 | 116.6° | 120.0° |
| C17 | C20 | C22 | C23 | 176.4° | 174.9° |
| C17 | C20 | C22 | C28 | 64.0° | 65.1° |
| C20 | C17 | C16 | H16 | 36.9° | 3.6° |
| C20 | C17 | C16 | H16A | 83.1° | 117.8° |
| C17 | C20 | C21 | H21 | 180.0° | 55.0° |
| C17 | C20 | C21 | H21A | 60.0° | 65.0° |
| C17 | C20 | C21 | H21B | 60.0° | 175.0° |
| C17 | C20 | C22 | H22 | 54.8° | 54.9° |
| C21 | C20 | C22 | H20 | 118.2° | 119.9° |
| C21 | C20 | C22 | C23 | 58.4° | 65.1° |
| C21 | C20 | C22 | C28 | 61.2° | 54.9° |
| C21 | C20 | C17 | H17 | 56.8° | 56.2° |
| C20 | C21 | H21 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21B | 120.0° | 120.0° |
| C20 | C21 | H21A | H21B | 120.0° | 120.1° |
| C21 | C20 | C22 | H22 | 180.0° | 174.9° |
| C20 | C22 | C23 | C28 | 122.3° | 120.1° |
| C20 | C22 | C23 | H22 | 118.8° | 120.0° |
| C20 | C22 | C28 | H22 | 118.8° | 120.0° |
| C20 | C22 | C23 | C24 | 127.2° | 64.4° |
| C20 | C22 | C28 | C29 | 101.2° | 175.0° |
| C22 | C20 | C17 | H17 | 67.5° | 63.8° |
| C22 | C20 | C21 | H21 | 54.5° | 65.0° |
| C22 | C20 | C21 | H21A | 65.5° | 175.0° |
| C22 | C20 | C21 | H21B | 174.4° | 55.0° |
| C20 | C22 | C23 | H23 | 112.8° | 175.5° |
| C20 | C22 | C23 | H23A | 7.2° | 55.6° |
| C20 | C22 | C28 | H28 | 18.8° | 54.9° |
| C20 | C22 | C28 | H28A | 138.8° | 65.0° |
| C23 | C22 | C28 | H22 | 121.6° | 119.9° |
| C22 | C23 | C24 | H23 | 120.0° | 120.1° |
| C22 | C23 | C24 | H23A | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 159.3° | 176.3° |
| C23 | C22 | C28 | C29 | 139.2° | 65.0° |
| C23 | C22 | C20 | H20 | 59.8° | 54.8° |
| C22 | C23 | H23 | H23A | 117.8° | 120.0° |
| C22 | C23 | C24 | H24 | 42.4° | 56.3° |
| C23 | C22 | C28 | H28 | 100.8° | 175.0° |
| C23 | C22 | C28 | H28A | 19.2° | 55.0° |
| C28 | C22 | C23 | C24 | 110.5° | 175.5° |
| C22 | C28 | C29 | H28 | 120.0° | 120.0° |
| C22 | C28 | C29 | H28A | 120.0° | 120.0° |
| C22 | C28 | C29 | C30 | 170.2° | 180.0° |
| C28 | C22 | C20 | H20 | 179.4° | 174.9° |
| C28 | C22 | C23 | H23 | 9.5° | 55.5° |
| C28 | C22 | C23 | H23A | 129.5° | 64.5° |
| C22 | C28 | H28 | H28A | 117.3° | 120.0° |
| C22 | C28 | C29 | H29 | 50.2° | 60.0° |
| C22 | C28 | C29 | H29A | 69.8° | 60.0° |
| C23 | C24 | C25 | H24 | 119.4° | 120.0° |
| C23 | C24 | C25 | C26 | 51.1° | 180.0° |
| C23 | C24 | C25 | C27 | 68.5° | 60.0° |
| C23 | C24 | O3 | HO3 | 180.0° | 60.0° |
| C24 | C23 | C22 | H22 | 8.4° | 55.6° |
| C24 | C23 | H23 | H23A | 117.8° | 120.0° |
| C23 | C24 | C25 | H25 | 170.9° | 59.9° |
| C24 | C25 | C26 | C27 | 121.5° | 119.9° |
| C24 | C25 | C26 | H25 | 117.8° | 120.1° |
| C24 | C25 | C27 | H25 | 117.8° | 120.0° |
| C25 | C24 | O3 | HO3 | 56.5° | 60.0° |
| C25 | C24 | C23 | H23 | 80.7° | 63.7° |
| C25 | C24 | C23 | H23A | 39.3° | 56.3° |
| C24 | C25 | C26 | H26 | 180.0° | 60.0° |
| C24 | C25 | C26 | H26A | 60.0° | 180.0° |
| C24 | C25 | C26 | H26B | 60.0° | 60.0° |
| C24 | C25 | C27 | H27 | 180.0° | 60.0° |
| C24 | C25 | C27 | H27A | 60.0° | 180.0° |
| C24 | C25 | C27 | H27B | 60.0° | 60.0° |
| C26 | C25 | C27 | H25 | 119.9° | 120.1° |
| C26 | C25 | C24 | H24 | 170.5° | 60.1° |
| C25 | C26 | H26 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26B | 120.0° | 120.0° |
| C25 | C26 | H26A | H26B | 120.0° | 119.9° |
| C26 | C25 | C27 | H27 | 57.7° | 180.0° |
| C26 | C25 | C27 | H27A | 62.3° | 60.0° |
| C26 | C25 | C27 | H27B | 177.7° | 59.9° |
| C27 | C25 | C24 | H24 | 50.9° | 180.0° |
| C27 | C25 | C26 | H26 | 58.4° | 60.0° |
| C27 | C25 | C26 | H26A | 178.4° | 60.1° |
| C27 | C25 | C26 | H26B | 61.5° | 180.0° |
| C25 | C27 | H27 | H27A | 120.0° | 120.0° |
| C25 | C27 | H27 | H27B | 120.0° | 120.0° |
| C25 | C27 | H27A | H27B | 120.0° | 120.0° |
| C28 | C29 | C30 | H29 | 120.0° | 120.0° |
| C28 | C29 | C30 | H29A | 120.0° | 120.0° |
| C28 | C29 | C30 | C31 | 69.9° | 180.0° |
| C29 | C28 | C22 | H22 | 17.6° | 54.9° |
| C29 | C28 | H28 | H28A | 117.3° | 120.0° |
| C28 | C29 | H29 | H29A | 119.6° | 120.0° |
| C28 | C29 | C30 | H30 | 50.0° | 60.0° |
| C28 | C29 | C30 | H30A | 170.1° | 60.0° |
| C29 | C30 | C31 | H30 | 120.0° | 120.0° |
| C29 | C30 | C31 | H30A | 120.0° | 120.0° |
| C30 | C29 | C28 | H28 | 69.8° | 60.0° |
| C30 | C29 | C28 | H28A | 50.2° | 60.0° |
| C30 | C29 | H29 | H29A | 119.6° | 120.0° |
| C29 | C30 | H30 | H30A | 118.9° | 120.0° |
| C29 | C30 | C31 | H31 | 180.0° | 180.0° |
| C29 | C30 | C31 | H31A | 60.0° | 60.0° |
| C29 | C30 | C31 | H31B | 60.0° | 60.0° |
| C31 | C30 | C29 | H29 | 170.1° | 60.0° |
| C31 | C30 | C29 | H29A | 50.1° | 60.0° |
| C31 | C30 | H30 | H30A | 118.9° | 120.0° |
| C30 | C31 | H31 | H31A | 120.0° | 120.0° |
| C30 | C31 | H31 | H31B | 120.0° | 120.0° |
| C30 | C31 | H31A | H31B | 120.0° | 119.9° |
| HO1 | O1 | C01 | H01 | 60.6° | 59.5° |
| HO2 | O2 | C03 | H03 | 61.4° | 60.2° |
| HO3 | O3 | C24 | H24 | 60.5° | 180.0° |
| H01 | C01 | C02 | H02 | 56.8° | 57.3° |
| H01 | C01 | C02 | H02A | 176.8° | 62.5° |
| H02 | C02 | C03 | H03 | 68.8° | 173.9° |
| H02A | C02 | C03 | H03 | 51.2° | 66.3° |
| H03 | C03 | C04 | H04 | 80.3° | 177.9° |
| H03 | C03 | C04 | H04A | 39.7° | 57.4° |
| H06 | C06 | C07 | H07 | 155.6° | 179.9° |
| H09 | C09 | C11 | H11 | 41.9° | 48.9° |
| H09 | C09 | C11 | H11A | 161.8° | 167.7° |
| H09A | C09 | C11 | H11 | 78.1° | 70.5° |
| H09A | C09 | C11 | H11A | 41.8° | 48.3° |
| H11 | C11 | C12 | H12 | 48.3° | 60.2° |
| H11 | C11 | C12 | H12A | 71.8° | 60.8° |
| H11A | C11 | C12 | H12 | 168.2° | 179.0° |
| H11A | C11 | C12 | H12A | 48.2° | 58.0° |
| H14 | C14 | C15 | H15 | 145.0° | 166.1° |
| H14 | C14 | C15 | H15A | 25.0° | 42.7° |
| H15 | C15 | C16 | H16 | 2.1° | 25.1° |
| H15 | C15 | C16 | H16A | 122.1° | 146.6° |
| H15A | C15 | C16 | H16 | 117.9° | 98.2° |
| H15A | C15 | C16 | H16A | 2.1° | 23.3° |
| H16 | C16 | C17 | H17 | 148.2° | 125.9° |
| H16A | C16 | C17 | H17 | 28.2° | 4.5° |
| H17 | C17 | C20 | H20 | 174.9° | 176.2° |
| H18 | C18 | H18A | H18B | 120.0° | 119.9° |
| H20 | C20 | C21 | H21 | 63.4° | 175.0° |
| H20 | C20 | C21 | H21A | 176.7° | 55.0° |
| H20 | C20 | C21 | H21B | 56.6° | 65.0° |
| H20 | C20 | C22 | H22 | 61.8° | 65.1° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H22 | C22 | C23 | H23 | 128.4° | 64.5° |
| H22 | C22 | C23 | H23A | 111.6° | 175.6° |
| H22 | C22 | C28 | H28 | 137.6° | 65.1° |
| H22 | C22 | C28 | H28A | 102.4° | 175.0° |
| H23 | C23 | C24 | H24 | 162.4° | 176.4° |
| H23A | C23 | C24 | H24 | 77.6° | 63.7° |
| H24 | C24 | C25 | H25 | 69.7° | 60.0° |
| H25 | C25 | C26 | H26 | 62.2° | 180.0° |
| H25 | C25 | C26 | H26A | 57.8° | 59.9° |
| H25 | C25 | C26 | H26B | 177.8° | 60.0° |
| H25 | C25 | C27 | H27 | 62.2° | 60.0° |
| H25 | C25 | C27 | H27A | 177.8° | 60.1° |
| H25 | C25 | C27 | H27B | 57.8° | 180.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H28 | C28 | C29 | H29 | 170.2° | 180.0° |
| H28 | C28 | C29 | H29A | 50.2° | 60.0° |
| H28A | C28 | C29 | H29 | 69.8° | 60.0° |
| H28A | C28 | C29 | H29A | 170.2° | 180.0° |
| H29 | C29 | C30 | H30 | 70.0° | 179.9° |
| H29 | C29 | C30 | H30A | 50.1° | 60.0° |
| H29A | C29 | C30 | H30 | 170.0° | 60.1° |
| H29A | C29 | C30 | H30A | 69.9° | 180.0° |
| H30 | C30 | C31 | H31 | 60.0° | 60.0° |
| H30 | C30 | C31 | H31A | 180.0° | 180.0° |
| H30 | C30 | C31 | H31B | 60.0° | 60.0° |
| H30A | C30 | C31 | H31 | 60.0° | 60.0° |
| H30A | C30 | C31 | H31A | 60.0° | 60.0° |
| H30A | C30 | C31 | H31B | 180.0° | 180.0° |
| H31 | C31 | H31A | H31B | 120.0° | 120.1° |
