A1IFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | O2 | sing | 1.43Å | 1.39Å | |
| O3 | P | doub | 1.48Å | 1.52Å | |
| O4 | P | sing | 1.61Å | 1.51Å | |
| P | O2 | sing | 1.61Å | 1.67Å | |
| P | O1 | sing | 1.61Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C10 | C09 | sing | 1.54Å | 1.54Å | |
| C11 | C12 | sing | 1.54Å | 1.56Å | |
| C09 | C07 | sing | 1.52Å | 1.57Å | |
| C09 | C13 | sing | 1.55Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.55Å | 1.54Å | |
| C12 | C17 | sing | 1.50Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.52Å | 1.55Å | |
| C13 | C28 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | sing | 1.50Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.52Å | 1.54Å | |
| C16 | C26 | sing | 1.50Å | 1.55Å | |
| C20 | C21 | doub | 1.35Å | 1.36Å | |
| C20 | C26 | sing | 1.49Å | 1.47Å | |
| C21 | C22 | sing | 1.49Å | 1.46Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.50Å | 1.49Å | |
| C22 | O23 | doub | 1.22Å | 1.25Å | |
| C22 | C24 | sing | 1.49Å | 1.44Å | |
| C25 | C24 | doub | 1.35Å | 1.39Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.10Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.10Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.11Å | 1.10Å | |
| C17 | H28 | sing | 1.12Å | 1.10Å | |
| C18 | H29 | sing | 1.10Å | 1.10Å | |
| C18 | H30 | sing | 1.10Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.10Å | 1.10Å | |
| C21 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.09Å | 1.08Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| O1 | H42 | sing | 0.97Å | 0.95Å | |
| O4 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C04 | 109.9° | 109.5° |
| C01 | C02 | C03 | 108.9° | 109.5° |
| C01 | C02 | O2 | 111.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C04 | C05 | 112.2° | 109.5° |
| C04 | C02 | C03 | 109.4° | 109.5° |
| C04 | C02 | O2 | 108.1° | 109.5° |
| C02 | C04 | H7 | 108.8° | 109.5° |
| C02 | C04 | H8 | 108.8° | 109.4° |
| C04 | C05 | C06 | 110.5° | 109.5° |
| C05 | C04 | H7 | 108.8° | 109.5° |
| C05 | C04 | H8 | 108.8° | 109.5° |
| C04 | C05 | H9 | 109.2° | 109.5° |
| C04 | C05 | H10 | 109.2° | 109.5° |
| C03 | C02 | O2 | 109.1° | 109.4° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | O2 | P | 121.0° | 123.0° |
| O3 | P | O4 | 110.0° | 109.5° |
| O3 | P | O2 | 109.4° | 109.5° |
| O3 | P | O1 | 108.8° | 109.5° |
| O4 | P | O2 | 110.6° | 109.5° |
| O4 | P | O1 | 109.4° | 109.5° |
| P | O4 | H43 | 109.5° | 114.0° |
| O2 | P | O1 | 108.7° | 109.4° |
| P | O1 | H42 | 109.5° | 114.0° |
| C05 | C06 | C07 | 115.3° | 109.5° |
| C06 | C05 | H9 | 109.2° | 109.5° |
| C06 | C05 | H10 | 109.2° | 109.5° |
| C05 | C06 | H11 | 108.0° | 109.4° |
| C05 | C06 | H12 | 108.0° | 109.4° |
| C06 | C07 | C09 | 105.1° | 109.5° |
| C06 | C07 | C08 | 108.5° | 109.4° |
| C07 | C06 | H11 | 108.0° | 109.5° |
| C07 | C06 | H12 | 108.0° | 109.5° |
| C06 | C07 | H13 | 110.9° | 109.5° |
| C11 | C10 | C09 | 108.2° | 106.0° |
| C10 | C11 | C12 | 100.1° | 103.1° |
| C11 | C10 | H18 | 109.8° | 110.0° |
| C11 | C10 | H19 | 109.8° | 109.9° |
| C10 | C11 | H20 | 111.7° | 110.1° |
| C10 | C11 | H21 | 111.8° | 109.5° |
| C10 | C09 | C07 | 108.1° | 110.7° |
| C10 | C09 | C13 | 96.4° | 106.2° |
| C10 | C09 | H17 | 111.2° | 109.0° |
| C09 | C10 | H18 | 109.8° | 110.2° |
| C09 | C10 | H19 | 109.8° | 110.1° |
| C11 | C12 | C13 | 104.2° | 102.4° |
| C11 | C12 | C17 | 114.9° | 114.9° |
| C12 | C11 | H20 | 111.8° | 111.5° |
| C12 | C11 | H21 | 111.8° | 111.1° |
| C11 | C12 | H22 | 108.0° | 109.1° |
| C07 | C09 | C13 | 117.6° | 112.2° |
| C09 | C07 | C08 | 111.3° | 109.4° |
| C09 | C07 | H13 | 110.3° | 109.5° |
| C07 | C09 | H17 | 110.9° | 109.4° |
| C09 | C13 | C12 | 97.9° | 101.9° |
| C09 | C13 | C28 | 110.7° | 111.8° |
| C09 | C13 | C14 | 111.6° | 108.8° |
| C13 | C09 | H17 | 111.6° | 109.2° |
| C08 | C07 | H13 | 110.7° | 109.5° |
| C07 | C08 | H14 | 109.5° | 109.4° |
| C07 | C08 | H15 | 109.4° | 109.5° |
| C07 | C08 | H16 | 109.5° | 109.5° |
| C13 | C12 | C17 | 112.9° | 112.4° |
| C12 | C13 | C28 | 111.4° | 111.9° |
| C12 | C13 | C14 | 112.0° | 109.2° |
| C13 | C12 | H22 | 108.3° | 108.3° |
| C12 | C17 | C18 | 108.1° | 113.3° |
| C12 | C17 | C16 | 110.7° | 114.7° |
| C17 | C12 | H22 | 108.2° | 109.4° |
| C12 | C17 | H28 | 108.8° | 106.0° |
| C17 | C18 | C19 | 107.3° | 111.4° |
| C18 | C17 | C16 | 111.6° | 110.6° |
| C18 | C17 | H28 | 108.8° | 105.7° |
| C17 | C18 | H29 | 110.0° | 109.3° |
| C17 | C18 | H30 | 110.0° | 109.6° |
| C18 | C19 | C20 | 107.7° | 112.8° |
| C19 | C18 | H29 | 110.0° | 109.3° |
| C19 | C18 | H30 | 110.0° | 109.6° |
| C18 | C19 | H31 | 109.9° | 110.4° |
| C18 | C19 | H32 | 109.9° | 108.6° |
| C28 | C13 | C14 | 112.4° | 112.6° |
| C13 | C28 | H39 | 109.5° | 109.5° |
| C13 | C28 | H40 | 109.5° | 109.5° |
| C13 | C28 | H41 | 109.4° | 109.4° |
| C13 | C14 | C15 | 112.3° | 111.5° |
| C13 | C14 | H23 | 108.8° | 109.6° |
| C13 | C14 | H24 | 108.8° | 109.8° |
| C17 | C16 | C15 | 109.2° | 110.5° |
| C17 | C16 | C26 | 112.0° | 114.9° |
| C17 | C16 | H27 | 107.0° | 105.9° |
| C16 | C17 | H28 | 108.8° | 105.8° |
| C19 | C20 | C21 | 116.0° | 116.5° |
| C19 | C20 | C26 | 116.0° | 124.5° |
| C20 | C19 | H31 | 109.9° | 109.9° |
| C20 | C19 | H32 | 109.9° | 107.8° |
| C14 | C15 | C16 | 107.6° | 111.3° |
| C15 | C14 | H23 | 108.8° | 107.3° |
| C15 | C14 | H24 | 108.8° | 109.4° |
| C14 | C15 | H25 | 110.0° | 109.4° |
| C14 | C15 | H26 | 110.0° | 109.2° |
| C15 | C16 | C26 | 114.5° | 113.5° |
| C16 | C15 | H25 | 109.9° | 109.4° |
| C16 | C15 | H26 | 109.9° | 109.8° |
| C15 | C16 | H27 | 106.9° | 105.9° |
| C16 | C26 | C20 | 115.1° | 116.0° |
| C16 | C26 | C27 | 104.8° | 103.3° |
| C16 | C26 | C25 | 113.4° | 113.9° |
| C26 | C16 | H27 | 106.8° | 105.3° |
| C21 | C20 | C26 | 127.0° | 119.0° |
| C20 | C21 | C22 | 118.5° | 115.8° |
| C20 | C21 | H33 | 120.7° | 121.8° |
| C20 | C26 | C27 | 104.8° | 104.3° |
| C20 | C26 | C25 | 110.8° | 113.3° |
| C21 | C22 | O23 | 120.8° | 122.8° |
| C21 | C22 | C24 | 118.9° | 114.6° |
| C22 | C21 | H33 | 120.8° | 122.3° |
| C27 | C26 | C25 | 107.1° | 104.3° |
| C26 | C27 | H36 | 109.5° | 109.4° |
| C26 | C27 | H37 | 109.5° | 109.4° |
| C26 | C27 | H38 | 109.5° | 109.5° |
| C26 | C25 | C24 | 124.6° | 119.2° |
| C26 | C25 | H35 | 117.7° | 121.4° |
| O23 | C22 | C24 | 120.3° | 122.6° |
| C22 | C24 | C25 | 119.9° | 115.6° |
| C22 | C24 | H34 | 120.0° | 122.3° |
| C25 | C24 | H34 | 120.0° | 122.1° |
| C24 | C25 | H35 | 117.7° | 119.3° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H4 | C03 | H6 | 109.5° | 109.4° |
| H5 | C03 | H6 | 109.4° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H9 | C05 | H10 | 109.5° | 109.4° |
| H11 | C06 | H12 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H14 | C08 | H16 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 110.5° |
| H20 | C11 | H21 | 109.5° | 111.3° |
| H23 | C14 | H24 | 109.4° | 109.2° |
| H25 | C15 | H26 | 109.4° | 107.5° |
| H29 | C18 | H30 | 109.5° | 107.5° |
| H31 | C19 | H32 | 109.5° | 107.2° |
| H36 | C27 | H37 | 109.5° | 109.4° |
| H36 | C27 | H38 | 109.4° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.5° |
| H39 | C28 | H40 | 109.5° | 109.5° |
| H39 | C28 | H41 | 109.5° | 109.4° |
| H40 | C28 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C04 | C03 | 119.6° | 120.0° |
| C01 | C02 | C04 | O2 | 121.7° | 120.0° |
| C01 | C02 | C04 | C05 | 168.9° | 55.0° |
| C01 | C02 | C03 | O2 | 121.7° | 120.0° |
| C01 | C02 | O2 | P | 21.6° | 74.9° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 180.0° | 60.0° |
| C01 | C02 | C03 | H5 | 60.0° | 180.0° |
| C01 | C02 | C03 | H6 | 60.0° | 60.0° |
| C01 | C02 | C04 | H7 | 48.5° | 65.0° |
| C01 | C02 | C04 | H8 | 70.6° | 175.0° |
| C02 | C04 | C05 | H7 | 120.4° | 120.0° |
| C02 | C04 | C05 | H8 | 120.4° | 120.0° |
| C04 | C02 | C03 | O2 | 118.1° | 120.0° |
| C04 | C02 | O2 | P | 142.4° | 165.0° |
| C02 | C04 | C05 | C06 | 176.3° | 180.0° |
| C04 | C02 | C01 | H1 | 180.0° | 60.0° |
| C04 | C02 | C01 | H2 | 60.0° | 60.0° |
| C04 | C02 | C01 | H3 | 60.0° | 180.0° |
| C04 | C02 | C03 | H4 | 59.8° | 180.0° |
| C04 | C02 | C03 | H5 | 60.2° | 60.0° |
| C04 | C02 | C03 | H6 | 179.8° | 60.0° |
| C02 | C04 | H7 | H8 | 118.7° | 120.0° |
| C02 | C04 | C05 | H9 | 56.1° | 60.0° |
| C02 | C04 | C05 | H10 | 63.6° | 60.0° |
| C05 | C04 | C02 | C03 | 71.5° | 175.0° |
| C05 | C04 | C02 | O2 | 47.2° | 65.0° |
| C04 | C05 | C06 | H9 | 120.2° | 120.0° |
| C04 | C05 | C06 | H10 | 120.2° | 120.0° |
| C04 | C05 | C06 | C07 | 164.5° | 180.0° |
| C05 | C04 | H7 | H8 | 118.8° | 120.0° |
| C04 | C05 | H9 | H10 | 119.6° | 120.0° |
| C04 | C05 | C06 | H11 | 43.6° | 60.0° |
| C04 | C05 | C06 | H12 | 74.7° | 60.0° |
| C03 | C02 | O2 | P | 98.7° | 45.1° |
| C03 | C02 | C01 | H1 | 60.1° | 60.0° |
| C03 | C02 | C01 | H2 | 59.9° | 180.0° |
| C03 | C02 | C01 | H3 | 179.9° | 60.0° |
| C02 | C03 | H4 | H5 | 120.0° | 120.0° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | C04 | H7 | 168.1° | 55.0° |
| C03 | C02 | C04 | H8 | 49.0° | 65.0° |
| C02 | O2 | P | O3 | 62.6° | 55.0° |
| C02 | O2 | P | O4 | 58.7° | 175.0° |
| C02 | O2 | P | O1 | 178.7° | 65.0° |
| O2 | C02 | C01 | H1 | 60.2° | 180.0° |
| O2 | C02 | C01 | H2 | 179.8° | 60.0° |
| O2 | C02 | C01 | H3 | 59.8° | 59.9° |
| O2 | C02 | C03 | H4 | 58.3° | 60.0° |
| O2 | C02 | C03 | H5 | 178.3° | 60.0° |
| O2 | C02 | C03 | H6 | 61.7° | 180.0° |
| O2 | C02 | C04 | H7 | 73.2° | 175.0° |
| O2 | C02 | C04 | H8 | 167.6° | 55.0° |
| O3 | P | O4 | O2 | 120.9° | 120.0° |
| O3 | P | O4 | O1 | 119.5° | 120.0° |
| O3 | P | O2 | O1 | 118.7° | 120.0° |
| O3 | P | O1 | H42 | 0.0° | 180.0° |
| O3 | P | O4 | H43 | 0.0° | 60.0° |
| O4 | P | O2 | O1 | 120.1° | 120.0° |
| O4 | P | O1 | H42 | 120.2° | 60.0° |
| O2 | P | O1 | H42 | 119.0° | 60.0° |
| O2 | P | O4 | H43 | 120.9° | 180.0° |
| O1 | P | O4 | H43 | 119.5° | 60.0° |
| C05 | C06 | C07 | H11 | 120.8° | 120.0° |
| C05 | C06 | C07 | H12 | 120.9° | 120.0° |
| C05 | C06 | C07 | C09 | 150.1° | 176.8° |
| C05 | C06 | C07 | C08 | 90.8° | 63.3° |
| C06 | C05 | C04 | H7 | 63.3° | 60.0° |
| C06 | C05 | C04 | H8 | 55.9° | 60.0° |
| C06 | C05 | H9 | H10 | 119.5° | 120.0° |
| C05 | C06 | H11 | H12 | 117.4° | 120.0° |
| C05 | C06 | C07 | H13 | 31.0° | 56.7° |
| C06 | C07 | C09 | C10 | 83.6° | 176.6° |
| C06 | C07 | C09 | C08 | 117.2° | 119.9° |
| C06 | C07 | C09 | H13 | 119.5° | 120.1° |
| C06 | C07 | C09 | C13 | 168.7° | 65.0° |
| C06 | C07 | C08 | H13 | 121.9° | 120.0° |
| C07 | C06 | C05 | H9 | 75.4° | 59.9° |
| C07 | C06 | C05 | H10 | 44.3° | 60.0° |
| C07 | C06 | H11 | H12 | 117.3° | 120.0° |
| C06 | C07 | C08 | H14 | 180.0° | 179.9° |
| C06 | C07 | C08 | H15 | 60.0° | 60.0° |
| C06 | C07 | C08 | H16 | 60.0° | 60.0° |
| C06 | C07 | C09 | H17 | 38.6° | 56.4° |
| C11 | C10 | C09 | H18 | 119.8° | 119.0° |
| C11 | C10 | C09 | H19 | 119.8° | 118.8° |
| C10 | C11 | C12 | H20 | 118.4° | 118.1° |
| C10 | C11 | C12 | H21 | 118.5° | 117.1° |
| C11 | C10 | C09 | C07 | 165.5° | 125.2° |
| C11 | C10 | C09 | C13 | 43.7° | 3.1° |
| C10 | C11 | C12 | C13 | 22.1° | 42.3° |
| C10 | C11 | C12 | C17 | 146.2° | 164.5° |
| C11 | C10 | C09 | H17 | 72.5° | 114.5° |
| C11 | C10 | H18 | H19 | 120.5° | 121.5° |
| C10 | C11 | H20 | H21 | 124.4° | 121.6° |
| C10 | C11 | C12 | H22 | 92.9° | 72.2° |
| C09 | C10 | C11 | C12 | 13.3° | 24.2° |
| C10 | C09 | C07 | C13 | 107.7° | 118.5° |
| C10 | C09 | C07 | H17 | 122.2° | 120.2° |
| C10 | C09 | C13 | H17 | 115.9° | 117.4° |
| C10 | C09 | C07 | C08 | 33.6° | 56.6° |
| C10 | C09 | C13 | C12 | 54.7° | 28.9° |
| C10 | C09 | C13 | C28 | 171.2° | 148.5° |
| C10 | C09 | C13 | C14 | 62.8° | 86.4° |
| C10 | C09 | C07 | H13 | 156.9° | 63.4° |
| C09 | C10 | H18 | H19 | 120.6° | 122.0° |
| C09 | C10 | C11 | H20 | 131.7° | 94.9° |
| C09 | C10 | C11 | H21 | 105.2° | 142.5° |
| C11 | C12 | C13 | C09 | 49.8° | 44.0° |
| C11 | C12 | C13 | C17 | 125.3° | 123.8° |
| C11 | C12 | C13 | H22 | 114.8° | 115.1° |
| C11 | C12 | C17 | H22 | 120.8° | 123.1° |
| C11 | C12 | C17 | C18 | 23.5° | 63.2° |
| C11 | C12 | C13 | C28 | 165.8° | 163.6° |
| C11 | C12 | C13 | C14 | 67.4° | 71.0° |
| C11 | C12 | C17 | C16 | 99.0° | 65.0° |
| C12 | C11 | C10 | H18 | 133.1° | 143.3° |
| C12 | C11 | C10 | H19 | 106.6° | 94.8° |
| C12 | C11 | H20 | H21 | 124.4° | 124.7° |
| C11 | C12 | C17 | H28 | 141.5° | 178.7° |
| C07 | C09 | C13 | H17 | 129.8° | 121.5° |
| C09 | C07 | C08 | H13 | 123.0° | 120.0° |
| C07 | C09 | C13 | C12 | 169.0° | 149.9° |
| C07 | C09 | C13 | C28 | 74.5° | 90.4° |
| C07 | C09 | C13 | C14 | 51.5° | 34.6° |
| C09 | C07 | C06 | H11 | 89.1° | 63.2° |
| C09 | C07 | C06 | H12 | 29.2° | 56.8° |
| C09 | C07 | C08 | H14 | 64.9° | 60.0° |
| C09 | C07 | C08 | H15 | 175.1° | 180.0° |
| C09 | C07 | C08 | H16 | 55.1° | 60.0° |
| C07 | C09 | C10 | H18 | 74.6° | 6.2° |
| C07 | C09 | C10 | H19 | 45.7° | 116.0° |
| C13 | C09 | C07 | C08 | 74.1° | 175.1° |
| C09 | C13 | C12 | C28 | 115.9° | 119.6° |
| C09 | C13 | C12 | C14 | 117.2° | 115.0° |
| C09 | C13 | C12 | C17 | 175.2° | 167.8° |
| C09 | C13 | C28 | C14 | 125.6° | 122.9° |
| C09 | C13 | C14 | C15 | 136.5° | 167.2° |
| C13 | C09 | C07 | H13 | 49.2° | 55.1° |
| C13 | C09 | C10 | H18 | 163.5° | 115.9° |
| C13 | C09 | C10 | H19 | 76.1° | 121.9° |
| C09 | C13 | C12 | H22 | 65.0° | 71.1° |
| C09 | C13 | C14 | H23 | 103.1° | 74.1° |
| C09 | C13 | C14 | H24 | 16.0° | 45.8° |
| C09 | C13 | C28 | H39 | 180.0° | 66.4° |
| C09 | C13 | C28 | H40 | 60.0° | 173.5° |
| C09 | C13 | C28 | H41 | 60.0° | 53.5° |
| C08 | C07 | C06 | H11 | 30.0° | 56.7° |
| C08 | C07 | C06 | H12 | 148.3° | 176.7° |
| C07 | C08 | H14 | H15 | 120.0° | 120.0° |
| C07 | C08 | H14 | H16 | 120.0° | 120.0° |
| C07 | C08 | H15 | H16 | 120.0° | 120.0° |
| C08 | C07 | C09 | H17 | 155.8° | 63.5° |
| C13 | C12 | C17 | H22 | 119.8° | 120.4° |
| C13 | C12 | C17 | C18 | 142.8° | 179.8° |
| C12 | C13 | C28 | C14 | 126.6° | 123.5° |
| C13 | C12 | C17 | C16 | 20.4° | 51.5° |
| C12 | C13 | C14 | C15 | 27.9° | 56.8° |
| C12 | C13 | C09 | H17 | 61.1° | 88.6° |
| C13 | C12 | C11 | H20 | 96.3° | 75.8° |
| C13 | C12 | C11 | H21 | 140.6° | 159.5° |
| C12 | C13 | C14 | H23 | 148.3° | 175.5° |
| C12 | C13 | C14 | H24 | 92.6° | 64.6° |
| C13 | C12 | C17 | H28 | 99.1° | 64.8° |
| C12 | C13 | C28 | H39 | 72.2° | 180.0° |
| C12 | C13 | C28 | H40 | 47.8° | 59.9° |
| C12 | C13 | C28 | H41 | 167.8° | 60.1° |
| C12 | C17 | C18 | C16 | 121.9° | 130.3° |
| C12 | C17 | C18 | H28 | 118.0° | 115.6° |
| C12 | C17 | C18 | C19 | 174.7° | 66.7° |
| C17 | C12 | C13 | C28 | 68.9° | 72.6° |
| C17 | C12 | C13 | C14 | 57.9° | 52.9° |
| C12 | C17 | C16 | H28 | 119.5° | 116.4° |
| C12 | C17 | C16 | C15 | 42.9° | 51.3° |
| C12 | C17 | C16 | C26 | 170.7° | 78.8° |
| C17 | C12 | C11 | H20 | 27.8° | 46.4° |
| C17 | C12 | C11 | H21 | 95.3° | 78.4° |
| C12 | C17 | C16 | H27 | 72.5° | 165.5° |
| C12 | C17 | C18 | H29 | 65.7° | 54.3° |
| C12 | C17 | C18 | H30 | 55.0° | 171.9° |
| C17 | C18 | C19 | H29 | 119.6° | 121.0° |
| C17 | C18 | C19 | H30 | 119.7° | 121.5° |
| C18 | C17 | C16 | H28 | 120.1° | 114.0° |
| C17 | C18 | C19 | C20 | 63.7° | 38.0° |
| C18 | C17 | C16 | C15 | 77.6° | 179.1° |
| C18 | C17 | C16 | C26 | 50.3° | 50.8° |
| C18 | C17 | C12 | H22 | 97.3° | 59.9° |
| C18 | C17 | C16 | H27 | 167.0° | 64.9° |
| C17 | C18 | H29 | H30 | 121.0° | 118.9° |
| C17 | C18 | C19 | H31 | 176.6° | 85.4° |
| C17 | C18 | C19 | H32 | 56.0° | 157.4° |
| C19 | C18 | C17 | C16 | 63.4° | 63.7° |
| C18 | C19 | C20 | H31 | 119.7° | 123.7° |
| C18 | C19 | C20 | H32 | 119.7° | 119.9° |
| C18 | C19 | C20 | C21 | 113.2° | 179.6° |
| C18 | C19 | C20 | C26 | 55.8° | 1.1° |
| C19 | C18 | C17 | H28 | 56.6° | 177.7° |
| C19 | C18 | H29 | H30 | 121.0° | 118.9° |
| C18 | C19 | H31 | H32 | 120.8° | 118.1° |
| C28 | C13 | C14 | C15 | 98.4° | 68.2° |
| C28 | C13 | C09 | H17 | 55.3° | 31.1° |
| C28 | C13 | C12 | H22 | 50.9° | 48.5° |
| C28 | C13 | C14 | H23 | 22.0° | 50.4° |
| C28 | C13 | C14 | H24 | 141.1° | 170.4° |
| C13 | C28 | H39 | H40 | 120.0° | 120.0° |
| C13 | C28 | H39 | H41 | 120.0° | 119.9° |
| C13 | C28 | H40 | H41 | 120.0° | 120.0° |
| C13 | C14 | C15 | H23 | 120.4° | 120.0° |
| C13 | C14 | C15 | H24 | 120.4° | 121.7° |
| C13 | C14 | C15 | C16 | 33.8° | 58.7° |
| C14 | C13 | C09 | H17 | 178.7° | 156.1° |
| C14 | C13 | C12 | H22 | 177.8° | 173.9° |
| C13 | C14 | H23 | H24 | 118.7° | 120.3° |
| C13 | C14 | C15 | H25 | 153.5° | 62.4° |
| C13 | C14 | C15 | H26 | 85.9° | 179.8° |
| C14 | C13 | C28 | H39 | 54.4° | 56.4° |
| C14 | C13 | C28 | H40 | 174.4° | 63.6° |
| C14 | C13 | C28 | H41 | 65.6° | 176.3° |
| C17 | C16 | C15 | C14 | 72.5° | 53.9° |
| C17 | C16 | C15 | C26 | 126.5° | 130.8° |
| C17 | C16 | C15 | H27 | 115.4° | 114.2° |
| C17 | C16 | C26 | H27 | 116.8° | 116.1° |
| C17 | C16 | C26 | C20 | 39.6° | 14.1° |
| C17 | C16 | C26 | C27 | 75.0° | 127.5° |
| C17 | C16 | C26 | C25 | 168.6° | 120.1° |
| C16 | C17 | C12 | H22 | 140.2° | 171.9° |
| C17 | C16 | C15 | H25 | 167.8° | 67.2° |
| C17 | C16 | C15 | H26 | 47.2° | 175.0° |
| C16 | C17 | C18 | H29 | 56.2° | 175.4° |
| C16 | C17 | C18 | H30 | 176.9° | 57.8° |
| C19 | C20 | C26 | C16 | 43.9° | 11.5° |
| C19 | C20 | C21 | C26 | 167.6° | 179.3° |
| C19 | C20 | C21 | C22 | 174.9° | 178.3° |
| C19 | C20 | C26 | C27 | 70.7° | 101.4° |
| C19 | C20 | C26 | C25 | 174.2° | 145.9° |
| C20 | C19 | C18 | H29 | 55.9° | 159.0° |
| C20 | C19 | C18 | H30 | 176.6° | 83.5° |
| C20 | C19 | H31 | H32 | 120.8° | 116.9° |
| C19 | C20 | C21 | H33 | 5.1° | 1.8° |
| C14 | C15 | C16 | H25 | 119.7° | 121.1° |
| C14 | C15 | C16 | H26 | 119.7° | 121.1° |
| C14 | C15 | C16 | C26 | 161.0° | 76.9° |
| C15 | C14 | H23 | H24 | 118.7° | 118.4° |
| C14 | C15 | H25 | H26 | 120.9° | 118.5° |
| C14 | C15 | C16 | H27 | 42.9° | 168.1° |
| C15 | C16 | C26 | H27 | 118.2° | 115.3° |
| C15 | C16 | C26 | C20 | 85.3° | 142.6° |
| C15 | C16 | C26 | C27 | 160.1° | 103.9° |
| C15 | C16 | C26 | C25 | 43.6° | 8.5° |
| C16 | C15 | C14 | H23 | 86.6° | 178.7° |
| C16 | C15 | C14 | H24 | 154.3° | 63.0° |
| C16 | C15 | H25 | H26 | 120.8° | 119.2° |
| C15 | C16 | C17 | H28 | 162.3° | 65.1° |
| C16 | C26 | C20 | C21 | 123.7° | 167.8° |
| C16 | C26 | C20 | C27 | 114.6° | 112.9° |
| C16 | C26 | C20 | C25 | 130.3° | 134.4° |
| C16 | C26 | C27 | C25 | 120.7° | 119.4° |
| C16 | C26 | C25 | C24 | 127.8° | 167.8° |
| C26 | C16 | C15 | H25 | 41.3° | 162.0° |
| C26 | C16 | C15 | H26 | 79.2° | 44.2° |
| C26 | C16 | C17 | H28 | 69.8° | 164.8° |
| C16 | C26 | C25 | H35 | 52.2° | 10.7° |
| C16 | C26 | C27 | H36 | 180.0° | 60.1° |
| C16 | C26 | C27 | H37 | 60.0° | 180.0° |
| C16 | C26 | C27 | H38 | 60.0° | 60.0° |
| C20 | C21 | C22 | H33 | 180.0° | 179.9° |
| C21 | C20 | C26 | C27 | 121.7° | 79.4° |
| C21 | C20 | C26 | C25 | 6.6° | 33.4° |
| C20 | C21 | C22 | O23 | 175.5° | 139.8° |
| C20 | C21 | C22 | C24 | 4.2° | 40.4° |
| C21 | C20 | C19 | H31 | 6.6° | 56.8° |
| C21 | C20 | C19 | H32 | 127.1° | 59.7° |
| C26 | C20 | C21 | C22 | 7.3° | 2.4° |
| C20 | C26 | C27 | C25 | 117.7° | 119.0° |
| C20 | C26 | C25 | C24 | 3.4° | 32.4° |
| C20 | C26 | C16 | H27 | 156.5° | 102.0° |
| C26 | C20 | C19 | H31 | 175.6° | 122.5° |
| C26 | C20 | C19 | H32 | 63.9° | 121.0° |
| C26 | C20 | C21 | H33 | 172.7° | 177.5° |
| C20 | C26 | C25 | H35 | 176.6° | 146.1° |
| C20 | C26 | C27 | H36 | 58.4° | 178.3° |
| C20 | C26 | C27 | H37 | 61.6° | 58.4° |
| C20 | C26 | C27 | H38 | 178.4° | 61.7° |
| C21 | C22 | O23 | C24 | 179.7° | 179.8° |
| C21 | C22 | C24 | C25 | 1.5° | 41.3° |
| C21 | C22 | C24 | H34 | 178.5° | 138.8° |
| C27 | C26 | C25 | C24 | 117.1° | 80.3° |
| C27 | C26 | C16 | H27 | 41.9° | 11.4° |
| C27 | C26 | C25 | H35 | 62.8° | 101.2° |
| C26 | C27 | H36 | H37 | 120.0° | 119.9° |
| C26 | C27 | H36 | H38 | 120.0° | 120.0° |
| C26 | C27 | H37 | H38 | 120.0° | 120.1° |
| C26 | C25 | C24 | C22 | 1.3° | 4.2° |
| C26 | C25 | C24 | H35 | 180.0° | 178.5° |
| C25 | C26 | C16 | H27 | 74.6° | 123.9° |
| C26 | C25 | C24 | H34 | 178.7° | 175.8° |
| C25 | C26 | C27 | H36 | 59.3° | 59.3° |
| C25 | C26 | C27 | H37 | 179.3° | 60.6° |
| C25 | C26 | C27 | H38 | 60.7° | 179.3° |
| O23 | C22 | C24 | C25 | 178.2° | 138.9° |
| O23 | C22 | C21 | H33 | 4.5° | 40.3° |
| O23 | C22 | C24 | H34 | 1.8° | 41.0° |
| C22 | C24 | C25 | H34 | 180.0° | 179.9° |
| C24 | C22 | C21 | H33 | 175.8° | 139.5° |
| C22 | C24 | C25 | H35 | 178.7° | 177.3° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 119.9° | 120.0° |
| H7 | C04 | C05 | H9 | 176.5° | 180.0° |
| H7 | C04 | C05 | H10 | 56.8° | 60.1° |
| H8 | C04 | C05 | H9 | 64.3° | 60.0° |
| H8 | C04 | C05 | H10 | 176.0° | 179.9° |
| H9 | C05 | C06 | H11 | 163.8° | 180.0° |
| H9 | C05 | C06 | H12 | 45.5° | 60.0° |
| H10 | C05 | C06 | H11 | 76.5° | 60.1° |
| H10 | C05 | C06 | H12 | 165.2° | 180.0° |
| H11 | C06 | C07 | H13 | 151.8° | 176.7° |
| H12 | C06 | C07 | H13 | 89.9° | 63.3° |
| H13 | C07 | C08 | H14 | 58.1° | 60.0° |
| H13 | C07 | C08 | H15 | 61.9° | 60.0° |
| H13 | C07 | C08 | H16 | 178.1° | NaN° |
| H13 | C07 | C09 | H17 | 80.9° | 176.5° |
| H14 | C08 | H15 | H16 | 120.0° | 120.1° |
| H17 | C09 | C10 | H18 | 47.3° | 126.6° |
| H17 | C09 | C10 | H19 | 167.7° | 4.4° |
| H18 | C10 | C11 | H20 | 108.5° | 24.2° |
| H18 | C10 | C11 | H21 | 14.6° | 98.4° |
| H19 | C10 | C11 | H20 | 11.9° | 146.1° |
| H19 | C10 | C11 | H21 | 134.9° | 23.5° |
| H20 | C11 | C12 | H22 | 148.7° | 169.7° |
| H21 | C11 | C12 | H22 | 25.6° | 44.9° |
| H22 | C12 | C17 | H28 | 20.7° | 55.6° |
| H23 | C14 | C15 | H25 | 33.1° | 57.6° |
| H23 | C14 | C15 | H26 | 153.7° | 59.8° |
| H24 | C14 | C15 | H25 | 86.0° | 175.9° |
| H24 | C14 | C15 | H26 | 34.5° | 58.5° |
| H25 | C15 | C16 | H27 | 76.8° | 47.0° |
| H26 | C15 | C16 | H27 | 162.6° | 70.8° |
| H27 | C16 | C17 | H28 | 46.9° | 49.1° |
| H28 | C17 | C18 | H29 | 176.3° | 61.3° |
| H28 | C17 | C18 | H30 | 63.0° | 56.2° |
| H29 | C18 | C19 | H31 | 63.8° | 35.6° |
| H29 | C18 | C19 | H32 | 175.7° | 81.6° |
| H30 | C18 | C19 | H31 | 56.9° | 153.2° |
| H30 | C18 | C19 | H32 | 63.6° | 36.0° |
| H34 | C24 | C25 | H35 | 1.4° | 2.7° |
| H36 | C27 | H37 | H38 | 120.0° | 120.0° |
| H39 | C28 | H40 | H41 | 120.0° | 120.0° |
