X3I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| C26 | O28 | doub | 1.21Å | 1.21Å | |
| C26 | C25 | sing | 1.51Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C22 | sing | 1.53Å | 1.62Å | |
| C23 | C22 | sing | 1.53Å | 1.59Å | |
| C22 | C21 | sing | 1.53Å | 1.37Å | |
| C21 | C29 | sing | 1.55Å | 1.71Å | |
| C21 | C19 | sing | 1.53Å | 1.63Å | |
| C29 | C30 | sing | 1.56Å | 1.59Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.52Å | 1.51Å | |
| C19 | C01 | sing | 1.55Å | 1.58Å | |
| C18 | C17 | sing | 1.54Å | 1.70Å | |
| C30 | C01 | sing | 1.53Å | 1.62Å | |
| C01 | C02 | sing | 1.52Å | 1.54Å | |
| C17 | C16 | sing | 1.52Å | 1.49Å | |
| C02 | C16 | sing | 1.54Å | 1.66Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C16 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.60Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C05 | sing | 1.53Å | 1.57Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C07 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.61Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | O08 | sing | 1.43Å | 1.39Å | |
| O08 | C09 | sing | 1.43Å | 1.42Å | |
| C27 | F1 | sing | 1.40Å | 1.78Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C06 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C09 | C1 | sing | 1.47Å | 11.10Å | |
| C1 | C2 | trip | 1.17Å | 0.00Å | |
| C2 | H27 | sing | 1.05Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | O28 | 119.7° | 120.0° |
| C27 | C26 | C25 | 115.8° | 120.0° |
| C26 | C27 | F1 | 111.9° | 109.5° |
| C26 | C27 | H38 | 108.8° | 109.5° |
| C26 | C27 | H39 | 108.9° | 109.5° |
| O28 | C26 | C25 | 124.3° | 120.0° |
| C26 | C25 | C24 | 106.7° | 109.5° |
| C26 | C25 | H36 | 110.2° | 109.5° |
| C26 | C25 | H37 | 110.2° | 109.5° |
| C25 | C24 | C22 | 115.9° | 109.5° |
| C25 | C24 | H13 | 107.8° | 109.5° |
| C25 | C24 | H14 | 107.8° | 109.4° |
| C24 | C25 | H36 | 110.2° | 109.5° |
| C24 | C25 | H37 | 110.1° | 109.4° |
| C24 | C22 | C23 | 109.0° | 109.5° |
| C24 | C22 | C21 | 105.1° | 109.4° |
| C24 | C22 | H12 | 108.9° | 109.5° |
| C22 | C24 | H13 | 107.8° | 109.5° |
| C22 | C24 | H14 | 107.8° | 109.5° |
| C23 | C22 | C21 | 111.9° | 109.5° |
| C23 | C22 | H12 | 109.2° | 109.5° |
| C22 | C23 | H33 | 109.5° | 109.5° |
| C22 | C23 | H34 | 109.4° | 109.5° |
| C22 | C23 | H35 | 109.5° | 109.5° |
| C22 | C21 | C29 | 111.5° | 110.3° |
| C22 | C21 | C19 | 114.8° | 110.2° |
| C22 | C21 | H11 | 111.7° | 110.3° |
| C21 | C22 | H12 | 112.6° | 109.5° |
| C29 | C21 | C19 | 103.3° | 105.3° |
| C21 | C29 | C30 | 106.4° | 106.8° |
| C29 | C21 | H11 | 107.1° | 110.3° |
| C21 | C29 | H40 | 110.3° | 110.0° |
| C21 | C29 | H41 | 110.2° | 110.0° |
| C21 | C19 | C20 | 105.9° | 109.8° |
| C21 | C19 | C18 | 121.3° | 116.6° |
| C21 | C19 | C01 | 103.2° | 103.3° |
| C19 | C21 | H11 | 108.0° | 110.3° |
| C29 | C30 | C01 | 105.9° | 102.6° |
| C30 | C29 | H40 | 110.3° | 109.4° |
| C30 | C29 | H41 | 110.2° | 110.4° |
| C29 | C30 | H42 | 110.3° | 110.8° |
| C29 | C30 | H43 | 110.3° | 110.7° |
| C20 | C19 | C18 | 106.6° | 109.7° |
| C20 | C19 | C01 | 105.4° | 109.8° |
| C19 | C20 | H8 | 109.5° | 109.5° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C19 | C20 | H10 | 109.4° | 109.5° |
| C18 | C19 | C01 | 113.2° | 107.4° |
| C19 | C18 | C17 | 112.2° | 107.3° |
| C19 | C18 | H31 | 108.8° | 109.9° |
| C19 | C18 | H32 | 108.8° | 109.9° |
| C19 | C01 | C30 | 106.9° | 102.3° |
| C19 | C01 | C02 | 113.1° | 107.0° |
| C19 | C01 | H15 | 104.8° | 110.5° |
| C18 | C17 | C16 | 110.7° | 111.4° |
| C18 | C17 | H6 | 109.2° | 109.1° |
| C18 | C17 | H7 | 109.1° | 109.0° |
| C17 | C18 | H31 | 108.8° | 109.9° |
| C17 | C18 | H32 | 108.8° | 109.9° |
| C30 | C01 | C02 | 120.9° | 115.8° |
| C30 | C01 | H15 | 104.4° | 110.4° |
| C01 | C30 | H42 | 110.3° | 110.0° |
| C01 | C30 | H43 | 110.3° | 111.8° |
| C01 | C02 | C16 | 110.8° | 107.2° |
| C01 | C02 | C03 | 111.0° | 110.4° |
| C02 | C01 | H15 | 105.2° | 110.3° |
| C01 | C02 | H16 | 107.5° | 109.7° |
| C17 | C16 | C02 | 111.9° | 111.6° |
| C17 | C16 | C14 | 109.9° | 110.0° |
| C16 | C17 | H6 | 109.2° | 109.1° |
| C16 | C17 | H7 | 109.2° | 109.1° |
| C17 | C16 | H30 | 108.8° | 108.9° |
| C16 | C02 | C03 | 113.0° | 109.1° |
| C02 | C16 | C14 | 111.2° | 109.1° |
| C16 | C02 | H16 | 106.3° | 109.7° |
| C02 | C16 | H30 | 106.8° | 108.3° |
| C02 | C03 | C04 | 112.1° | 109.4° |
| C03 | C02 | H16 | 107.9° | 110.6° |
| C02 | C03 | H17 | 108.8° | 109.5° |
| C02 | C03 | H18 | 108.8° | 109.5° |
| C16 | C14 | C15 | 107.3° | 109.5° |
| C16 | C14 | C13 | 108.5° | 109.5° |
| C16 | C14 | C05 | 111.0° | 109.4° |
| C14 | C16 | H30 | 108.0° | 108.8° |
| C15 | C14 | C13 | 107.4° | 109.5° |
| C15 | C14 | C05 | 110.6° | 109.5° |
| C14 | C15 | H3 | 109.5° | 109.5° |
| C14 | C15 | H4 | 109.4° | 109.5° |
| C14 | C15 | H5 | 109.4° | 109.5° |
| C03 | C04 | C05 | 111.3° | 109.6° |
| C04 | C03 | H17 | 108.8° | 109.5° |
| C04 | C03 | H18 | 108.8° | 109.5° |
| C03 | C04 | H19 | 109.0° | 109.4° |
| C03 | C04 | H20 | 109.0° | 109.5° |
| C13 | C14 | C05 | 111.9° | 109.5° |
| C14 | C13 | C12 | 111.5° | 109.4° |
| C14 | C13 | H1 | 109.0° | 109.5° |
| C14 | C13 | H2 | 109.0° | 109.5° |
| C14 | C05 | C04 | 113.6° | 109.4° |
| C14 | C05 | C06 | 111.0° | 109.4° |
| C14 | C05 | H21 | 107.7° | 109.6° |
| C13 | C12 | C07 | 109.9° | 109.5° |
| C12 | C13 | H1 | 108.9° | 109.5° |
| C12 | C13 | H2 | 108.9° | 109.4° |
| C13 | C12 | H28 | 109.4° | 109.5° |
| C13 | C12 | H29 | 109.4° | 109.5° |
| C12 | C07 | C06 | 109.6° | 109.5° |
| C12 | C07 | O08 | 109.3° | 109.5° |
| C12 | C07 | H24 | 107.9° | 109.5° |
| C07 | C12 | H28 | 109.3° | 109.5° |
| C07 | C12 | H29 | 109.4° | 109.4° |
| C04 | C05 | C06 | 108.8° | 109.4° |
| C05 | C04 | H19 | 109.0° | 109.5° |
| C05 | C04 | H20 | 109.0° | 109.4° |
| C04 | C05 | H21 | 107.3° | 109.5° |
| C05 | C06 | C07 | 109.5° | 109.4° |
| C06 | C05 | H21 | 108.2° | 109.4° |
| C05 | C06 | H22 | 109.5° | 109.4° |
| C05 | C06 | H23 | 109.5° | 109.5° |
| C06 | C07 | O08 | 112.1° | 109.5° |
| C07 | C06 | H22 | 109.4° | 109.5° |
| C07 | C06 | H23 | 109.4° | 109.5° |
| C06 | C07 | H24 | 107.9° | 109.5° |
| C07 | O08 | C09 | 114.8° | 114.0° |
| O08 | C07 | H24 | 109.9° | 109.5° |
| O08 | C09 | H25 | 95.7° | 109.5° |
| O08 | C09 | H26 | 95.7° | 109.5° |
| O08 | C09 | C1 | 160.1° | 109.5° |
| F1 | C27 | H38 | 108.9° | 109.5° |
| F1 | C27 | H39 | 108.8° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H3 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C17 | H7 | 109.5° | 109.1° |
| H8 | C20 | H9 | 109.4° | 109.4° |
| H8 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H17 | C03 | H18 | 109.5° | 109.5° |
| H19 | C04 | H20 | 109.5° | 109.4° |
| H22 | C06 | H23 | 109.5° | 109.5° |
| H25 | C09 | H26 | 109.5° | 109.5° |
| H25 | C09 | C1 | 95.7° | 109.5° |
| H26 | C09 | C1 | 95.7° | 109.5° |
| H28 | C12 | H29 | 109.4° | 109.4° |
| H31 | C18 | H32 | 109.5° | 109.9° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| H33 | C23 | H35 | 109.5° | 109.4° |
| H34 | C23 | H35 | 109.5° | 109.4° |
| H36 | C25 | H37 | 109.4° | 109.5° |
| H38 | C27 | H39 | 109.5° | 109.4° |
| H40 | C29 | H41 | 109.4° | 110.1° |
| H42 | C30 | H43 | 109.5° | 110.8° |
| C09 | C1 | C2 | 90.0° | 180.0° |
| C1 | C2 | H27 | 90.0° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | O28 | C25 | 175.3° | 180.0° |
| C27 | C26 | C25 | C24 | 96.2° | 180.0° |
| C26 | C27 | F1 | H38 | 120.4° | 120.0° |
| C26 | C27 | F1 | H39 | 120.4° | 120.0° |
| C27 | C26 | C25 | H36 | 23.4° | 60.0° |
| C27 | C26 | C25 | H37 | 144.3° | 60.0° |
| C26 | C27 | H38 | H39 | 118.9° | 120.0° |
| O28 | C26 | C25 | C24 | 79.3° | 0.0° |
| O28 | C26 | C27 | F1 | 64.7° | 0.0° |
| O28 | C26 | C25 | H36 | 161.1° | 120.0° |
| O28 | C26 | C25 | H37 | 40.3° | 120.0° |
| O28 | C26 | C27 | H38 | 55.7° | 120.0° |
| O28 | C26 | C27 | H39 | 175.0° | 120.1° |
| C26 | C25 | C24 | H36 | 119.6° | 120.0° |
| C26 | C25 | C24 | H37 | 119.6° | 120.0° |
| C26 | C25 | C24 | C22 | 175.7° | 180.0° |
| C25 | C26 | C27 | F1 | 111.0° | 180.0° |
| C26 | C25 | C24 | H13 | 63.4° | 60.0° |
| C26 | C25 | C24 | H14 | 54.7° | 60.0° |
| C26 | C25 | H36 | H37 | 121.3° | 120.0° |
| C25 | C26 | C27 | H38 | 128.6° | 60.0° |
| C25 | C26 | C27 | H39 | 9.3° | 60.0° |
| C25 | C24 | C22 | H13 | 120.9° | 120.0° |
| C25 | C24 | C22 | H14 | 120.9° | 119.9° |
| C25 | C24 | C22 | C23 | 19.9° | 65.0° |
| C25 | C24 | C22 | C21 | 140.0° | 175.0° |
| C25 | C24 | C22 | H12 | 99.1° | 55.1° |
| C25 | C24 | H13 | H14 | 117.0° | 120.0° |
| C24 | C25 | H36 | H37 | 121.2° | 120.0° |
| C24 | C22 | C23 | C21 | 115.8° | 120.0° |
| C24 | C22 | C23 | H12 | 118.8° | 120.0° |
| C24 | C22 | C21 | H12 | 118.4° | 120.0° |
| C24 | C22 | C21 | C29 | 47.9° | 61.5° |
| C24 | C22 | C21 | C19 | 164.9° | 177.3° |
| C24 | C22 | C21 | H11 | 71.8° | 60.7° |
| C22 | C24 | H13 | H14 | 117.1° | 120.0° |
| C24 | C22 | C23 | H33 | 180.0° | 60.0° |
| C24 | C22 | C23 | H34 | 60.0° | 60.0° |
| C24 | C22 | C23 | H35 | 60.0° | 180.0° |
| C22 | C24 | C25 | H36 | 56.1° | 60.0° |
| C22 | C24 | C25 | H37 | 64.7° | 60.0° |
| C23 | C22 | C21 | H12 | 123.5° | 120.0° |
| C23 | C22 | C21 | C29 | 166.0° | 178.5° |
| C23 | C22 | C21 | C19 | 77.0° | 62.7° |
| C23 | C22 | C21 | H11 | 46.3° | 59.4° |
| C23 | C22 | C24 | H13 | 101.0° | 175.0° |
| C23 | C22 | C24 | H14 | 140.9° | 55.0° |
| C22 | C23 | H33 | H34 | 120.0° | 120.0° |
| C22 | C23 | H33 | H35 | 120.0° | 120.0° |
| C22 | C23 | H34 | H35 | 120.0° | 120.0° |
| C22 | C21 | C29 | C19 | 123.8° | 118.9° |
| C22 | C21 | C29 | H11 | 122.4° | 122.1° |
| C22 | C21 | C19 | H11 | 125.2° | 122.1° |
| C22 | C21 | C29 | C30 | 140.7° | 123.0° |
| C22 | C21 | C19 | C20 | 44.3° | 31.2° |
| C22 | C21 | C19 | C18 | 77.1° | 94.3° |
| C22 | C21 | C19 | C01 | 154.8° | 148.2° |
| C21 | C22 | C24 | H13 | 19.1° | 55.0° |
| C21 | C22 | C24 | H14 | 99.0° | 65.0° |
| C21 | C22 | C23 | H33 | 64.2° | 180.0° |
| C21 | C22 | C23 | H34 | 175.8° | 60.0° |
| C21 | C22 | C23 | H35 | 55.8° | 60.0° |
| C22 | C21 | C29 | H40 | 99.7° | 118.3° |
| C22 | C21 | C29 | H41 | 21.2° | 3.1° |
| C29 | C21 | C19 | H11 | 113.2° | 119.0° |
| C21 | C29 | C30 | H40 | 119.5° | 119.0° |
| C21 | C29 | C30 | H41 | 119.5° | 119.6° |
| C29 | C21 | C19 | C20 | 77.2° | 87.8° |
| C29 | C21 | C19 | C18 | 161.4° | 146.7° |
| C29 | C21 | C19 | C01 | 33.3° | 29.3° |
| C21 | C29 | C30 | C01 | 5.7° | 22.9° |
| C29 | C21 | C22 | H12 | 70.5° | 58.5° |
| C21 | C29 | H40 | H41 | 121.4° | 121.5° |
| C21 | C29 | C30 | H42 | 125.1° | 94.4° |
| C21 | C29 | C30 | H43 | 113.7° | 142.3° |
| C19 | C21 | C29 | C30 | 17.0° | 4.1° |
| C21 | C19 | C20 | C18 | 130.4° | 129.3° |
| C21 | C19 | C20 | C01 | 109.0° | 112.9° |
| C21 | C19 | C18 | C01 | 123.5° | 115.2° |
| C21 | C19 | C18 | C17 | 173.8° | 179.6° |
| C21 | C19 | C01 | C30 | 38.5° | 44.1° |
| C21 | C19 | C01 | C02 | 174.0° | 166.3° |
| C21 | C19 | C20 | H8 | 180.0° | 61.4° |
| C21 | C19 | C20 | H9 | 60.0° | 178.5° |
| C21 | C19 | C20 | H10 | 60.0° | 58.6° |
| C19 | C21 | C22 | H12 | 46.5° | 57.3° |
| C21 | C19 | C01 | H15 | 71.9° | 73.5° |
| C21 | C19 | C18 | H31 | 65.8° | 60.1° |
| C21 | C19 | C18 | H32 | 53.4° | 60.9° |
| C19 | C21 | C29 | H40 | 136.5° | 122.7° |
| C19 | C21 | C29 | H41 | 102.5° | 115.8° |
| C29 | C30 | C01 | C19 | 27.7° | 40.7° |
| C29 | C30 | C01 | H42 | 119.4° | 117.9° |
| C29 | C30 | C01 | H43 | 119.5° | 118.7° |
| C29 | C30 | C01 | C02 | 159.0° | 156.7° |
| C30 | C29 | C21 | H11 | 96.9° | 114.9° |
| C29 | C30 | C01 | H15 | 83.0° | 77.0° |
| C30 | C29 | H40 | H41 | 121.4° | 121.6° |
| C29 | C30 | H42 | H43 | 121.6° | 123.3° |
| C20 | C19 | C18 | C01 | 115.5° | 119.3° |
| C20 | C19 | C18 | C17 | 65.2° | 54.9° |
| C20 | C19 | C01 | C30 | 72.4° | 72.9° |
| C20 | C19 | C01 | C02 | 63.1° | 49.3° |
| C19 | C20 | H8 | H9 | 120.0° | 120.1° |
| C19 | C20 | H8 | H10 | 120.0° | 120.0° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C20 | C19 | C21 | H11 | 169.5° | 153.2° |
| C20 | C19 | C01 | H15 | 177.2° | 169.5° |
| C20 | C19 | C18 | H31 | 55.2° | 174.3° |
| C20 | C19 | C18 | H32 | 174.4° | 64.6° |
| C19 | C18 | C17 | H31 | 120.4° | 119.5° |
| C19 | C18 | C17 | H32 | 120.4° | 119.5° |
| C18 | C19 | C01 | C30 | 171.5° | 167.8° |
| C18 | C19 | C01 | C02 | 53.0° | 70.0° |
| C19 | C18 | C17 | C16 | 53.0° | 57.4° |
| C19 | C18 | C17 | H6 | 67.2° | 177.9° |
| C19 | C18 | C17 | H7 | 173.2° | 63.1° |
| C18 | C19 | C20 | H8 | 49.6° | 67.9° |
| C18 | C19 | C20 | H9 | 169.6° | 52.1° |
| C18 | C19 | C20 | H10 | 70.4° | 172.1° |
| C18 | C19 | C21 | H11 | 48.2° | 27.7° |
| C18 | C19 | C01 | H15 | 61.0° | 50.2° |
| C19 | C18 | H31 | H32 | 118.8° | 121.1° |
| C01 | C19 | C18 | C17 | 50.3° | 64.5° |
| C19 | C01 | C30 | C02 | 131.3° | 116.0° |
| C19 | C01 | C30 | H15 | 110.7° | 117.7° |
| C19 | C01 | C02 | H15 | 113.8° | 120.3° |
| C19 | C01 | C02 | C16 | 52.8° | 64.5° |
| C19 | C01 | C02 | C03 | 179.2° | 176.8° |
| C01 | C19 | C20 | H8 | 71.0° | 174.3° |
| C01 | C19 | C20 | H9 | 49.0° | 65.7° |
| C01 | C19 | C20 | H10 | 169.0° | 54.3° |
| C01 | C19 | C21 | H11 | 79.9° | 89.7° |
| C19 | C01 | C02 | H16 | 63.0° | 54.6° |
| C01 | C19 | C18 | H31 | 170.7° | 55.0° |
| C01 | C19 | C18 | H32 | 70.1° | 176.1° |
| C19 | C01 | C30 | H42 | 147.2° | 77.2° |
| C19 | C01 | C30 | H43 | 91.7° | 159.4° |
| C18 | C17 | C16 | H6 | 120.2° | 120.5° |
| C18 | C17 | C16 | H7 | 120.2° | 120.4° |
| C18 | C17 | C16 | C02 | 53.9° | 54.8° |
| C18 | C17 | C16 | C14 | 178.0° | 176.1° |
| C18 | C17 | H6 | H7 | 119.4° | 119.0° |
| C18 | C17 | C16 | H30 | 63.9° | 64.7° |
| C17 | C18 | H31 | H32 | 118.7° | 121.0° |
| C30 | C01 | C02 | H15 | 117.6° | 126.3° |
| C30 | C01 | C02 | C16 | 178.5° | 177.8° |
| C30 | C01 | C02 | C03 | 52.1° | 63.4° |
| C30 | C01 | C02 | H16 | 65.7° | 58.7° |
| C01 | C30 | C29 | H40 | 113.8° | 96.1° |
| C01 | C30 | C29 | H41 | 125.2° | 142.5° |
| C01 | C30 | H42 | H43 | 121.6° | 124.1° |
| C01 | C02 | C16 | C17 | 56.2° | 57.9° |
| C01 | C02 | C16 | C03 | 125.3° | 119.6° |
| C01 | C02 | C16 | H16 | 116.6° | 119.1° |
| C01 | C02 | C03 | H16 | 117.6° | 121.6° |
| C01 | C02 | C16 | C14 | 179.6° | 179.7° |
| C01 | C02 | C03 | C04 | 178.2° | 178.1° |
| C01 | C02 | C03 | H17 | 57.8° | 58.0° |
| C01 | C02 | C03 | H18 | 61.5° | 61.9° |
| C01 | C02 | C16 | H30 | 62.7° | 62.0° |
| C02 | C01 | C30 | H42 | 81.5° | 38.9° |
| C02 | C01 | C30 | H43 | 39.6° | 84.6° |
| C17 | C16 | C02 | C14 | 123.4° | 121.8° |
| C17 | C16 | C02 | H30 | 118.9° | 119.9° |
| C17 | C16 | C02 | C03 | 178.5° | 177.5° |
| C17 | C16 | C14 | H30 | 118.5° | 119.2° |
| C17 | C16 | C14 | C15 | 57.3° | 63.4° |
| C17 | C16 | C14 | C13 | 58.5° | 56.6° |
| C17 | C16 | C14 | C05 | 178.1° | 176.6° |
| C16 | C17 | H6 | H7 | 119.4° | 119.1° |
| C17 | C16 | C02 | H16 | 60.4° | 61.2° |
| C16 | C17 | C18 | H31 | 173.4° | 62.0° |
| C16 | C17 | C18 | H32 | 67.4° | 176.9° |
| C16 | C02 | C03 | H16 | 117.2° | 120.8° |
| C02 | C16 | C14 | H30 | 116.9° | 118.0° |
| C02 | C16 | C14 | C15 | 67.3° | 59.4° |
| C16 | C02 | C03 | C04 | 53.0° | 60.4° |
| C02 | C16 | C14 | C13 | 177.0° | 179.4° |
| C02 | C16 | C14 | C05 | 53.6° | 60.6° |
| C02 | C16 | C17 | H6 | 66.3° | 175.3° |
| C02 | C16 | C17 | H7 | 174.0° | 65.6° |
| C16 | C02 | C01 | H15 | 61.0° | 55.8° |
| C16 | C02 | C03 | H17 | 67.4° | 59.6° |
| C16 | C02 | C03 | H18 | 173.4° | 179.6° |
| C03 | C02 | C16 | C14 | 55.1° | 60.7° |
| C02 | C03 | C04 | H17 | 120.4° | 120.0° |
| C02 | C03 | C04 | H18 | 120.4° | 120.0° |
| C02 | C03 | C04 | C05 | 51.3° | 60.1° |
| C03 | C02 | C01 | H15 | 65.4° | 62.9° |
| C02 | C03 | H17 | H18 | 118.8° | 120.0° |
| C02 | C03 | C04 | H19 | 171.6° | 179.9° |
| C02 | C03 | C04 | H20 | 69.0° | 60.0° |
| C03 | C02 | C16 | H30 | 62.5° | 57.6° |
| C16 | C14 | C15 | C13 | 116.5° | 120.0° |
| C16 | C14 | C15 | C05 | 121.1° | 120.0° |
| C16 | C14 | C13 | C05 | 122.8° | 119.9° |
| C16 | C14 | C13 | C12 | 70.6° | 59.8° |
| C16 | C14 | C05 | C04 | 54.1° | 60.1° |
| C16 | C14 | C05 | C06 | 68.9° | 59.8° |
| C16 | C14 | C13 | H1 | 169.1° | 60.2° |
| C16 | C14 | C13 | H2 | 49.7° | 179.8° |
| C16 | C14 | C15 | H3 | 180.0° | 180.0° |
| C16 | C14 | C15 | H4 | 60.0° | 60.0° |
| C16 | C14 | C15 | H5 | 60.0° | 60.1° |
| C14 | C16 | C17 | H6 | 57.8° | 63.4° |
| C14 | C16 | C17 | H7 | 61.8° | 55.7° |
| C14 | C16 | C02 | H16 | 63.0° | 60.6° |
| C16 | C14 | C05 | H21 | 172.7° | 179.8° |
| C15 | C14 | C13 | C05 | 121.5° | 120.0° |
| C15 | C14 | C13 | C12 | 173.8° | 179.9° |
| C15 | C14 | C05 | C04 | 64.8° | 59.9° |
| C15 | C14 | C05 | C06 | 172.2° | 179.8° |
| C15 | C14 | C13 | H1 | 53.5° | 59.9° |
| C15 | C14 | C13 | H2 | 65.9° | 60.2° |
| C14 | C15 | H3 | H4 | 120.0° | 120.0° |
| C14 | C15 | H3 | H5 | 120.0° | 120.0° |
| C14 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | C14 | C05 | H21 | 53.8° | 60.2° |
| C15 | C14 | C16 | H30 | 175.8° | 177.4° |
| C03 | C04 | C05 | C14 | 51.7° | 59.7° |
| C03 | C04 | C05 | H19 | 120.3° | 120.0° |
| C03 | C04 | C05 | H20 | 120.2° | 120.1° |
| C03 | C04 | C05 | C06 | 72.5° | 60.1° |
| C04 | C03 | C02 | H16 | 64.3° | 60.3° |
| C04 | C03 | H17 | H18 | 118.8° | 120.0° |
| C03 | C04 | H19 | H20 | 119.2° | 120.0° |
| C03 | C04 | C05 | H21 | 170.6° | 179.9° |
| C14 | C13 | C12 | H1 | 120.3° | 120.0° |
| C14 | C13 | C12 | H2 | 120.3° | 119.9° |
| C14 | C13 | C12 | C07 | 56.7° | 60.0° |
| C13 | C14 | C05 | C04 | 175.5° | 179.9° |
| C13 | C14 | C05 | C06 | 52.5° | 60.2° |
| C14 | C13 | H1 | H2 | 119.1° | 120.0° |
| C13 | C14 | C15 | H3 | 63.5° | 60.0° |
| C13 | C14 | C15 | H4 | 176.5° | 180.0° |
| C13 | C14 | C15 | H5 | 56.5° | 60.0° |
| C13 | C14 | C05 | H21 | 65.8° | 59.8° |
| C14 | C13 | C12 | H28 | 176.8° | 179.9° |
| C14 | C13 | C12 | H29 | 63.4° | 60.0° |
| C13 | C14 | C16 | H30 | 60.1° | 62.6° |
| C05 | C14 | C13 | C12 | 52.2° | 60.1° |
| C14 | C05 | C04 | C06 | 124.3° | 119.9° |
| C14 | C05 | C04 | H21 | 118.9° | 120.2° |
| C14 | C05 | C06 | H21 | 118.0° | 120.1° |
| C14 | C05 | C06 | C07 | 56.9° | 60.1° |
| C05 | C14 | C13 | H1 | 68.1° | 179.9° |
| C05 | C14 | C13 | H2 | 172.5° | 59.8° |
| C05 | C14 | C15 | H3 | 58.9° | 60.0° |
| C05 | C14 | C15 | H4 | 61.1° | 60.0° |
| C05 | C14 | C15 | H5 | 178.9° | 180.0° |
| C14 | C05 | C04 | H19 | 172.0° | 179.7° |
| C14 | C05 | C04 | H20 | 68.5° | 60.4° |
| C14 | C05 | C06 | H22 | 63.1° | 59.9° |
| C14 | C05 | C06 | H23 | 176.9° | 179.8° |
| C05 | C14 | C16 | H30 | 63.3° | 57.4° |
| C13 | C12 | C07 | H28 | 120.1° | 120.1° |
| C13 | C12 | C07 | H29 | 120.1° | 120.0° |
| C13 | C12 | C07 | C06 | 61.5° | 59.9° |
| C13 | C12 | C07 | O08 | 175.3° | 180.0° |
| C12 | C13 | H1 | H2 | 119.0° | 120.0° |
| C13 | C12 | C07 | H24 | 55.8° | 60.1° |
| C13 | C12 | H28 | H29 | 119.8° | 120.0° |
| C12 | C07 | C06 | C05 | 61.8° | 60.0° |
| C12 | C07 | C06 | O08 | 121.6° | 120.0° |
| C12 | C07 | C06 | H24 | 117.3° | 120.0° |
| C12 | C07 | O08 | H24 | 118.3° | 120.0° |
| C12 | C07 | O08 | C09 | 100.1° | 90.0° |
| C07 | C12 | C13 | H1 | 63.6° | 180.0° |
| C07 | C12 | C13 | H2 | 177.0° | 60.0° |
| C12 | C07 | C06 | H22 | 58.2° | 60.0° |
| C12 | C07 | C06 | H23 | 178.2° | 180.0° |
| C07 | C12 | H28 | H29 | 119.8° | 119.9° |
| C04 | C05 | C06 | H21 | 116.2° | 120.0° |
| C04 | C05 | C06 | C07 | 177.4° | 179.9° |
| C05 | C04 | C03 | H17 | 69.1° | 60.0° |
| C05 | C04 | C03 | H18 | 171.7° | 180.0° |
| C05 | C04 | H19 | H20 | 119.2° | 119.9° |
| C04 | C05 | C06 | H22 | 62.6° | 60.0° |
| C04 | C05 | C06 | H23 | 57.4° | 60.0° |
| C05 | C06 | C07 | H22 | 120.0° | 119.9° |
| C05 | C06 | C07 | H23 | 120.0° | 120.0° |
| C05 | C06 | C07 | O08 | 176.6° | 180.0° |
| C06 | C05 | C04 | H19 | 47.7° | 59.9° |
| C06 | C05 | C04 | H20 | 167.2° | 179.8° |
| C05 | C06 | H22 | H23 | 120.0° | 120.0° |
| C05 | C06 | C07 | H24 | 55.5° | 60.0° |
| C06 | C07 | O08 | H24 | 120.0° | 120.0° |
| C06 | C07 | O08 | C09 | 138.2° | 150.0° |
| C07 | C06 | C05 | H21 | 61.2° | 60.1° |
| C07 | C06 | H22 | H23 | 120.0° | 120.1° |
| C06 | C07 | C12 | H28 | 178.4° | 180.0° |
| C06 | C07 | C12 | H29 | 58.6° | 60.1° |
| O08 | C07 | C06 | H22 | 63.4° | 60.0° |
| O08 | C07 | C06 | H23 | 56.6° | 60.0° |
| C07 | O08 | C09 | H25 | 135.7° | 60.0° |
| C07 | O08 | C09 | H26 | 25.4° | 60.0° |
| O08 | C07 | C12 | H28 | 55.2° | 60.0° |
| O08 | C07 | C12 | H29 | 64.6° | 59.9° |
| C07 | O08 | C09 | C1 | 99.5° | 180.0° |
| C09 | O08 | C07 | H24 | 18.2° | 30.0° |
| O08 | C09 | H25 | H26 | 98.1° | 120.0° |
| O08 | C09 | H25 | C1 | 163.7° | 120.0° |
| O08 | C09 | H26 | C1 | 163.7° | 120.0° |
| O08 | C09 | C1 | C2 | 90.0° | 47.4° |
| F1 | C27 | H38 | H39 | 118.9° | 120.0° |
| H1 | C13 | C12 | H28 | 56.4° | 59.9° |
| H1 | C13 | C12 | H29 | 176.3° | 60.0° |
| H2 | C13 | C12 | H28 | 62.9° | 60.1° |
| H2 | C13 | C12 | H29 | 56.9° | 180.0° |
| H3 | C15 | H4 | H5 | 120.0° | 120.0° |
| H6 | C17 | C16 | H30 | 175.9° | 55.8° |
| H6 | C17 | C18 | H31 | 53.2° | 58.5° |
| H6 | C17 | C18 | H32 | 172.4° | 62.6° |
| H7 | C17 | C16 | H30 | 56.3° | 174.8° |
| H7 | C17 | C18 | H31 | 66.4° | 177.5° |
| H7 | C17 | C18 | H32 | 52.7° | 56.5° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H11 | C21 | C22 | H12 | 169.8° | 179.4° |
| H11 | C21 | C29 | H40 | 22.7° | 3.8° |
| H11 | C21 | C29 | H41 | 143.6° | 125.3° |
| H12 | C22 | C24 | H13 | 139.9° | 65.0° |
| H12 | C22 | C24 | H14 | 21.8° | 175.0° |
| H12 | C22 | C23 | H33 | 61.1° | 60.0° |
| H12 | C22 | C23 | H34 | 58.9° | 179.9° |
| H12 | C22 | C23 | H35 | 178.8° | 60.0° |
| H13 | C24 | C25 | H36 | 177.0° | 180.0° |
| H13 | C24 | C25 | H37 | 56.2° | 60.0° |
| H14 | C24 | C25 | H36 | 64.8° | 60.0° |
| H14 | C24 | C25 | H37 | 174.3° | 180.0° |
| H15 | C01 | C02 | H16 | 176.8° | 174.9° |
| H15 | C01 | C30 | H42 | 36.5° | 165.2° |
| H15 | C01 | C30 | H43 | 157.6° | 41.7° |
| H16 | C02 | C03 | H17 | 175.4° | 179.7° |
| H16 | C02 | C03 | H18 | 56.1° | 59.7° |
| H16 | C02 | C16 | H30 | 179.3° | 178.9° |
| H17 | C03 | C04 | H19 | 51.1° | 60.1° |
| H17 | C03 | C04 | H20 | 170.6° | 180.0° |
| H18 | C03 | C04 | H19 | 68.1° | 59.9° |
| H18 | C03 | C04 | H20 | 51.4° | 60.0° |
| H19 | C04 | C05 | H21 | 69.1° | 60.1° |
| H20 | C04 | C05 | H21 | 50.3° | 59.8° |
| H21 | C05 | C06 | H22 | 178.8° | 180.0° |
| H21 | C05 | C06 | H23 | 58.8° | 60.0° |
| H22 | C06 | C07 | H24 | 175.5° | 179.9° |
| H23 | C06 | C07 | H24 | 64.5° | 60.0° |
| H24 | C07 | C12 | H28 | 64.3° | 60.0° |
| H24 | C07 | C12 | H29 | 175.9° | 179.9° |
| H25 | C09 | H26 | C1 | 98.2° | 120.0° |
| H25 | C09 | C1 | C2 | 90.0° | 72.6° |
| H26 | C09 | C1 | C2 | 90.0° | 167.4° |
| H33 | C23 | H34 | H35 | 120.0° | 120.0° |
| H40 | C29 | C30 | H42 | 5.6° | 146.6° |
| H40 | C29 | C30 | H43 | 126.7° | 23.3° |
| H41 | C29 | C30 | H42 | 115.3° | 25.2° |
| H41 | C29 | C30 | H43 | 5.8° | 98.1° |
| C09 | C1 | C2 | H27 | 90.0° | 127.6° |
