OGS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | S27 | doub | 1.42Å | 1.65Å | |
| O30 | S27 | doub | 1.42Å | 1.65Å | |
| S27 | O23 | sing | 1.52Å | 1.66Å | |
| S27 | O29 | sing | 1.52Å | 1.66Å | |
| O23 | C22 | sing | 1.43Å | 1.40Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| O05 | C04 | sing | 1.43Å | 1.40Å | |
| O05 | C06 | sing | 1.43Å | 1.40Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | O07 | sing | 1.43Å | 1.40Å | |
| C22 | C06 | sing | 1.53Å | 1.53Å | |
| C03 | O25 | sing | 1.43Å | 1.40Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | O24 | sing | 1.43Å | 1.40Å | |
| C14 | C11 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | O07 | sing | 1.36Å | 1.41Å | |
| C08 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | O26 | sing | 1.43Å | 1.40Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| O24 | H29 | sing | 0.97Å | 0.95Å | |
| O25 | H30 | sing | 0.97Å | 0.95Å | |
| O26 | H31 | sing | 0.97Å | 0.95Å | |
| O29 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | S27 | O30 | 109.0° | 123.1° |
| O28 | S27 | O23 | 110.4° | 106.4° |
| O28 | S27 | O29 | 110.0° | 106.4° |
| O30 | S27 | O23 | 109.1° | 106.4° |
| O30 | S27 | O29 | 108.2° | 106.4° |
| O23 | S27 | O29 | 110.1° | 107.2° |
| S27 | O23 | C22 | 114.6° | 114.0° |
| S27 | O29 | H32 | 109.5° | 114.0° |
| O23 | C22 | C06 | 110.1° | 109.5° |
| O23 | C22 | H27 | 109.3° | 109.5° |
| O23 | C22 | H28 | 109.3° | 109.4° |
| C20 | C19 | C18 | 109.9° | 109.5° |
| C19 | C20 | C21 | 109.9° | 109.5° |
| C20 | C19 | H20 | 109.4° | 109.5° |
| C20 | C19 | H21 | 109.3° | 109.4° |
| C19 | C20 | H22 | 109.4° | 109.5° |
| C19 | C20 | H23 | 109.3° | 109.4° |
| C19 | C18 | C17 | 107.5° | 109.5° |
| C19 | C18 | H18 | 110.0° | 109.5° |
| C19 | C18 | H19 | 110.0° | 109.4° |
| C18 | C19 | H20 | 109.4° | 109.5° |
| C18 | C19 | H21 | 109.4° | 109.4° |
| C21 | C20 | H22 | 109.3° | 109.5° |
| C21 | C20 | H23 | 109.4° | 109.5° |
| C20 | C21 | H24 | 109.5° | 109.4° |
| C20 | C21 | H25 | 109.4° | 109.4° |
| C20 | C21 | H26 | 109.5° | 109.5° |
| C04 | O05 | C06 | 109.5° | 114.1° |
| O05 | C04 | C03 | 107.0° | 109.4° |
| O05 | C04 | O07 | 109.8° | 109.5° |
| O05 | C04 | H4 | 110.6° | 109.5° |
| O05 | C06 | C22 | 110.7° | 109.5° |
| O05 | C06 | C01 | 109.4° | 109.4° |
| O05 | C06 | H5 | 109.9° | 109.5° |
| C03 | C04 | O07 | 110.0° | 109.5° |
| C04 | C03 | O25 | 112.0° | 109.5° |
| C04 | C03 | C02 | 109.5° | 109.1° |
| C04 | C03 | H3 | 108.0° | 109.6° |
| C03 | C04 | H4 | 108.7° | 109.5° |
| C04 | O07 | C08 | 115.8° | 117.0° |
| O07 | C04 | H4 | 110.6° | 109.5° |
| C22 | C06 | C01 | 110.4° | 109.5° |
| C22 | C06 | H5 | 108.1° | 109.5° |
| C06 | C22 | H27 | 109.3° | 109.5° |
| C06 | C22 | H28 | 109.3° | 109.5° |
| O25 | C03 | C02 | 109.4° | 109.5° |
| O25 | C03 | H3 | 109.8° | 109.6° |
| C03 | O25 | H30 | 109.5° | 114.0° |
| C03 | C02 | C01 | 108.9° | 109.0° |
| C03 | C02 | O26 | 109.6° | 109.5° |
| C03 | C02 | H2 | 108.8° | 109.6° |
| C02 | C03 | H3 | 108.1° | 109.5° |
| C18 | C17 | C16 | 112.2° | 109.5° |
| C18 | C17 | H16 | 108.8° | 109.5° |
| C18 | C17 | H17 | 108.8° | 109.4° |
| C17 | C18 | H18 | 110.0° | 109.5° |
| C17 | C18 | H19 | 110.0° | 109.4° |
| C17 | C16 | C15 | 108.2° | 109.5° |
| C17 | C16 | H14 | 109.8° | 109.4° |
| C17 | C16 | H15 | 109.8° | 109.4° |
| C16 | C17 | H16 | 108.8° | 109.5° |
| C16 | C17 | H17 | 108.8° | 109.5° |
| C13 | C12 | C11 | 120.3° | 120.0° |
| C12 | C13 | C08 | 120.7° | 120.0° |
| C13 | C12 | H8 | 119.8° | 120.0° |
| C12 | C13 | H9 | 119.6° | 120.0° |
| C12 | C11 | C14 | 120.2° | 119.9° |
| C12 | C11 | C10 | 119.3° | 120.1° |
| C11 | C12 | H8 | 119.9° | 120.0° |
| C13 | C08 | O07 | 122.6° | 120.1° |
| C13 | C08 | C09 | 118.6° | 119.9° |
| C08 | C13 | H9 | 119.7° | 120.0° |
| C06 | C01 | C02 | 108.6° | 109.2° |
| C06 | C01 | O24 | 109.8° | 109.6° |
| C06 | C01 | H1 | 108.6° | 109.6° |
| C01 | C06 | H5 | 108.2° | 109.5° |
| C02 | C01 | O24 | 110.9° | 109.5° |
| C01 | C02 | O26 | 110.0° | 109.6° |
| C02 | C01 | H1 | 108.6° | 109.5° |
| C01 | C02 | H2 | 108.8° | 109.5° |
| O24 | C01 | H1 | 110.4° | 109.5° |
| C01 | O24 | H29 | 109.5° | 114.0° |
| C11 | C14 | C15 | 110.5° | 109.5° |
| C14 | C11 | C10 | 120.5° | 120.0° |
| C11 | C14 | H10 | 109.2° | 109.5° |
| C11 | C14 | H11 | 109.2° | 109.4° |
| C14 | C15 | C16 | 110.5° | 109.4° |
| C15 | C14 | H10 | 109.2° | 109.5° |
| C15 | C14 | H11 | 109.2° | 109.5° |
| C14 | C15 | H12 | 109.2° | 109.5° |
| C14 | C15 | H13 | 109.2° | 109.5° |
| C11 | C10 | C09 | 120.3° | 120.1° |
| C11 | C10 | H7 | 119.9° | 119.9° |
| O07 | C08 | C09 | 118.8° | 120.1° |
| C08 | C09 | C10 | 120.9° | 119.9° |
| C08 | C09 | H6 | 119.6° | 120.0° |
| O26 | C02 | H2 | 110.7° | 109.5° |
| C02 | O26 | H31 | 109.5° | 114.0° |
| C16 | C15 | H12 | 109.2° | 109.5° |
| C16 | C15 | H13 | 109.2° | 109.5° |
| C15 | C16 | H14 | 109.8° | 109.5° |
| C15 | C16 | H15 | 109.8° | 109.5° |
| C10 | C09 | H6 | 119.6° | 120.0° |
| C09 | C10 | H7 | 119.9° | 120.0° |
| H10 | C14 | H11 | 109.4° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H26 | 109.5° | 109.6° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | S27 | O30 | O23 | 120.6° | 123.0° |
| O28 | S27 | O30 | O29 | 119.7° | 122.9° |
| O28 | S27 | O23 | O29 | 121.7° | 113.6° |
| O28 | S27 | O23 | C22 | 167.1° | 38.5° |
| O28 | S27 | O29 | H32 | 119.0° | 66.4° |
| O30 | S27 | O23 | O29 | 118.5° | 113.5° |
| O30 | S27 | O23 | C22 | 47.4° | 171.5° |
| O30 | S27 | O29 | H32 | 0.0° | 66.5° |
| S27 | O23 | C22 | C06 | 169.2° | 180.0° |
| S27 | O23 | C22 | H27 | 70.7° | 60.0° |
| S27 | O23 | C22 | H28 | 49.1° | 60.0° |
| O23 | S27 | O29 | H32 | 119.1° | 180.0° |
| O29 | S27 | O23 | C22 | 71.2° | 75.0° |
| O23 | C22 | C06 | O05 | 59.3° | 65.1° |
| O23 | C22 | C06 | H27 | 120.1° | 120.1° |
| O23 | C22 | C06 | H28 | 120.1° | 120.0° |
| O23 | C22 | C06 | C01 | 62.0° | 175.0° |
| O23 | C22 | C06 | H5 | 179.7° | 55.0° |
| O23 | C22 | H27 | H28 | 119.7° | 119.9° |
| C20 | C19 | C18 | H20 | 120.1° | 120.1° |
| C20 | C19 | C18 | H21 | 120.0° | 119.9° |
| C19 | C20 | C21 | H22 | 120.1° | 120.0° |
| C19 | C20 | C21 | H23 | 120.0° | 119.9° |
| C20 | C19 | C18 | C17 | 140.4° | NaN° |
| C20 | C19 | C18 | H18 | 99.9° | 59.9° |
| C20 | C19 | C18 | H19 | 20.7° | 60.1° |
| C20 | C19 | H20 | H21 | 119.8° | 120.0° |
| C19 | C20 | H22 | H23 | 119.8° | 120.0° |
| C19 | C20 | C21 | H24 | 180.0° | 60.1° |
| C19 | C20 | C21 | H25 | 60.0° | 180.0° |
| C19 | C20 | C21 | H26 | 60.0° | 60.0° |
| C18 | C19 | C20 | C21 | 107.1° | 180.0° |
| C19 | C18 | C17 | H18 | 119.7° | 120.1° |
| C19 | C18 | C17 | H19 | 119.7° | 120.0° |
| C19 | C18 | C17 | C16 | 158.6° | 180.0° |
| C19 | C18 | C17 | H16 | 81.0° | 59.9° |
| C19 | C18 | C17 | H17 | 38.2° | 60.0° |
| C19 | C18 | H18 | H19 | 120.9° | 120.0° |
| C18 | C19 | H20 | H21 | 119.8° | 120.0° |
| C18 | C19 | C20 | H22 | 12.9° | 59.9° |
| C18 | C19 | C20 | H23 | 132.8° | 60.0° |
| C21 | C20 | C19 | H20 | 12.9° | 60.0° |
| C21 | C20 | C19 | H21 | 132.8° | 60.0° |
| C21 | C20 | H22 | H23 | 119.8° | 120.0° |
| C20 | C21 | H24 | H25 | 120.0° | 119.9° |
| C20 | C21 | H24 | H26 | 120.0° | 120.0° |
| C20 | C21 | H25 | H26 | 120.0° | 120.0° |
| O05 | C04 | C03 | O07 | 119.2° | 120.0° |
| O05 | C04 | C03 | H4 | 119.5° | 119.9° |
| O05 | C04 | O07 | H4 | 122.3° | 120.0° |
| C04 | O05 | C06 | C22 | 168.2° | 178.9° |
| O05 | C04 | C03 | O25 | 177.1° | 177.5° |
| O05 | C04 | C03 | C02 | 61.4° | 57.7° |
| C04 | O05 | C06 | C01 | 69.8° | 61.2° |
| O05 | C04 | O07 | C08 | 78.1° | 70.0° |
| O05 | C04 | C03 | H3 | 56.1° | 62.3° |
| C04 | O05 | C06 | H5 | 48.8° | 58.8° |
| C06 | O05 | C04 | C03 | 69.4° | 61.2° |
| C06 | O05 | C04 | O07 | 49.9° | 58.8° |
| O05 | C06 | C22 | C01 | 121.3° | 119.9° |
| O05 | C06 | C22 | H5 | 120.4° | 120.0° |
| O05 | C06 | C01 | H5 | 119.7° | 120.0° |
| O05 | C06 | C01 | C02 | 59.9° | 57.6° |
| O05 | C06 | C01 | O24 | 178.8° | 177.5° |
| O05 | C06 | C01 | H1 | 58.0° | 62.3° |
| C06 | O05 | C04 | H4 | 172.3° | 178.8° |
| O05 | C06 | C22 | H27 | 179.4° | 174.9° |
| O05 | C06 | C22 | H28 | 60.8° | 54.9° |
| C03 | C04 | O07 | H4 | 120.1° | 120.0° |
| C04 | C03 | O25 | C02 | 121.6° | 119.6° |
| C04 | C03 | O25 | H3 | 120.0° | 120.2° |
| C04 | C03 | C02 | H3 | 117.4° | 120.0° |
| C04 | C03 | C02 | C01 | 53.9° | 57.0° |
| C03 | C04 | O07 | C08 | 164.4° | 170.0° |
| C04 | C03 | C02 | O26 | 174.3° | 176.9° |
| C04 | C03 | C02 | H2 | 64.6° | 62.9° |
| C04 | C03 | O25 | H30 | 180.0° | 60.4° |
| O07 | C04 | C03 | O25 | 63.7° | 57.5° |
| O07 | C04 | C03 | C02 | 57.8° | 62.4° |
| C04 | O07 | C08 | C13 | 44.4° | 0.3° |
| C04 | O07 | C08 | C09 | 136.6° | 180.0° |
| O07 | C04 | C03 | H3 | 175.3° | 177.7° |
| C22 | C06 | C01 | H5 | 118.2° | 120.0° |
| C22 | C06 | C01 | C02 | 178.0° | 177.6° |
| C22 | C06 | C01 | O24 | 56.7° | 62.5° |
| C22 | C06 | C01 | H1 | 64.1° | 57.7° |
| C06 | C22 | H27 | H28 | 119.7° | 120.0° |
| O25 | C03 | C02 | H3 | 119.5° | 120.2° |
| O25 | C03 | C02 | C01 | 177.0° | 176.8° |
| O25 | C03 | C02 | O26 | 62.7° | 63.3° |
| O25 | C03 | C02 | H2 | 58.5° | 56.9° |
| O25 | C03 | C04 | H4 | 57.6° | 62.6° |
| C03 | C02 | C01 | C06 | 52.4° | 57.0° |
| C03 | C02 | C01 | O26 | 120.1° | 119.9° |
| C03 | C02 | C01 | H2 | 118.5° | 120.0° |
| C03 | C02 | C01 | O24 | 173.0° | 176.9° |
| C03 | C02 | O26 | H2 | 120.0° | 120.3° |
| C03 | C02 | C01 | H1 | 65.6° | 63.0° |
| C02 | C03 | C04 | H4 | 179.1° | 177.6° |
| C02 | C03 | O25 | H30 | 58.5° | 180.0° |
| C03 | C02 | O26 | H31 | 180.0° | 60.4° |
| C18 | C17 | C16 | H16 | 120.4° | 120.0° |
| C18 | C17 | C16 | H17 | 120.4° | 120.0° |
| C18 | C17 | C16 | C15 | 172.4° | 180.0° |
| C18 | C17 | C16 | H14 | 67.8° | 60.0° |
| C18 | C17 | C16 | H15 | 52.6° | 60.1° |
| C18 | C17 | H16 | H17 | 118.8° | 119.9° |
| C17 | C18 | H18 | H19 | 120.9° | 120.0° |
| C17 | C18 | C19 | H20 | 20.3° | 59.9° |
| C17 | C18 | C19 | H21 | 99.6° | 60.1° |
| C17 | C16 | C15 | C14 | 128.0° | 180.0° |
| C17 | C16 | C15 | H14 | 119.8° | 120.0° |
| C17 | C16 | C15 | H15 | 119.8° | 119.9° |
| C17 | C16 | C15 | H12 | 7.9° | 60.0° |
| C17 | C16 | C15 | H13 | 111.8° | 60.0° |
| C17 | C16 | H14 | H15 | 120.6° | 120.0° |
| C16 | C17 | H16 | H17 | 118.8° | 120.0° |
| C16 | C17 | C18 | H18 | 38.9° | 59.9° |
| C16 | C17 | C18 | H19 | 81.7° | 60.0° |
| C13 | C12 | C11 | H8 | 180.0° | 179.5° |
| C12 | C13 | C08 | H9 | 180.0° | 179.4° |
| C13 | C12 | C11 | C14 | 179.7° | 179.7° |
| C13 | C12 | C11 | C10 | 0.7° | 0.3° |
| C12 | C13 | C08 | O07 | 178.9° | 179.7° |
| C12 | C13 | C08 | C09 | 0.1° | 0.6° |
| C11 | C12 | C13 | C08 | 0.5° | 0.6° |
| C12 | C11 | C14 | C10 | 179.7° | 180.0° |
| C12 | C11 | C14 | C15 | 146.4° | 90.0° |
| C12 | C11 | C10 | C09 | 0.6° | 0.0° |
| C12 | C11 | C10 | H7 | 179.4° | 180.0° |
| C11 | C12 | C13 | H9 | 179.5° | 180.0° |
| C12 | C11 | C14 | H10 | 93.4° | 30.0° |
| C12 | C11 | C14 | H11 | 26.2° | 150.0° |
| C13 | C08 | O07 | C09 | 179.0° | 179.7° |
| C13 | C08 | C09 | C10 | 0.0° | 0.3° |
| C13 | C08 | C09 | H6 | 180.0° | 179.8° |
| C08 | C13 | C12 | H8 | 179.6° | 180.0° |
| C06 | C01 | C02 | O24 | 120.7° | 120.0° |
| C06 | C01 | C02 | H1 | 117.9° | 120.0° |
| C06 | C01 | O24 | H1 | 119.7° | 120.2° |
| C06 | C01 | C02 | O26 | 172.5° | 176.9° |
| C06 | C01 | C02 | H2 | 66.1° | 63.0° |
| C01 | C06 | C22 | H27 | 58.1° | 55.0° |
| C01 | C06 | C22 | H28 | 177.9° | 65.0° |
| C06 | C01 | O24 | H29 | 180.0° | 179.7° |
| C02 | C01 | O24 | H1 | 120.3° | 120.1° |
| C01 | C02 | O26 | H2 | 120.3° | 120.1° |
| C01 | C02 | C03 | H3 | 63.5° | 63.0° |
| C02 | C01 | C06 | H5 | 59.8° | 62.4° |
| C02 | C01 | O24 | H29 | 60.0° | 59.9° |
| C01 | C02 | O26 | H31 | 60.3° | 180.0° |
| O24 | C01 | C02 | O26 | 66.8° | 63.2° |
| O24 | C01 | C02 | H2 | 54.6° | 57.0° |
| O24 | C01 | C06 | H5 | 61.5° | 57.6° |
| C11 | C14 | C15 | H10 | 120.2° | 120.0° |
| C11 | C14 | C15 | H11 | 120.2° | 119.9° |
| C11 | C14 | C15 | C16 | 179.6° | 180.0° |
| C14 | C11 | C10 | C09 | 179.8° | 180.0° |
| C14 | C11 | C10 | H7 | 0.3° | 0.0° |
| C14 | C11 | C12 | H8 | 0.3° | 0.2° |
| C11 | C14 | H10 | H11 | 119.6° | 119.9° |
| C11 | C14 | C15 | H12 | 59.5° | 60.0° |
| C11 | C14 | C15 | H13 | 60.2° | 60.0° |
| C15 | C14 | C11 | C10 | 33.9° | 90.0° |
| C14 | C15 | C16 | H12 | 120.1° | 120.0° |
| C14 | C15 | C16 | H13 | 120.1° | 120.0° |
| C15 | C14 | H10 | H11 | 119.5° | 120.0° |
| C14 | C15 | H12 | H13 | 119.5° | 120.0° |
| C14 | C15 | C16 | H14 | 8.2° | 60.0° |
| C14 | C15 | C16 | H15 | 112.1° | 60.1° |
| C11 | C10 | C09 | C08 | 0.2° | 0.0° |
| C11 | C10 | C09 | H7 | 180.0° | 180.0° |
| C11 | C10 | C09 | H6 | 179.8° | 179.9° |
| C10 | C11 | C12 | H8 | 179.3° | 179.7° |
| C10 | C11 | C14 | H10 | 86.2° | 150.0° |
| C10 | C11 | C14 | H11 | 154.1° | 30.0° |
| O07 | C08 | C09 | C10 | 179.1° | 180.0° |
| C08 | O07 | C04 | H4 | 44.2° | 50.0° |
| O07 | C08 | C09 | H6 | 0.9° | 0.1° |
| O07 | C08 | C13 | H9 | 1.1° | 0.3° |
| C08 | C09 | C10 | H6 | 180.0° | 179.9° |
| C08 | C09 | C10 | H7 | 179.8° | 180.0° |
| C09 | C08 | C13 | H9 | 179.9° | 180.0° |
| O26 | C02 | C01 | H1 | 54.6° | 56.9° |
| O26 | C02 | C03 | H3 | 56.8° | 56.9° |
| C16 | C15 | C14 | H10 | 60.2° | 60.0° |
| C16 | C15 | C14 | H11 | 59.5° | 60.0° |
| C16 | C15 | H12 | H13 | 119.5° | 120.0° |
| C15 | C16 | H14 | H15 | 120.5° | 120.1° |
| C15 | C16 | C17 | H16 | 52.0° | 60.0° |
| C15 | C16 | C17 | H17 | 67.2° | 60.0° |
| H1 | C01 | C02 | H2 | 176.0° | 177.1° |
| H1 | C01 | C06 | H5 | 177.7° | 177.7° |
| H1 | C01 | O24 | H29 | 60.3° | 60.1° |
| H2 | C02 | C03 | H3 | 178.0° | 177.1° |
| H2 | C02 | O26 | H31 | 60.0° | 59.9° |
| H3 | C03 | C04 | H4 | 63.4° | 57.7° |
| H3 | C03 | O25 | H30 | 60.0° | 59.8° |
| H5 | C06 | C22 | H27 | 60.2° | 65.1° |
| H5 | C06 | C22 | H28 | 59.6° | 175.0° |
| H6 | C09 | C10 | H7 | 0.3° | 0.1° |
| H8 | C12 | C13 | H9 | 0.4° | 0.6° |
| H10 | C14 | C15 | H12 | 179.6° | 180.0° |
| H10 | C14 | C15 | H13 | 60.0° | 60.0° |
| H11 | C14 | C15 | H12 | 60.7° | 59.9° |
| H11 | C14 | C15 | H13 | 179.6° | 180.0° |
| H12 | C15 | C16 | H14 | 111.9° | 180.0° |
| H12 | C15 | C16 | H15 | 127.7° | 59.9° |
| H13 | C15 | C16 | H14 | 128.4° | 59.9° |
| H13 | C15 | C16 | H15 | 8.0° | 180.0° |
| H14 | C16 | C17 | H16 | 171.8° | 180.0° |
| H14 | C16 | C17 | H17 | 52.6° | 60.0° |
| H15 | C16 | C17 | H16 | 67.8° | 60.0° |
| H15 | C16 | C17 | H17 | 173.0° | 180.0° |
| H16 | C17 | C18 | H18 | 159.3° | 180.0° |
| H16 | C17 | C18 | H19 | 38.7° | 60.0° |
| H17 | C17 | C18 | H18 | 81.5° | 60.0° |
| H17 | C17 | C18 | H19 | 157.9° | 180.0° |
| H18 | C18 | C19 | H20 | 140.0° | NaN° |
| H18 | C18 | C19 | H21 | 20.1° | 60.0° |
| H19 | C18 | C19 | H20 | 99.4° | 60.0° |
| H19 | C18 | C19 | H21 | 140.7° | 180.0° |
| H20 | C19 | C20 | H22 | 133.0° | 180.0° |
| H20 | C19 | C20 | H23 | 107.1° | 60.0° |
| H21 | C19 | C20 | H22 | 107.1° | 60.0° |
| H21 | C19 | C20 | H23 | 12.7° | NaN° |
| H22 | C20 | C21 | H24 | 59.9° | 59.9° |
| H22 | C20 | C21 | H25 | 179.9° | 60.0° |
| H22 | C20 | C21 | H26 | 60.1° | 180.0° |
| H23 | C20 | C21 | H24 | 60.0° | 180.0° |
| H23 | C20 | C21 | H25 | 60.1° | 60.1° |
| H23 | C20 | C21 | H26 | 180.0° | 59.9° |
| H24 | C21 | H25 | H26 | 120.0° | 120.1° |
