5YI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | C30 | sing | 1.51Å | 1.41Å | |
| C30 | C02 | doub | 1.31Å | 1.40Å | |
| O01 | C01 | sing | 1.43Å | 1.44Å | |
| C02 | C01 | sing | 1.51Å | 1.56Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| C01 | C10 | sing | 1.53Å | 1.56Å | |
| C03 | O02 | sing | 1.43Å | 1.41Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C10 | C05 | sing | 1.51Å | 1.56Å | |
| C04 | C05 | sing | 1.51Å | 1.56Å | |
| C05 | C06 | doub | 1.33Å | 1.40Å | |
| C06 | C07 | sing | 1.47Å | 1.43Å | |
| C07 | C08 | doub | 1.33Å | 1.41Å | |
| C08 | C14 | sing | 1.50Å | 1.58Å | |
| C08 | C09 | sing | 1.51Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.55Å | 1.56Å | |
| C18 | C13 | sing | 1.53Å | 1.58Å | |
| C09 | C11 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | doub | 1.33Å | 1.37Å | |
| C26 | C24 | sing | 1.53Å | 1.58Å | |
| C13 | C17 | sing | 1.48Å | 1.55Å | |
| C13 | C12 | sing | 1.50Å | 1.57Å | |
| C11 | C12 | sing | 1.54Å | 1.57Å | |
| C17 | C20 | sing | 1.51Å | 1.58Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | S22 | sing | 1.81Å | 1.84Å | |
| C24 | O03 | sing | 1.43Å | 1.43Å | |
| C24 | C27 | sing | 1.53Å | 1.56Å | |
| C29 | C27 | sing | 1.53Å | 1.56Å | |
| C20 | S22 | sing | 1.81Å | 1.85Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| O03 | H23 | sing | 0.97Å | 0.95Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C09 | H31 | sing | 1.09Å | 1.10Å | |
| C09 | H32 | sing | 1.09Å | 1.10Å | |
| C07 | H33 | sing | 1.08Å | 1.08Å | |
| C06 | H34 | sing | 1.08Å | 1.08Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| C01 | H37 | sing | 1.09Å | 1.10Å | |
| O01 | H38 | sing | 0.97Å | 0.95Å | |
| C04 | H39 | sing | 1.09Å | 1.10Å | |
| C04 | H40 | sing | 1.09Å | 1.10Å | |
| C03 | H41 | sing | 1.09Å | 1.10Å | |
| O02 | H42 | sing | 0.97Å | 0.95Å | |
| C30 | H43 | sing | 1.08Å | 1.08Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| O04 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C31 | C30 | 111.1° | 109.5° |
| O04 | C31 | H44 | 109.1° | 109.5° |
| O04 | C31 | H45 | 109.1° | 109.4° |
| C31 | O04 | H46 | 109.5° | 114.0° |
| C31 | C30 | C02 | 128.4° | 120.0° |
| C31 | C30 | H43 | 115.8° | 120.0° |
| C30 | C31 | H44 | 109.1° | 109.5° |
| C30 | C31 | H45 | 109.1° | 109.5° |
| C30 | C02 | C01 | 121.5° | 120.5° |
| C30 | C02 | C03 | 121.2° | 120.7° |
| C02 | C30 | H43 | 115.8° | 120.0° |
| O01 | C01 | C02 | 112.0° | 109.8° |
| O01 | C01 | C10 | 109.0° | 109.6° |
| O01 | C01 | H37 | 109.7° | 109.6° |
| C01 | O01 | H38 | 109.5° | 114.0° |
| C01 | C02 | C03 | 117.3° | 118.7° |
| C02 | C01 | C10 | 109.9° | 108.6° |
| C02 | C01 | H37 | 108.1° | 109.6° |
| C02 | C03 | O02 | 109.1° | 109.5° |
| C02 | C03 | C04 | 110.3° | 108.7° |
| C02 | C03 | H41 | 109.0° | 109.9° |
| C01 | C10 | C05 | 114.1° | 108.6° |
| C01 | C10 | H35 | 108.3° | 109.6° |
| C01 | C10 | H36 | 108.3° | 109.7° |
| C10 | C01 | H37 | 108.1° | 109.6° |
| O02 | C03 | C04 | 108.4° | 109.6° |
| O02 | C03 | H41 | 111.0° | 109.6° |
| C03 | O02 | H42 | 109.5° | 114.0° |
| C03 | C04 | C05 | 113.2° | 108.6° |
| C03 | C04 | H39 | 108.5° | 109.6° |
| C03 | C04 | H40 | 108.5° | 109.8° |
| C04 | C03 | H41 | 109.1° | 109.6° |
| C10 | C05 | C04 | 119.7° | 118.8° |
| C10 | C05 | C06 | 123.5° | 120.6° |
| C05 | C10 | H35 | 108.3° | 109.6° |
| C05 | C10 | H36 | 108.3° | 109.6° |
| C04 | C05 | C06 | 116.8° | 120.5° |
| C05 | C04 | H39 | 108.6° | 109.6° |
| C05 | C04 | H40 | 108.5° | 109.6° |
| C05 | C06 | C07 | 126.2° | 120.0° |
| C05 | C06 | H34 | 116.9° | 120.0° |
| C06 | C07 | C08 | 123.9° | 120.0° |
| C06 | C07 | H33 | 118.0° | 120.0° |
| C07 | C06 | H34 | 116.9° | 120.0° |
| C07 | C08 | C14 | 125.3° | 122.9° |
| C07 | C08 | C09 | 123.8° | 121.8° |
| C08 | C07 | H33 | 118.0° | 120.0° |
| C14 | C08 | C09 | 111.0° | 115.3° |
| C08 | C14 | C15 | 119.3° | 118.3° |
| C08 | C14 | C13 | 107.1° | 104.3° |
| C08 | C14 | H3 | 108.8° | 111.5° |
| C08 | C09 | C11 | 112.8° | 111.1° |
| C08 | C09 | H31 | 108.6° | 109.5° |
| C08 | C09 | H32 | 108.6° | 108.6° |
| C14 | C15 | C16 | 96.5° | 102.5° |
| C15 | C14 | C13 | 102.7° | 98.2° |
| C15 | C14 | H3 | 109.4° | 111.5° |
| C14 | C15 | H4 | 112.6° | 110.8° |
| C14 | C15 | H5 | 112.6° | 110.9° |
| C15 | C16 | C17 | 109.9° | 110.4° |
| C16 | C15 | H4 | 112.6° | 110.8° |
| C16 | C15 | H5 | 112.6° | 110.8° |
| C15 | C16 | H6 | 125.0° | 124.8° |
| C28 | C26 | C24 | 121.1° | 109.4° |
| C28 | C26 | H18 | 106.5° | 109.5° |
| C28 | C26 | H19 | 106.5° | 109.5° |
| C26 | C28 | H20 | 109.5° | 109.5° |
| C26 | C28 | H21 | 109.5° | 109.5° |
| C26 | C28 | H22 | 109.4° | 109.4° |
| C14 | C13 | C18 | 118.7° | 105.9° |
| C14 | C13 | C17 | 96.3° | 104.2° |
| C14 | C13 | C12 | 107.2° | 108.5° |
| C13 | C14 | H3 | 109.1° | 112.0° |
| C18 | C13 | C17 | 107.3° | 107.1° |
| C18 | C13 | C12 | 110.0° | 107.2° |
| C13 | C18 | H26 | 109.5° | 109.5° |
| C13 | C18 | H27 | 109.5° | 109.4° |
| C13 | C18 | H28 | 109.5° | 109.5° |
| C09 | C11 | C12 | 113.0° | 112.1° |
| C09 | C11 | H29 | 108.6° | 108.9° |
| C09 | C11 | H30 | 108.6° | 108.9° |
| C11 | C09 | H31 | 108.6° | 109.2° |
| C11 | C09 | H32 | 108.7° | 109.2° |
| C16 | C17 | C13 | 109.5° | 108.6° |
| C16 | C17 | C20 | 127.0° | 125.7° |
| C17 | C16 | H6 | 125.0° | 124.8° |
| C26 | C24 | C23 | 108.0° | 109.4° |
| C26 | C24 | O03 | 107.8° | 109.4° |
| C26 | C24 | C27 | 115.0° | 109.5° |
| C24 | C26 | H18 | 106.5° | 109.4° |
| C24 | C26 | H19 | 106.5° | 109.5° |
| C17 | C13 | C12 | 117.1° | 122.8° |
| C13 | C17 | C20 | 123.6° | 125.7° |
| C13 | C12 | C11 | 112.8° | 107.5° |
| C13 | C12 | H1 | 108.6° | 109.9° |
| C13 | C12 | H2 | 108.6° | 109.9° |
| C11 | C12 | H1 | 108.7° | 109.9° |
| C11 | C12 | H2 | 108.7° | 109.9° |
| C12 | C11 | H29 | 108.6° | 109.0° |
| C12 | C11 | H30 | 108.6° | 109.0° |
| C17 | C20 | S22 | 112.8° | 109.5° |
| C17 | C20 | C21 | 109.4° | 109.4° |
| C17 | C20 | H24 | 108.6° | 109.5° |
| C24 | C23 | S22 | 116.6° | 109.4° |
| C23 | C24 | O03 | 108.3° | 109.5° |
| C23 | C24 | C27 | 109.2° | 109.5° |
| C24 | C23 | H11 | 107.7° | 109.5° |
| C24 | C23 | H12 | 107.7° | 109.5° |
| C23 | S22 | C20 | 103.5° | 103.0° |
| S22 | C23 | H11 | 107.6° | 109.5° |
| S22 | C23 | H12 | 107.7° | 109.5° |
| O03 | C24 | C27 | 108.4° | 109.5° |
| C24 | O03 | H23 | 109.5° | 113.9° |
| C24 | C27 | C29 | 120.6° | 109.5° |
| C24 | C27 | H16 | 106.6° | 109.5° |
| C24 | C27 | H17 | 106.6° | 109.4° |
| C27 | C29 | H13 | 109.5° | 109.4° |
| C27 | C29 | H14 | 109.5° | 109.5° |
| C27 | C29 | H15 | 109.5° | 109.5° |
| C29 | C27 | H16 | 106.6° | 109.5° |
| C29 | C27 | H17 | 106.6° | 109.5° |
| S22 | C20 | C21 | 111.0° | 109.4° |
| S22 | C20 | H24 | 105.8° | 109.5° |
| C20 | C21 | H8 | 109.5° | 109.5° |
| C20 | C21 | H9 | 109.5° | 109.4° |
| C20 | C21 | H10 | 109.4° | 109.4° |
| C21 | C20 | H24 | 109.1° | 109.5° |
| H1 | C12 | H2 | 109.5° | 109.9° |
| H4 | C15 | H5 | 109.5° | 110.8° |
| H8 | C21 | H9 | 109.4° | 109.5° |
| H8 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C29 | H14 | 109.4° | 109.5° |
| H13 | C29 | H15 | 109.4° | 109.4° |
| H14 | C29 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H20 | C28 | H22 | 109.5° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.4° |
| H29 | C11 | H30 | 109.5° | 108.9° |
| H31 | C09 | H32 | 109.5° | 109.2° |
| H35 | C10 | H36 | 109.5° | 109.6° |
| H39 | C04 | H40 | 109.5° | 109.6° |
| H44 | C31 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C31 | C30 | H44 | 120.2° | 120.0° |
| O04 | C31 | C30 | H45 | 120.2° | 120.0° |
| O04 | C31 | C30 | C02 | 170.8° | 133.6° |
| O04 | C31 | C30 | H43 | 9.2° | 46.4° |
| O04 | C31 | H44 | H45 | 119.3° | 120.0° |
| C31 | C30 | C02 | H43 | 180.0° | 180.0° |
| C31 | C30 | C02 | C01 | 180.0° | 7.3° |
| C31 | C30 | C02 | C03 | 0.2° | 172.4° |
| C30 | C31 | H44 | H45 | 119.3° | 120.0° |
| C30 | C31 | O04 | H46 | 180.0° | 180.0° |
| C30 | C02 | C01 | O01 | 5.1° | 115.5° |
| C30 | C02 | C01 | C03 | 179.8° | 179.7° |
| C30 | C02 | C01 | C10 | 126.5° | 124.7° |
| C30 | C02 | C03 | O02 | 116.6° | 5.0° |
| C30 | C02 | C03 | C04 | 124.5° | 124.6° |
| C30 | C02 | C01 | H37 | 115.8° | 5.0° |
| C30 | C02 | C03 | H41 | 4.7° | 115.4° |
| C02 | C30 | C31 | H44 | 69.0° | 106.4° |
| C02 | C30 | C31 | H45 | 50.6° | 13.6° |
| O01 | C01 | C02 | C10 | 121.4° | 119.8° |
| O01 | C01 | C02 | H37 | 120.9° | 120.5° |
| O01 | C01 | C02 | C03 | 174.7° | 64.2° |
| O01 | C01 | C10 | H37 | 119.2° | 120.4° |
| O01 | C01 | C10 | C05 | 165.3° | 70.4° |
| O01 | C01 | C10 | H35 | 44.6° | 169.8° |
| O01 | C01 | C10 | H36 | 74.1° | 49.4° |
| C02 | C01 | C10 | H37 | 117.7° | 119.7° |
| C01 | C02 | C03 | O02 | 63.6° | 175.3° |
| C01 | C02 | C03 | C04 | 55.3° | 55.7° |
| C02 | C01 | C10 | C05 | 42.1° | 49.4° |
| C02 | C01 | C10 | H35 | 78.5° | 70.3° |
| C02 | C01 | C10 | H36 | 162.8° | 169.3° |
| C02 | C01 | O01 | H38 | 180.0° | 179.2° |
| C01 | C02 | C03 | H41 | 175.1° | 64.3° |
| C01 | C02 | C30 | H43 | 0.0° | 172.7° |
| C03 | C02 | C01 | C10 | 53.3° | 55.6° |
| C02 | C03 | O02 | C04 | 120.2° | 119.1° |
| C02 | C03 | O02 | H41 | 120.1° | 120.6° |
| C02 | C03 | C04 | H41 | 119.7° | 120.1° |
| C02 | C03 | C04 | C05 | 45.2° | 49.6° |
| C03 | C02 | C01 | H37 | 64.4° | 175.3° |
| C02 | C03 | C04 | H39 | 165.8° | 169.3° |
| C02 | C03 | C04 | H40 | 75.3° | 70.2° |
| C02 | C03 | O02 | H42 | 180.0° | 179.1° |
| C03 | C02 | C30 | H43 | 179.8° | 7.6° |
| C01 | C10 | C05 | H35 | 120.7° | 119.7° |
| C01 | C10 | C05 | H36 | 120.7° | 119.9° |
| C01 | C10 | C05 | C04 | 38.8° | 55.0° |
| C01 | C10 | C05 | C06 | 141.6° | 124.7° |
| C01 | C10 | H35 | H36 | 117.9° | 120.5° |
| C10 | C01 | O01 | H38 | 58.2° | 60.0° |
| O02 | C03 | C04 | H41 | 121.0° | 120.3° |
| O02 | C03 | C04 | C05 | 74.2° | 169.2° |
| O02 | C03 | C04 | H39 | 46.4° | 71.1° |
| O02 | C03 | C04 | H40 | 165.3° | 49.3° |
| C03 | C04 | C05 | C10 | 40.2° | 55.0° |
| C03 | C04 | C05 | H39 | 120.6° | 119.7° |
| C03 | C04 | C05 | H40 | 120.5° | 119.9° |
| C03 | C04 | C05 | C06 | 140.2° | 124.7° |
| C03 | C04 | H39 | H40 | 118.3° | 120.5° |
| C04 | C03 | O02 | H42 | 59.8° | 60.0° |
| C10 | C05 | C04 | C06 | 179.6° | 179.8° |
| C10 | C05 | C06 | C07 | 0.1° | 173.8° |
| C10 | C05 | C06 | H34 | 180.0° | 6.2° |
| C05 | C10 | H35 | H36 | 117.9° | 120.4° |
| C05 | C10 | C01 | H37 | 75.6° | 169.2° |
| C10 | C05 | C04 | H39 | 160.8° | 174.7° |
| C10 | C05 | C04 | H40 | 80.3° | 64.9° |
| C04 | C05 | C06 | C07 | 179.5° | 6.0° |
| C04 | C05 | C06 | H34 | 0.5° | 174.1° |
| C04 | C05 | C10 | H35 | 81.8° | 64.7° |
| C04 | C05 | C10 | H36 | 159.5° | 174.9° |
| C05 | C04 | H39 | H40 | 118.3° | 120.4° |
| C05 | C04 | C03 | H41 | 164.9° | 70.5° |
| C05 | C06 | C07 | H34 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 173.7° | 174.7° |
| C05 | C06 | C07 | H33 | 6.3° | 5.4° |
| C06 | C05 | C10 | H35 | 97.7° | 115.5° |
| C06 | C05 | C10 | H36 | 21.0° | 4.9° |
| C06 | C05 | C04 | H39 | 19.7° | 5.0° |
| C06 | C05 | C04 | H40 | 99.3° | 115.4° |
| C06 | C07 | C08 | H33 | 180.0° | 179.9° |
| C06 | C07 | C08 | C14 | 178.8° | 173.8° |
| C06 | C07 | C08 | C09 | 0.2° | 7.1° |
| C07 | C08 | C14 | C09 | 179.1° | 179.1° |
| C07 | C08 | C14 | C15 | 0.3° | 12.4° |
| C07 | C08 | C14 | C13 | 115.5° | 120.2° |
| C07 | C08 | C09 | C11 | 126.1° | 128.4° |
| C07 | C08 | C14 | H3 | 126.7° | 118.8° |
| C07 | C08 | C09 | H31 | 113.4° | 7.7° |
| C07 | C08 | C09 | H32 | 5.6° | 111.4° |
| C08 | C07 | C06 | H34 | 6.3° | 5.3° |
| C08 | C14 | C15 | C13 | 118.2° | 111.2° |
| C08 | C14 | C15 | H3 | 126.1° | 131.2° |
| C08 | C14 | C15 | C16 | 164.8° | 147.1° |
| C08 | C14 | C13 | H3 | 117.6° | 120.7° |
| C08 | C14 | C13 | C18 | 59.8° | 47.4° |
| C14 | C08 | C09 | C11 | 53.0° | 50.7° |
| C08 | C14 | C13 | C17 | 173.5° | 160.2° |
| C08 | C14 | C13 | C12 | 65.5° | 67.4° |
| C08 | C14 | C15 | H4 | 46.9° | 28.9° |
| C08 | C14 | C15 | H5 | 77.4° | 94.6° |
| C14 | C08 | C09 | H31 | 67.5° | 171.4° |
| C14 | C08 | C09 | H32 | 173.5° | 69.5° |
| C14 | C08 | C07 | H33 | 1.2° | 6.1° |
| C09 | C08 | C14 | C15 | 179.5° | 166.7° |
| C09 | C08 | C14 | C13 | 63.6° | 58.9° |
| C08 | C09 | C11 | H31 | 120.5° | 120.9° |
| C08 | C09 | C11 | H32 | 120.5° | 119.8° |
| C08 | C09 | C11 | C12 | 45.2° | 47.4° |
| C09 | C08 | C14 | H3 | 54.1° | 62.1° |
| C08 | C09 | C11 | H29 | 165.6° | 73.4° |
| C08 | C09 | C11 | H30 | 75.4° | 168.0° |
| C08 | C09 | H31 | H32 | 118.5° | 118.8° |
| C09 | C08 | C07 | H33 | 179.8° | 172.9° |
| C14 | C15 | C16 | H4 | 117.8° | 118.2° |
| C14 | C15 | C16 | H5 | 117.8° | 118.3° |
| C15 | C14 | C13 | H3 | 116.0° | 117.2° |
| C15 | C14 | C13 | C18 | 66.7° | 74.7° |
| C14 | C15 | C16 | C17 | 28.8° | 23.3° |
| C15 | C14 | C13 | C17 | 47.0° | 38.1° |
| C15 | C14 | C13 | C12 | 168.0° | 170.5° |
| C14 | C15 | H4 | H5 | 126.0° | 123.5° |
| C14 | C15 | C16 | H6 | 151.2° | 156.8° |
| C16 | C15 | C14 | C13 | 46.6° | 35.9° |
| C15 | C16 | C17 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | C13 | 0.5° | 1.9° |
| C15 | C16 | C17 | C20 | 178.4° | 178.1° |
| C16 | C15 | C14 | H3 | 69.1° | 81.6° |
| C16 | C15 | H4 | H5 | 126.1° | 123.5° |
| C28 | C26 | C24 | H18 | 121.6° | 120.0° |
| C28 | C26 | C24 | H19 | 121.6° | 120.0° |
| C28 | C26 | C24 | C23 | 83.8° | 175.0° |
| C28 | C26 | C24 | O03 | 159.4° | 65.0° |
| C28 | C26 | C24 | C27 | 38.4° | 55.0° |
| C28 | C26 | H18 | H19 | 114.7° | 120.0° |
| C26 | C28 | H20 | H21 | 120.0° | 120.0° |
| C26 | C28 | H20 | H22 | 120.0° | 120.0° |
| C26 | C28 | H21 | H22 | 120.0° | 119.9° |
| C14 | C13 | C18 | C17 | 107.6° | 110.8° |
| C14 | C13 | C18 | C12 | 124.0° | 115.7° |
| C14 | C13 | C17 | C16 | 29.1° | 26.2° |
| C14 | C13 | C17 | C12 | 113.1° | 123.6° |
| C14 | C13 | C12 | C11 | 59.6° | 67.8° |
| C14 | C13 | C17 | C20 | 149.9° | 153.8° |
| C14 | C13 | C12 | H1 | 179.9° | 172.7° |
| C14 | C13 | C12 | H2 | 60.9° | 51.7° |
| C13 | C14 | C15 | H4 | 71.2° | 82.3° |
| C13 | C14 | C15 | H5 | 164.4° | 154.2° |
| C14 | C13 | C18 | H26 | 180.0° | 179.5° |
| C14 | C13 | C18 | H27 | 60.0° | 59.5° |
| C14 | C13 | C18 | H28 | 60.0° | 60.5° |
| C18 | C13 | C17 | C16 | 93.7° | 85.7° |
| C18 | C13 | C17 | C12 | 124.1° | 124.5° |
| C18 | C13 | C12 | C11 | 70.8° | 46.1° |
| C18 | C13 | C17 | C20 | 87.3° | 94.3° |
| C18 | C13 | C12 | H1 | 49.7° | 73.4° |
| C18 | C13 | C12 | H2 | 168.7° | 165.6° |
| C18 | C13 | C14 | H3 | 177.4° | 168.1° |
| C13 | C18 | H26 | H27 | 120.0° | 120.0° |
| C13 | C18 | H26 | H28 | 120.0° | 120.0° |
| C13 | C18 | H27 | H28 | 120.0° | 120.0° |
| C09 | C11 | C12 | C13 | 49.2° | 57.1° |
| C09 | C11 | C12 | H29 | 120.5° | 120.7° |
| C09 | C11 | C12 | H30 | 120.5° | 120.6° |
| C09 | C11 | C12 | H1 | 169.7° | 176.6° |
| C09 | C11 | C12 | H2 | 71.3° | 62.4° |
| C09 | C11 | H29 | H30 | 118.4° | 118.6° |
| C11 | C09 | H31 | H32 | 118.5° | 119.3° |
| C16 | C17 | C13 | C20 | 179.0° | 180.0° |
| C16 | C17 | C13 | C12 | 142.1° | 149.7° |
| C16 | C17 | C20 | S22 | 119.0° | 10.0° |
| C16 | C17 | C20 | C21 | 5.0° | 109.9° |
| C17 | C16 | C15 | H4 | 89.0° | 94.9° |
| C17 | C16 | C15 | H5 | 146.6° | 141.6° |
| C16 | C17 | C20 | H24 | 124.1° | 130.0° |
| C26 | C24 | C23 | O03 | 116.5° | 120.0° |
| C26 | C24 | C23 | C27 | 125.7° | 120.0° |
| C26 | C24 | C23 | S22 | 177.8° | 174.6° |
| C26 | C24 | O03 | C27 | 125.0° | 120.0° |
| C26 | C24 | C27 | C29 | 77.4° | 56.6° |
| C26 | C24 | C23 | H11 | 61.2° | 65.4° |
| C26 | C24 | C23 | H12 | 56.8° | 54.7° |
| C26 | C24 | C27 | H16 | 44.2° | 63.4° |
| C26 | C24 | C27 | H17 | 161.1° | 176.6° |
| C24 | C26 | H18 | H19 | 114.8° | 120.0° |
| C24 | C26 | C28 | H20 | 180.0° | 60.0° |
| C24 | C26 | C28 | H21 | 60.0° | 60.0° |
| C24 | C26 | C28 | H22 | 60.0° | 180.0° |
| C26 | C24 | O03 | H23 | 180.0° | 60.0° |
| C17 | C13 | C12 | C11 | 166.4° | 170.6° |
| C13 | C17 | C20 | S22 | 62.2° | 170.0° |
| C13 | C17 | C20 | C21 | 173.8° | 70.1° |
| C17 | C13 | C12 | H1 | 73.1° | 51.1° |
| C17 | C13 | C12 | H2 | 45.9° | 69.9° |
| C17 | C13 | C14 | H3 | 68.9° | 79.1° |
| C13 | C17 | C16 | H6 | 179.5° | 178.0° |
| C13 | C17 | C20 | H24 | 54.7° | 50.0° |
| C17 | C13 | C18 | H26 | 72.4° | 69.7° |
| C17 | C13 | C18 | H27 | 167.6° | 170.2° |
| C17 | C13 | C18 | H28 | 47.6° | 50.3° |
| C13 | C12 | C11 | H1 | 120.5° | 119.5° |
| C13 | C12 | C11 | H2 | 120.5° | 119.5° |
| C12 | C13 | C17 | C20 | 36.8° | 30.3° |
| C13 | C12 | H1 | H2 | 118.5° | 121.0° |
| C12 | C13 | C14 | H3 | 52.1° | 53.3° |
| C12 | C13 | C18 | H26 | 56.0° | 63.9° |
| C12 | C13 | C18 | H27 | 64.0° | 56.2° |
| C12 | C13 | C18 | H28 | 176.0° | 176.1° |
| C13 | C12 | C11 | H29 | 169.7° | 63.6° |
| C13 | C12 | C11 | H30 | 71.3° | 177.6° |
| C11 | C12 | H1 | H2 | 118.5° | 121.0° |
| C12 | C11 | H29 | H30 | 118.4° | 118.8° |
| C12 | C11 | C09 | H31 | 75.4° | 168.3° |
| C12 | C11 | C09 | H32 | 165.6° | 72.4° |
| C17 | C20 | S22 | C23 | 61.3° | 175.0° |
| C17 | C20 | S22 | C21 | 123.2° | 120.0° |
| C17 | C20 | S22 | H24 | 118.5° | 120.0° |
| C17 | C20 | C21 | H24 | 118.7° | 120.0° |
| C20 | C17 | C16 | H6 | 1.6° | 2.0° |
| C17 | C20 | C21 | H8 | 180.0° | 60.0° |
| C17 | C20 | C21 | H9 | 60.0° | 60.0° |
| C17 | C20 | C21 | H10 | 60.0° | 180.0° |
| C24 | C23 | S22 | H11 | 121.0° | 120.0° |
| C24 | C23 | S22 | H12 | 121.0° | 120.0° |
| C23 | C24 | O03 | C27 | 118.3° | 120.1° |
| C23 | C24 | C27 | C29 | 44.2° | 63.4° |
| C24 | C23 | S22 | C20 | 122.1° | 180.0° |
| C24 | C23 | H11 | H12 | 116.8° | 120.0° |
| C23 | C24 | C27 | H16 | 165.8° | 176.6° |
| C23 | C24 | C27 | H17 | 77.4° | 56.6° |
| C23 | C24 | C26 | H18 | 154.6° | 55.0° |
| C23 | C24 | C26 | H19 | 37.8° | 65.0° |
| C23 | C24 | O03 | H23 | 63.4° | 59.9° |
| S22 | C23 | C24 | O03 | 65.7° | 65.4° |
| S22 | C23 | C24 | C27 | 52.2° | 54.6° |
| C23 | S22 | C20 | C21 | 61.9° | 65.0° |
| S22 | C23 | H11 | H12 | 116.8° | 120.0° |
| C23 | S22 | C20 | H24 | 179.8° | 55.0° |
| O03 | C24 | C27 | C29 | 162.0° | 176.6° |
| O03 | C24 | C23 | H11 | 55.3° | 54.6° |
| O03 | C24 | C23 | H12 | 173.3° | 174.6° |
| O03 | C24 | C27 | H16 | 76.5° | 56.5° |
| O03 | C24 | C27 | H17 | 40.4° | 63.4° |
| O03 | C24 | C26 | H18 | 37.8° | 175.0° |
| O03 | C24 | C26 | H19 | 79.0° | 55.0° |
| C24 | C27 | C29 | H16 | 121.6° | 120.0° |
| C24 | C27 | C29 | H17 | 121.5° | 120.0° |
| C27 | C24 | C23 | H11 | 173.2° | 174.6° |
| C27 | C24 | C23 | H12 | 68.9° | 65.3° |
| C24 | C27 | C29 | H13 | 180.0° | 175.9° |
| C24 | C27 | C29 | H14 | 60.0° | 64.1° |
| C24 | C27 | C29 | H15 | 60.0° | 56.0° |
| C24 | C27 | H16 | H17 | 115.0° | 120.0° |
| C27 | C24 | C26 | H18 | 83.2° | 65.0° |
| C27 | C24 | C26 | H19 | 160.0° | 175.0° |
| C27 | C24 | O03 | H23 | 54.9° | 180.0° |
| C27 | C29 | H13 | H14 | 120.0° | 120.0° |
| C27 | C29 | H13 | H15 | 120.0° | 120.0° |
| C27 | C29 | H14 | H15 | 120.0° | 120.0° |
| C29 | C27 | H16 | H17 | 115.0° | 120.0° |
| S22 | C20 | C21 | H24 | 116.2° | 120.0° |
| S22 | C20 | C21 | H8 | 54.9° | 60.0° |
| S22 | C20 | C21 | H9 | 65.1° | 180.0° |
| S22 | C20 | C21 | H10 | 174.9° | 60.1° |
| C20 | S22 | C23 | H11 | 1.1° | 60.0° |
| C20 | S22 | C23 | H12 | 116.8° | 60.0° |
| C20 | C21 | H8 | H9 | 120.0° | 120.0° |
| C20 | C21 | H8 | H10 | 120.0° | 120.0° |
| C20 | C21 | H9 | H10 | 120.0° | 119.9° |
| H1 | C12 | C11 | H29 | 69.8° | 55.9° |
| H1 | C12 | C11 | H30 | 49.2° | 62.9° |
| H2 | C12 | C11 | H29 | 49.2° | 176.9° |
| H2 | C12 | C11 | H30 | 168.2° | 58.1° |
| H3 | C14 | C15 | H4 | 173.1° | 160.1° |
| H3 | C14 | C15 | H5 | 48.7° | 36.7° |
| H4 | C15 | C16 | H6 | 91.0° | 85.0° |
| H5 | C15 | C16 | H6 | 33.4° | 38.4° |
| H8 | C21 | H9 | H10 | 120.0° | 120.1° |
| H8 | C21 | C20 | H24 | 61.3° | 180.0° |
| H9 | C21 | C20 | H24 | 178.7° | 60.0° |
| H10 | C21 | C20 | H24 | 58.7° | 59.9° |
| H13 | C29 | H14 | H15 | 119.9° | 120.0° |
| H13 | C29 | C27 | H16 | 58.4° | 55.9° |
| H13 | C29 | C27 | H17 | 58.5° | 64.1° |
| H14 | C29 | C27 | H16 | 178.4° | 175.9° |
| H14 | C29 | C27 | H17 | 61.5° | 55.9° |
| H15 | C29 | C27 | H16 | 61.6° | 64.0° |
| H15 | C29 | C27 | H17 | 178.5° | 176.0° |
| H18 | C26 | C28 | H20 | 58.4° | 179.9° |
| H18 | C26 | C28 | H21 | 61.6° | 59.9° |
| H18 | C26 | C28 | H22 | 178.4° | 60.0° |
| H19 | C26 | C28 | H20 | 58.4° | 60.0° |
| H19 | C26 | C28 | H21 | 178.4° | 180.0° |
| H19 | C26 | C28 | H22 | 61.6° | 60.0° |
| H20 | C28 | H21 | H22 | 120.0° | 120.1° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| H29 | C11 | C09 | H31 | 45.1° | 47.6° |
| H29 | C11 | C09 | H32 | 73.9° | 166.9° |
| H30 | C11 | C09 | H31 | 164.1° | 71.1° |
| H30 | C11 | C09 | H32 | 45.1° | 48.2° |
| H33 | C07 | C06 | H34 | 173.7° | 174.6° |
| H35 | C10 | C01 | H37 | 163.8° | 49.4° |
| H36 | C10 | C01 | H37 | 45.1° | 71.0° |
| H37 | C01 | O01 | H38 | 60.0° | 60.4° |
| H39 | C04 | C03 | H41 | 74.6° | 49.2° |
| H40 | C04 | C03 | H41 | 44.3° | 169.7° |
| H41 | C03 | O02 | H42 | 60.0° | 60.4° |
| H43 | C30 | C31 | H44 | 111.0° | 73.6° |
| H43 | C30 | C31 | H45 | 129.4° | 166.4° |
| H44 | C31 | O04 | H46 | 59.8° | 60.0° |
| H45 | C31 | O04 | H46 | 59.7° | 60.0° |
