E4Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C84 | C81 | sing | 1.53Å | 1.51Å | |
| C81 | C78 | sing | 1.53Å | 1.57Å | |
| C78 | C75 | sing | 1.53Å | 1.54Å | |
| C75 | N73 | sing | 1.46Å | 1.50Å | |
| N73 | C71 | sing | 1.35Å | 1.33Å | |
| O72 | C71 | doub | 1.21Å | 1.23Å | |
| C71 | C65 | sing | 1.51Å | 1.52Å | |
| C67 | C65 | sing | 1.53Å | 1.50Å | |
| C65 | C62 | sing | 1.53Å | 1.54Å | |
| C62 | C58 | sing | 1.53Å | 1.52Å | |
| O45 | C44 | doub | 1.23Å | 1.23Å | |
| C58 | C3 | sing | 1.54Å | 1.54Å | |
| C58 | O60 | sing | 1.43Å | 1.43Å | |
| C54 | C8 | sing | 1.52Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.46Å | 1.51Å | |
| C44 | N1 | sing | 1.33Å | 1.34Å | |
| C44 | C30 | sing | 1.47Å | 1.49Å | |
| C5 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C10 | sing | 1.52Å | 1.54Å | |
| C31 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| O36 | C33 | sing | 1.36Å | 1.37Å | |
| O36 | C37 | sing | 1.43Å | 1.44Å | |
| C40 | C37 | sing | 1.53Å | 1.49Å | |
| C10 | C13 | sing | 1.52Å | 1.55Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C16 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C19 | sing | 1.53Å | 1.55Å | |
| C34 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.48Å | 1.50Å | |
| C19 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | N25 | sing | 1.48Å | 1.48Å | |
| C26 | N25 | sing | 1.37Å | 1.35Å | |
| C26 | O46 | doub | 1.22Å | 1.22Å | |
| N25 | C47 | sing | 1.47Å | 1.48Å | |
| C47 | C50 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.08Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.11Å | 1.10Å | |
| C10 | H5 | sing | 1.10Å | 1.10Å | |
| C10 | H6 | sing | 1.10Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.10Å | |
| C13 | H8 | sing | 1.11Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C47 | H23 | sing | 1.09Å | 1.10Å | |
| C47 | H24 | sing | 1.09Å | 1.10Å | |
| C50 | H25 | sing | 1.09Å | 1.10Å | |
| C50 | H26 | sing | 1.09Å | 1.10Å | |
| C50 | H27 | sing | 1.09Å | 1.10Å | |
| C54 | H28 | sing | 1.09Å | 1.10Å | |
| C54 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C58 | H31 | sing | 1.09Å | 1.10Å | |
| C62 | H32 | sing | 1.09Å | 1.10Å | |
| C62 | H33 | sing | 1.09Å | 1.10Å | |
| C65 | H34 | sing | 1.09Å | 1.10Å | |
| C67 | H35 | sing | 1.09Å | 1.10Å | |
| C67 | H36 | sing | 1.09Å | 1.10Å | |
| C67 | H37 | sing | 1.09Å | 1.10Å | |
| C75 | H38 | sing | 1.09Å | 1.10Å | |
| C75 | H39 | sing | 1.09Å | 1.10Å | |
| C78 | H40 | sing | 1.09Å | 1.10Å | |
| C78 | H41 | sing | 1.09Å | 1.10Å | |
| C81 | H42 | sing | 1.09Å | 1.10Å | |
| C81 | H43 | sing | 1.09Å | 1.10Å | |
| C84 | H44 | sing | 1.09Å | 1.10Å | |
| C84 | H45 | sing | 1.09Å | 1.10Å | |
| C84 | H46 | sing | 1.09Å | 1.10Å | |
| N1 | H47 | sing | 0.98Å | 1.00Å | |
| N73 | H48 | sing | 0.97Å | 1.00Å | |
| O60 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C84 | C81 | C78 | 113.6° | 109.4° |
| C84 | C81 | H42 | 108.4° | 109.5° |
| C84 | C81 | H43 | 108.5° | 109.4° |
| C81 | C84 | H44 | 109.5° | 109.4° |
| C81 | C84 | H45 | 109.4° | 109.5° |
| C81 | C84 | H46 | 109.5° | 109.5° |
| C81 | C78 | C75 | 114.6° | 109.4° |
| C81 | C78 | H40 | 108.2° | 109.5° |
| C81 | C78 | H41 | 108.2° | 109.5° |
| C78 | C81 | H42 | 108.5° | 109.5° |
| C78 | C81 | H43 | 108.4° | 109.5° |
| C78 | C75 | N73 | 112.5° | 109.5° |
| C78 | C75 | H38 | 108.7° | 109.5° |
| C78 | C75 | H39 | 108.7° | 109.4° |
| C75 | C78 | H40 | 108.2° | 109.4° |
| C75 | C78 | H41 | 108.2° | 109.5° |
| C75 | N73 | C71 | 121.9° | 120.0° |
| N73 | C75 | H38 | 108.7° | 109.5° |
| N73 | C75 | H39 | 108.7° | 109.5° |
| C75 | N73 | H48 | 119.0° | 120.0° |
| N73 | C71 | O72 | 122.6° | 120.0° |
| N73 | C71 | C65 | 116.9° | 120.0° |
| C71 | N73 | H48 | 119.0° | 120.0° |
| O72 | C71 | C65 | 120.4° | 120.0° |
| C71 | C65 | C67 | 108.4° | 109.5° |
| C71 | C65 | C62 | 111.4° | 109.5° |
| C71 | C65 | H34 | 108.5° | 109.5° |
| C67 | C65 | C62 | 111.2° | 109.5° |
| C67 | C65 | H34 | 108.9° | 109.5° |
| C65 | C67 | H35 | 109.5° | 109.5° |
| C65 | C67 | H36 | 109.5° | 109.5° |
| C65 | C67 | H37 | 109.5° | 109.5° |
| C65 | C62 | C58 | 112.2° | 109.5° |
| C65 | C62 | H32 | 108.8° | 109.5° |
| C65 | C62 | H33 | 108.8° | 109.5° |
| C62 | C65 | H34 | 108.4° | 109.4° |
| C62 | C58 | C3 | 113.6° | 109.5° |
| C62 | C58 | O60 | 110.2° | 109.5° |
| C62 | C58 | H31 | 106.6° | 109.5° |
| C58 | C62 | H32 | 108.8° | 109.5° |
| C58 | C62 | H33 | 108.8° | 109.5° |
| O45 | C44 | N1 | 122.0° | 116.4° |
| O45 | C44 | C30 | 120.8° | 116.7° |
| C3 | C58 | O60 | 112.1° | 109.5° |
| C58 | C3 | C5 | 113.1° | 108.6° |
| C58 | C3 | N1 | 114.3° | 108.9° |
| C58 | C3 | H1 | 106.8° | 108.6° |
| C3 | C58 | H31 | 106.4° | 109.4° |
| O60 | C58 | H31 | 107.7° | 109.5° |
| C58 | O60 | H49 | 109.5° | 114.0° |
| C54 | C8 | C5 | 110.6° | 110.4° |
| C54 | C8 | C10 | 111.2° | 114.1° |
| C54 | C8 | H4 | 107.3° | 107.7° |
| C8 | C54 | H28 | 109.5° | 109.5° |
| C8 | C54 | H29 | 109.4° | 109.5° |
| C8 | C54 | H30 | 109.4° | 109.5° |
| C5 | C3 | N1 | 108.1° | 109.2° |
| C3 | C5 | C8 | 111.5° | 111.4° |
| C5 | C3 | H1 | 107.0° | 110.1° |
| C3 | C5 | H2 | 109.0° | 109.8° |
| C3 | C5 | H3 | 108.9° | 108.8° |
| C3 | N1 | C44 | 122.9° | 124.9° |
| N1 | C3 | H1 | 107.1° | 111.4° |
| C3 | N1 | H47 | 118.6° | 117.4° |
| N1 | C44 | C30 | 117.1° | 126.9° |
| C44 | N1 | H47 | 118.6° | 117.6° |
| C44 | C30 | C31 | 120.9° | 117.9° |
| C44 | C30 | C28 | 119.0° | 122.9° |
| C5 | C8 | C10 | 112.8° | 109.9° |
| C8 | C5 | H2 | 108.9° | 109.3° |
| C8 | C5 | H3 | 108.9° | 108.6° |
| C5 | C8 | H4 | 107.3° | 106.8° |
| C8 | C10 | C13 | 115.3° | 115.6° |
| C10 | C8 | H4 | 107.3° | 107.7° |
| C8 | C10 | H5 | 108.0° | 108.7° |
| C8 | C10 | H6 | 108.0° | 108.9° |
| C30 | C31 | C33 | 119.5° | 120.4° |
| C31 | C30 | C28 | 119.7° | 119.2° |
| C30 | C31 | H16 | 120.2° | 119.5° |
| C31 | C33 | O36 | 116.2° | 119.8° |
| C31 | C33 | C34 | 121.2° | 120.2° |
| C33 | C31 | H16 | 120.3° | 120.2° |
| C30 | C28 | C27 | 120.4° | 120.6° |
| C30 | C28 | H15 | 119.8° | 119.9° |
| C33 | O36 | C37 | 117.9° | 117.0° |
| O36 | C33 | C34 | 122.6° | 119.9° |
| O36 | C37 | C40 | 107.4° | 109.4° |
| O36 | C37 | H18 | 110.0° | 109.5° |
| O36 | C37 | H19 | 110.0° | 109.5° |
| C40 | C37 | H18 | 110.0° | 109.5° |
| C40 | C37 | H19 | 110.0° | 109.4° |
| C37 | C40 | H20 | 109.5° | 109.4° |
| C37 | C40 | H21 | 109.5° | 109.4° |
| C37 | C40 | H22 | 109.5° | 109.5° |
| C10 | C13 | C16 | 114.2° | 110.0° |
| C13 | C10 | H5 | 108.0° | 108.4° |
| C13 | C10 | H6 | 108.0° | 108.5° |
| C10 | C13 | H7 | 108.2° | 114.9° |
| C10 | C13 | H8 | 108.3° | 107.9° |
| C33 | C34 | C27 | 119.4° | 120.0° |
| C33 | C34 | H17 | 120.3° | 120.2° |
| C13 | C16 | C19 | 114.1° | 109.6° |
| C16 | C13 | H7 | 108.3° | 111.0° |
| C16 | C13 | H8 | 108.3° | 106.7° |
| C13 | C16 | H9 | 108.3° | 109.1° |
| C13 | C16 | H10 | 108.3° | 109.6° |
| C28 | C27 | C34 | 119.6° | 119.7° |
| C28 | C27 | C26 | 118.3° | 121.8° |
| C27 | C28 | H15 | 119.8° | 119.5° |
| C16 | C19 | C22 | 110.8° | 110.0° |
| C19 | C16 | H9 | 108.3° | 109.4° |
| C19 | C16 | H10 | 108.3° | 110.1° |
| C16 | C19 | H11 | 109.1° | 110.2° |
| C16 | C19 | H12 | 109.2° | 108.9° |
| C34 | C27 | C26 | 121.8° | 118.5° |
| C27 | C34 | H17 | 120.3° | 119.8° |
| C27 | C26 | N25 | 119.2° | 120.5° |
| C27 | C26 | O46 | 119.1° | 119.0° |
| C19 | C22 | N25 | 114.9° | 109.4° |
| C22 | C19 | H11 | 109.2° | 110.3° |
| C22 | C19 | H12 | 109.1° | 109.0° |
| C19 | C22 | H13 | 108.1° | 109.7° |
| C19 | C22 | H14 | 108.1° | 109.5° |
| C22 | N25 | C26 | 127.4° | 115.1° |
| C22 | N25 | C47 | 115.3° | 122.3° |
| N25 | C22 | H13 | 108.1° | 109.5° |
| N25 | C22 | H14 | 108.1° | 109.8° |
| N25 | C26 | O46 | 121.6° | 120.4° |
| C26 | N25 | C47 | 117.4° | 122.5° |
| N25 | C47 | C50 | 110.5° | 109.5° |
| N25 | C47 | H23 | 109.2° | 109.5° |
| N25 | C47 | H24 | 109.2° | 109.5° |
| C50 | C47 | H23 | 109.2° | 109.5° |
| C50 | C47 | H24 | 109.2° | 109.5° |
| C47 | C50 | H25 | 109.5° | 109.5° |
| C47 | C50 | H26 | 109.4° | 109.4° |
| C47 | C50 | H27 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 108.9° |
| H5 | C10 | H6 | 109.4° | 106.4° |
| H7 | C13 | H8 | 109.5° | 105.8° |
| H9 | C16 | H10 | 109.5° | 109.1° |
| H11 | C19 | H12 | 109.5° | 108.2° |
| H13 | C22 | H14 | 109.5° | 108.9° |
| H18 | C37 | H19 | 109.5° | 109.5° |
| H20 | C40 | H21 | 109.5° | 109.4° |
| H20 | C40 | H22 | 109.4° | 109.5° |
| H21 | C40 | H22 | 109.5° | 109.5° |
| H23 | C47 | H24 | 109.5° | 109.4° |
| H25 | C50 | H26 | 109.5° | 109.4° |
| H25 | C50 | H27 | 109.4° | 109.5° |
| H26 | C50 | H27 | 109.5° | 109.5° |
| H28 | C54 | H29 | 109.5° | 109.4° |
| H28 | C54 | H30 | 109.4° | 109.5° |
| H29 | C54 | H30 | 109.5° | 109.5° |
| H32 | C62 | H33 | 109.5° | 109.4° |
| H35 | C67 | H36 | 109.5° | 109.4° |
| H35 | C67 | H37 | 109.5° | 109.5° |
| H36 | C67 | H37 | 109.4° | 109.5° |
| H38 | C75 | H39 | 109.5° | 109.5° |
| H40 | C78 | H41 | 109.5° | 109.5° |
| H42 | C81 | H43 | 109.5° | 109.5° |
| H44 | C84 | H45 | 109.5° | 109.5° |
| H44 | C84 | H46 | 109.5° | 109.5° |
| H45 | C84 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C84 | C81 | C78 | H42 | 120.6° | 120.0° |
| C84 | C81 | C78 | H43 | 120.6° | 119.9° |
| C84 | C81 | C78 | C75 | 47.6° | 180.0° |
| C84 | C81 | C78 | H40 | 73.2° | 60.0° |
| C84 | C81 | C78 | H41 | 168.3° | 60.1° |
| C84 | C81 | H42 | H43 | 118.1° | 120.0° |
| C81 | C84 | H44 | H45 | 120.0° | 120.0° |
| C81 | C84 | H44 | H46 | 120.0° | 120.0° |
| C81 | C84 | H45 | H46 | 120.0° | 120.0° |
| C81 | C78 | C75 | H40 | 120.7° | 120.0° |
| C81 | C78 | C75 | H41 | 120.8° | 120.0° |
| C81 | C78 | C75 | N73 | 167.0° | 180.0° |
| C81 | C78 | C75 | H38 | 46.6° | 60.0° |
| C81 | C78 | C75 | H39 | 72.5° | 60.0° |
| C81 | C78 | H40 | H41 | 117.7° | 120.1° |
| C78 | C81 | H42 | H43 | 118.1° | 120.0° |
| C78 | C81 | C84 | H44 | 180.0° | 60.0° |
| C78 | C81 | C84 | H45 | 60.0° | 180.0° |
| C78 | C81 | C84 | H46 | 60.0° | 60.0° |
| C78 | C75 | N73 | H38 | 120.5° | 120.0° |
| C78 | C75 | N73 | H39 | 120.4° | 120.0° |
| C78 | C75 | N73 | C71 | 148.6° | 180.0° |
| C78 | C75 | H38 | H39 | 118.6° | 120.0° |
| C75 | C78 | H40 | H41 | 117.7° | 120.0° |
| C75 | C78 | C81 | H42 | 168.2° | 60.0° |
| C75 | C78 | C81 | H43 | 73.1° | 60.0° |
| C78 | C75 | N73 | H48 | 31.4° | 0.0° |
| C75 | N73 | C71 | H48 | 180.0° | 180.0° |
| C75 | N73 | C71 | O72 | 1.3° | 0.0° |
| C75 | N73 | C71 | C65 | 179.7° | 180.0° |
| N73 | C75 | H38 | H39 | 118.6° | 120.0° |
| N73 | C75 | C78 | H40 | 72.2° | 60.0° |
| N73 | C75 | C78 | H41 | 46.3° | 60.0° |
| N73 | C71 | O72 | C65 | 178.3° | 180.0° |
| N73 | C71 | C65 | C67 | 108.7° | 60.0° |
| N73 | C71 | C65 | C62 | 128.6° | 180.0° |
| N73 | C71 | C65 | H34 | 9.4° | 60.0° |
| C71 | N73 | C75 | H38 | 90.9° | 60.0° |
| C71 | N73 | C75 | H39 | 28.2° | 60.0° |
| O72 | C71 | C65 | C67 | 72.9° | 120.0° |
| O72 | C71 | C65 | C62 | 49.8° | 0.0° |
| O72 | C71 | C65 | H34 | 169.0° | 120.0° |
| O72 | C71 | N73 | H48 | 178.6° | 180.0° |
| C71 | C65 | C67 | C62 | 122.8° | 120.0° |
| C71 | C65 | C67 | H34 | 117.9° | 120.0° |
| C71 | C65 | C62 | H34 | 119.3° | 120.0° |
| C71 | C65 | C62 | C58 | 77.7° | 66.7° |
| C71 | C65 | C62 | H32 | 42.7° | 173.2° |
| C71 | C65 | C62 | H33 | 161.9° | 53.3° |
| C71 | C65 | C67 | H35 | 180.0° | 176.4° |
| C71 | C65 | C67 | H36 | 60.0° | 56.5° |
| C71 | C65 | C67 | H37 | 60.0° | 63.6° |
| C65 | C71 | N73 | H48 | 0.3° | 0.0° |
| C67 | C65 | C62 | H34 | 119.7° | 120.0° |
| C67 | C65 | C62 | C58 | 161.3° | 173.3° |
| C67 | C65 | C62 | H32 | 78.3° | 53.2° |
| C67 | C65 | C62 | H33 | 40.9° | 66.7° |
| C65 | C67 | H35 | H36 | 120.0° | 120.0° |
| C65 | C67 | H35 | H37 | 120.0° | 120.0° |
| C65 | C67 | H36 | H37 | 120.0° | 120.1° |
| C65 | C62 | C58 | H32 | 120.4° | 120.0° |
| C65 | C62 | C58 | H33 | 120.4° | 120.0° |
| C65 | C62 | C58 | C3 | 146.0° | 173.9° |
| C65 | C62 | C58 | O60 | 87.4° | 66.1° |
| C65 | C62 | C58 | H31 | 29.2° | 53.9° |
| C65 | C62 | H32 | H33 | 118.7° | 120.0° |
| C62 | C65 | C67 | H35 | 57.2° | 56.4° |
| C62 | C65 | C67 | H36 | 62.8° | 63.5° |
| C62 | C65 | C67 | H37 | 177.3° | 176.4° |
| C62 | C58 | C3 | O60 | 125.7° | 120.0° |
| C62 | C58 | C3 | H31 | 116.9° | 120.0° |
| C62 | C58 | O60 | H31 | 115.9° | 120.0° |
| C62 | C58 | C3 | C5 | 178.5° | 180.0° |
| C62 | C58 | C3 | N1 | 54.2° | 61.2° |
| C62 | C58 | C3 | H1 | 64.1° | 60.2° |
| C58 | C62 | H32 | H33 | 118.8° | 120.0° |
| C58 | C62 | C65 | H34 | 41.6° | 53.3° |
| C62 | C58 | O60 | H49 | 180.0° | 60.0° |
| O45 | C44 | N1 | C3 | 4.4° | 158.5° |
| O45 | C44 | N1 | C30 | 176.0° | 179.8° |
| O45 | C44 | C30 | C31 | 21.5° | 22.7° |
| O45 | C44 | C30 | C28 | 150.9° | 157.1° |
| O45 | C44 | N1 | H47 | 175.6° | 21.1° |
| C3 | C58 | O60 | H31 | 116.6° | 119.9° |
| C58 | C3 | C5 | N1 | 127.6° | 118.6° |
| C58 | C3 | C5 | H1 | 117.3° | 118.8° |
| C58 | C3 | N1 | H1 | 118.1° | 119.7° |
| C58 | C3 | N1 | C44 | 102.2° | 65.4° |
| C58 | C3 | C5 | C8 | 179.1° | 142.1° |
| C58 | C3 | C5 | H2 | 58.8° | 96.7° |
| C58 | C3 | C5 | H3 | 60.6° | 22.5° |
| C3 | C58 | C62 | H32 | 25.5° | 66.1° |
| C3 | C58 | C62 | H33 | 93.6° | 53.9° |
| C58 | C3 | N1 | H47 | 77.8° | 114.2° |
| C3 | C58 | O60 | H49 | 52.5° | 60.0° |
| O60 | C58 | C3 | C5 | 52.8° | 60.0° |
| O60 | C58 | C3 | N1 | 71.5° | 58.8° |
| O60 | C58 | C3 | H1 | 170.2° | 179.8° |
| O60 | C58 | C62 | H32 | 152.2° | 53.9° |
| O60 | C58 | C62 | H33 | 33.0° | 173.9° |
| C54 | C8 | C5 | C3 | 74.7° | 42.9° |
| C54 | C8 | C5 | C10 | 125.3° | 126.7° |
| C54 | C8 | C5 | H4 | 116.8° | 116.8° |
| C54 | C8 | C10 | H4 | 117.1° | 119.4° |
| C54 | C8 | C10 | C13 | 52.2° | 4.9° |
| C54 | C8 | C5 | H2 | 165.0° | 78.6° |
| C54 | C8 | C5 | H3 | 45.6° | 162.7° |
| C54 | C8 | C10 | H5 | 173.0° | 127.0° |
| C54 | C8 | C10 | H6 | 68.7° | 117.5° |
| C8 | C54 | H28 | H29 | 120.0° | 120.0° |
| C8 | C54 | H28 | H30 | 120.0° | 120.0° |
| C8 | C54 | H29 | H30 | 120.0° | 120.0° |
| C5 | C3 | N1 | H1 | 115.0° | 121.9° |
| C5 | C3 | N1 | C44 | 130.9° | 176.2° |
| C3 | C5 | C8 | H2 | 120.3° | 121.5° |
| C3 | C5 | C8 | H3 | 120.3° | 119.8° |
| C3 | C5 | C8 | C10 | 160.0° | 83.8° |
| C3 | C5 | H2 | H3 | 119.1° | 119.1° |
| C3 | C5 | C8 | H4 | 42.1° | 159.7° |
| C5 | C3 | C58 | H31 | 64.6° | 60.0° |
| C5 | C3 | N1 | H47 | 49.1° | 4.2° |
| C3 | N1 | C44 | H47 | 180.0° | 179.6° |
| C3 | N1 | C44 | C30 | 171.6° | 21.3° |
| N1 | C3 | C5 | C8 | 51.5° | 99.3° |
| N1 | C3 | C5 | H2 | 68.8° | 21.9° |
| N1 | C3 | C5 | H3 | 171.8° | 141.1° |
| N1 | C3 | C58 | H31 | 171.1° | 178.8° |
| N1 | C44 | C30 | C31 | 162.4° | 157.1° |
| N1 | C44 | C30 | C28 | 25.2° | 23.1° |
| C44 | N1 | C3 | H1 | 15.9° | 54.3° |
| C44 | C30 | C31 | C28 | 172.3° | 179.8° |
| C44 | C30 | C31 | C33 | 176.2° | 178.7° |
| C44 | C30 | C28 | C27 | 174.3° | 179.3° |
| C44 | C30 | C28 | H15 | 5.7° | 0.2° |
| C44 | C30 | C31 | H16 | 3.8° | 1.7° |
| C30 | C44 | N1 | H47 | 8.4° | 159.1° |
| C5 | C8 | C10 | H4 | 117.9° | 115.9° |
| C5 | C8 | C10 | C13 | 177.2° | 129.6° |
| C8 | C5 | C3 | H1 | 63.5° | 23.3° |
| C8 | C5 | H2 | H3 | 119.0° | 118.5° |
| C5 | C8 | C10 | H5 | 62.0° | 108.3° |
| C5 | C8 | C10 | H6 | 56.3° | 7.2° |
| C5 | C8 | C54 | H28 | 180.0° | 60.0° |
| C5 | C8 | C54 | H29 | 60.0° | 179.9° |
| C5 | C8 | C54 | H30 | 60.0° | 60.0° |
| C8 | C10 | C13 | H5 | 120.9° | 122.2° |
| C8 | C10 | C13 | H6 | 120.9° | 122.6° |
| C8 | C10 | C13 | C16 | 53.9° | 98.3° |
| C10 | C8 | C5 | H2 | 39.6° | 154.7° |
| C10 | C8 | C5 | H3 | 79.7° | 36.0° |
| C8 | C10 | H5 | H6 | 117.4° | 117.1° |
| C8 | C10 | C13 | H7 | 174.6° | 27.9° |
| C8 | C10 | C13 | H8 | 66.8° | 145.7° |
| C10 | C8 | C54 | H28 | 53.8° | 175.7° |
| C10 | C8 | C54 | H29 | 66.2° | 55.7° |
| C10 | C8 | C54 | H30 | 173.8° | 64.3° |
| C30 | C31 | C33 | H16 | 180.0° | 179.6° |
| C30 | C31 | C33 | O36 | 177.6° | 179.5° |
| C30 | C31 | C33 | C34 | 2.2° | 0.5° |
| C31 | C30 | C28 | C27 | 1.8° | 0.5° |
| C31 | C30 | C28 | H15 | 178.2° | 180.0° |
| C33 | C31 | C30 | C28 | 3.8° | 1.1° |
| C31 | C33 | O36 | C34 | 179.7° | 180.0° |
| C31 | C33 | O36 | C37 | 154.0° | 0.1° |
| C31 | C33 | C34 | C27 | 1.5° | 0.5° |
| C31 | C33 | C34 | H17 | 178.5° | 178.7° |
| C30 | C28 | C27 | H15 | 180.0° | 179.5° |
| C30 | C28 | C27 | C34 | 1.9° | 0.6° |
| C30 | C28 | C27 | C26 | 176.0° | 179.9° |
| C28 | C30 | C31 | H16 | 176.2° | 178.5° |
| C33 | O36 | C37 | C40 | 179.1° | 180.0° |
| O36 | C33 | C34 | C27 | 178.8° | 179.4° |
| O36 | C33 | C31 | H16 | 2.5° | 1.0° |
| O36 | C33 | C34 | H17 | 1.2° | 1.4° |
| C33 | O36 | C37 | H18 | 59.4° | 60.0° |
| C33 | O36 | C37 | H19 | 61.2° | 60.1° |
| O36 | C37 | C40 | H18 | 119.7° | 120.0° |
| O36 | C37 | C40 | H19 | 119.7° | 119.9° |
| C37 | O36 | C33 | C34 | 26.3° | 180.0° |
| O36 | C37 | H18 | H19 | 121.0° | 120.0° |
| O36 | C37 | C40 | H20 | 180.0° | 180.0° |
| O36 | C37 | C40 | H21 | 60.0° | 60.1° |
| O36 | C37 | C40 | H22 | 60.0° | 60.0° |
| C40 | C37 | H18 | H19 | 120.9° | 120.0° |
| C37 | C40 | H20 | H21 | 120.0° | 119.9° |
| C37 | C40 | H20 | H22 | 120.0° | 120.0° |
| C37 | C40 | H21 | H22 | 120.0° | 120.0° |
| C10 | C13 | C16 | H7 | 120.7° | 128.4° |
| C10 | C13 | C16 | H8 | 120.7° | 116.8° |
| C10 | C13 | C16 | C19 | 53.3° | 172.9° |
| C13 | C10 | C8 | H4 | 64.9° | 114.5° |
| C13 | C10 | H5 | H6 | 117.4° | 116.6° |
| C10 | C13 | H7 | H8 | 117.8° | 119.0° |
| C10 | C13 | C16 | H9 | 174.0° | 53.1° |
| C10 | C13 | C16 | H10 | 67.4° | 66.2° |
| C33 | C34 | C27 | C28 | 3.5° | 1.1° |
| C33 | C34 | C27 | H17 | 180.0° | 179.2° |
| C33 | C34 | C27 | C26 | 177.4° | 179.5° |
| C34 | C33 | C31 | H16 | 177.8° | 179.0° |
| C13 | C16 | C19 | H9 | 120.7° | 119.5° |
| C13 | C16 | C19 | H10 | 120.7° | 120.6° |
| C13 | C16 | C19 | C22 | 170.5° | 162.3° |
| C16 | C13 | C10 | H5 | 66.9° | 139.5° |
| C16 | C13 | C10 | H6 | 174.8° | 24.3° |
| C16 | C13 | H7 | H8 | 117.8° | 115.4° |
| C13 | C16 | H9 | H10 | 117.9° | 119.7° |
| C13 | C16 | C19 | H11 | 50.2° | 40.5° |
| C13 | C16 | C19 | H12 | 69.3° | 78.2° |
| C28 | C27 | C34 | C26 | 173.9° | 179.4° |
| C28 | C27 | C26 | N25 | 57.3° | 27.2° |
| C28 | C27 | C26 | O46 | 118.7° | 149.7° |
| C28 | C27 | C34 | H17 | 176.5° | 178.1° |
| C16 | C19 | C22 | H11 | 120.2° | 121.8° |
| C16 | C19 | C22 | H12 | 120.2° | 119.4° |
| C16 | C19 | C22 | N25 | 177.3° | 59.5° |
| C19 | C16 | C13 | H7 | 67.3° | 58.8° |
| C19 | C16 | C13 | H8 | 174.1° | 56.1° |
| C19 | C16 | H9 | H10 | 117.9° | 120.5° |
| C16 | C19 | H11 | H12 | 119.4° | 119.0° |
| C16 | C19 | C22 | H13 | 61.9° | 179.7° |
| C16 | C19 | C22 | H14 | 56.5° | 60.9° |
| C34 | C27 | C26 | N25 | 128.7° | 152.2° |
| C34 | C27 | C26 | O46 | 55.3° | 30.9° |
| C34 | C27 | C28 | H15 | 178.1° | 178.9° |
| C27 | C26 | N25 | C22 | 5.0° | 141.8° |
| C27 | C26 | N25 | O46 | 176.0° | 176.9° |
| C27 | C26 | N25 | C47 | 175.9° | 40.9° |
| C26 | C27 | C28 | H15 | 4.0° | 0.4° |
| C26 | C27 | C34 | H17 | 2.6° | 1.3° |
| C19 | C22 | N25 | H13 | 120.8° | 120.3° |
| C19 | C22 | N25 | H14 | 120.8° | 120.2° |
| C19 | C22 | N25 | C26 | 117.5° | 141.3° |
| C19 | C22 | N25 | C47 | 63.3° | 41.4° |
| C22 | C19 | C16 | H9 | 68.9° | 78.1° |
| C22 | C19 | C16 | H10 | 49.7° | 41.8° |
| C22 | C19 | H11 | H12 | 119.4° | 119.2° |
| C19 | C22 | H13 | H14 | 117.5° | 119.8° |
| C22 | N25 | C26 | C47 | 179.2° | 177.3° |
| C22 | N25 | C26 | O46 | 179.1° | 35.1° |
| C22 | N25 | C47 | C50 | 105.2° | 90.0° |
| N25 | C22 | C19 | H11 | 57.2° | 62.3° |
| N25 | C22 | C19 | H12 | 62.5° | 179.0° |
| N25 | C22 | H13 | H14 | 117.5° | 120.1° |
| C22 | N25 | C47 | H23 | 15.0° | 30.0° |
| C22 | N25 | C47 | H24 | 134.6° | 150.0° |
| C26 | N25 | C47 | C50 | 75.5° | 87.1° |
| C26 | N25 | C22 | H13 | 121.7° | 98.4° |
| C26 | N25 | C22 | H14 | 3.3° | 21.1° |
| C26 | N25 | C47 | H23 | 164.3° | 152.8° |
| C26 | N25 | C47 | H24 | 44.6° | 32.9° |
| O46 | C26 | N25 | C47 | 0.1° | 142.3° |
| N25 | C47 | C50 | H23 | 120.2° | 120.0° |
| N25 | C47 | C50 | H24 | 120.1° | 120.0° |
| C47 | N25 | C22 | H13 | 57.5° | 78.9° |
| C47 | N25 | C22 | H14 | 175.9° | 161.6° |
| N25 | C47 | H23 | H24 | 119.5° | 120.0° |
| N25 | C47 | C50 | H25 | 180.0° | 180.0° |
| N25 | C47 | C50 | H26 | 60.0° | 60.0° |
| N25 | C47 | C50 | H27 | 60.0° | 60.0° |
| C50 | C47 | H23 | H24 | 119.5° | 120.0° |
| C47 | C50 | H25 | H26 | 120.0° | 119.9° |
| C47 | C50 | H25 | H27 | 120.0° | 120.1° |
| C47 | C50 | H26 | H27 | 120.0° | 120.0° |
| H1 | C3 | C5 | H2 | 176.2° | 144.5° |
| H1 | C3 | C5 | H3 | 56.8° | 96.3° |
| H1 | C3 | C58 | H31 | 52.8° | 59.8° |
| H1 | C3 | N1 | H47 | 164.1° | 126.1° |
| H2 | C5 | C8 | H4 | 78.3° | 38.2° |
| H3 | C5 | C8 | H4 | 162.4° | 80.5° |
| H4 | C8 | C10 | H5 | 55.9° | 7.6° |
| H4 | C8 | C10 | H6 | 174.2° | 123.1° |
| H4 | C8 | C54 | H28 | 63.3° | 56.3° |
| H4 | C8 | C54 | H29 | 176.7° | 63.7° |
| H4 | C8 | C54 | H30 | 56.7° | 176.2° |
| H5 | C10 | C13 | H7 | 53.8° | 94.3° |
| H5 | C10 | C13 | H8 | 172.3° | 23.5° |
| H6 | C10 | C13 | H7 | 64.5° | 150.5° |
| H6 | C10 | C13 | H8 | 54.1° | 91.8° |
| H7 | C13 | C16 | H9 | 53.3° | 178.5° |
| H7 | C13 | C16 | H10 | 172.0° | 62.1° |
| H8 | C13 | C16 | H9 | 65.3° | 63.7° |
| H8 | C13 | C16 | H10 | 53.4° | 176.9° |
| H9 | C16 | C19 | H11 | 170.9° | 160.0° |
| H9 | C16 | C19 | H12 | 51.3° | 41.4° |
| H10 | C16 | C19 | H11 | 70.5° | 80.1° |
| H10 | C16 | C19 | H12 | 169.9° | 161.3° |
| H11 | C19 | C22 | H13 | 177.9° | 57.9° |
| H11 | C19 | C22 | H14 | 63.7° | 177.3° |
| H12 | C19 | C22 | H13 | 58.3° | 60.9° |
| H12 | C19 | C22 | H14 | 176.7° | 58.6° |
| H18 | C37 | C40 | H20 | 60.3° | 60.0° |
| H18 | C37 | C40 | H21 | 179.7° | 60.0° |
| H18 | C37 | C40 | H22 | 59.7° | 180.0° |
| H19 | C37 | C40 | H20 | 60.3° | 60.1° |
| H19 | C37 | C40 | H21 | 59.7° | 180.0° |
| H19 | C37 | C40 | H22 | 179.7° | 60.0° |
| H20 | C40 | H21 | H22 | 120.0° | 120.0° |
| H23 | C47 | C50 | H25 | 59.8° | 59.9° |
| H23 | C47 | C50 | H26 | 179.8° | 60.0° |
| H23 | C47 | C50 | H27 | 60.2° | 180.0° |
| H24 | C47 | C50 | H25 | 59.9° | 60.0° |
| H24 | C47 | C50 | H26 | 60.1° | 180.0° |
| H24 | C47 | C50 | H27 | 179.9° | 60.0° |
| H25 | C50 | H26 | H27 | 119.9° | 120.0° |
| H28 | C54 | H29 | H30 | 120.0° | 120.0° |
| H31 | C58 | C62 | H32 | 91.2° | 174.0° |
| H31 | C58 | C62 | H33 | 149.6° | 66.1° |
| H31 | C58 | O60 | H49 | 64.1° | 180.0° |
| H32 | C62 | C65 | H34 | 162.0° | 66.8° |
| H33 | C62 | C65 | H34 | 78.8° | 173.3° |
| H34 | C65 | C67 | H35 | 62.2° | 63.6° |
| H34 | C65 | C67 | H36 | 177.8° | 176.5° |
| H34 | C65 | C67 | H37 | 57.9° | 56.5° |
| H35 | C67 | H36 | H37 | 120.0° | 120.0° |
| H38 | C75 | C78 | H40 | 167.3° | 60.0° |
| H38 | C75 | C78 | H41 | 74.2° | 180.0° |
| H38 | C75 | N73 | H48 | 89.1° | 120.0° |
| H39 | C75 | C78 | H40 | 48.2° | 180.0° |
| H39 | C75 | C78 | H41 | 166.7° | 60.0° |
| H39 | C75 | N73 | H48 | 151.8° | 120.0° |
| H40 | C78 | C81 | H42 | 47.4° | 180.0° |
| H40 | C78 | C81 | H43 | 166.2° | 59.9° |
| H41 | C78 | C81 | H42 | 71.1° | 59.9° |
| H41 | C78 | C81 | H43 | 47.7° | 180.0° |
| H42 | C81 | C84 | H44 | 59.4° | 60.0° |
| H42 | C81 | C84 | H45 | 60.6° | 60.0° |
| H42 | C81 | C84 | H46 | 179.4° | 180.0° |
| H43 | C81 | C84 | H44 | 59.4° | 180.0° |
| H43 | C81 | C84 | H45 | 179.4° | 60.1° |
| H43 | C81 | C84 | H46 | 60.6° | 60.0° |
| H44 | C84 | H45 | H46 | 120.0° | 120.0° |
