L27
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.35Å | 1.32Å | |
| O01 | C44 | sing | 1.45Å | 1.50Å | |
| C02 | O03 | doub | 1.22Å | 1.20Å | |
| C02 | NP4 | sing | 1.35Å | 1.35Å | |
| NP4 | C05 | sing | 1.47Å | 1.44Å | |
| NP4 | H1 | sing | 0.97Å | 1.02Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | C36 | sing | 1.53Å | 1.53Å | |
| C05 | H2 | sing | 1.09Å | 1.12Å | |
| C06 | O07 | sing | 1.43Å | 1.32Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C06 | H3 | sing | 1.09Å | 1.12Å | |
| O07 | H4 | sing | 0.97Å | 0.95Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C08 | H5 | sing | 1.09Å | 1.12Å | |
| C08 | H6 | sing | 1.09Å | 1.12Å | |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C09 | C17 | sing | 1.52Å | 1.56Å | |
| C09 | N29 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H7 | sing | 1.09Å | 1.12Å | |
| C10 | H8 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | doub | 1.38Å | 1.46Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.47Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.45Å | Aromatic |
| C12 | H9 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.47Å | Aromatic |
| C13 | H10 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.47Å | Aromatic |
| C14 | H11 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H12 | sing | 1.08Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.10Å | |
| C17 | O18 | doub | 1.21Å | 1.19Å | |
| C17 | C35 | sing | 1.41Å | 1.45Å | |
| N29 | C30 | sing | 1.36Å | 1.35Å | |
| N29 | H14 | sing | 0.97Å | 1.02Å | |
| C30 | C35 | doub | 1.35Å | 1.35Å | |
| C30 | H15 | sing | 1.08Å | 1.10Å | |
| C35 | C50 | sing | 1.51Å | 1.54Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | H16 | sing | 1.09Å | 1.11Å | |
| C36 | H17 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | doub | 1.38Å | 1.47Å | Aromatic |
| C37 | C42 | sing | 1.38Å | 1.46Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.45Å | Aromatic |
| C38 | H18 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | doub | 1.38Å | 1.46Å | Aromatic |
| C39 | H19 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | sing | 1.38Å | 1.45Å | Aromatic |
| C40 | H20 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | doub | 1.38Å | 1.45Å | Aromatic |
| C41 | H21 | sing | 1.08Å | 1.10Å | |
| C42 | H22 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | sing | 1.54Å | 1.53Å | |
| C44 | C48 | sing | 1.55Å | 1.53Å | |
| C44 | H23 | sing | 1.09Å | 1.12Å | |
| C45 | O46 | sing | 1.45Å | 1.42Å | |
| C45 | H24 | sing | 1.09Å | 1.11Å | |
| C45 | H25 | sing | 1.09Å | 1.12Å | |
| O46 | C47 | sing | 1.44Å | 1.42Å | |
| C47 | C48 | sing | 1.54Å | 1.52Å | |
| C47 | H26 | sing | 1.09Å | 1.11Å | |
| C47 | H27 | sing | 1.09Å | 1.12Å | |
| C48 | H28 | sing | 1.09Å | 1.12Å | |
| C48 | H29 | sing | 1.09Å | 1.12Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | N54 | sing | 1.46Å | 1.43Å | |
| C49 | H30 | sing | 1.09Å | 1.12Å | |
| C49 | H31 | sing | 1.09Å | 1.12Å | |
| C50 | C51 | sing | 1.51Å | 1.48Å | |
| C50 | H32 | sing | 1.09Å | 1.12Å | |
| C51 | C52 | doub | 1.39Å | 1.45Å | Aromatic |
| C51 | C55 | sing | 1.38Å | 1.45Å | Aromatic |
| C52 | C53 | sing | 1.48Å | 1.49Å | |
| C52 | C58 | sing | 1.39Å | 1.44Å | Aromatic |
| C53 | N54 | sing | 1.35Å | 1.28Å | |
| C53 | O59 | doub | 1.22Å | 1.22Å | |
| N54 | H33 | sing | 0.97Å | 1.02Å | |
| C55 | C56 | doub | 1.38Å | 1.43Å | Aromatic |
| C55 | H34 | sing | 1.08Å | 1.10Å | |
| C56 | C57 | sing | 1.38Å | 1.45Å | Aromatic |
| C56 | H35 | sing | 1.08Å | 1.10Å | |
| C57 | C58 | doub | 1.38Å | 1.44Å | Aromatic |
| C57 | H36 | sing | 1.08Å | 1.10Å | |
| C58 | H37 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | O01 | C44 | 126.0° | 120.0° |
| O01 | C02 | O03 | 124.2° | 120.0° |
| O01 | C02 | NP4 | 112.3° | 120.0° |
| O01 | C44 | C45 | 112.5° | 110.6° |
| O01 | C44 | C48 | 113.4° | 110.5° |
| O01 | C44 | H23 | 101.0° | 110.5° |
| O03 | C02 | NP4 | 123.5° | 120.0° |
| C02 | NP4 | C05 | 121.6° | 120.0° |
| C02 | NP4 | H1 | 116.0° | 120.0° |
| C05 | NP4 | H1 | 122.4° | 120.0° |
| NP4 | C05 | C06 | 104.9° | 109.5° |
| NP4 | C05 | C36 | 106.0° | 109.4° |
| NP4 | C05 | H2 | 116.6° | 109.5° |
| C06 | C05 | C36 | 115.0° | 109.5° |
| C06 | C05 | H2 | 107.9° | 109.5° |
| C05 | C06 | O07 | 112.1° | 109.4° |
| C05 | C06 | C08 | 112.8° | 109.5° |
| C05 | C06 | H3 | 104.9° | 109.5° |
| C36 | C05 | H2 | 106.8° | 109.5° |
| C05 | C36 | C37 | 113.5° | 109.4° |
| C05 | C36 | H16 | 110.7° | 109.5° |
| C05 | C36 | H17 | 110.7° | 109.5° |
| O07 | C06 | C08 | 108.4° | 109.5° |
| O07 | C06 | H3 | 109.6° | 109.5° |
| C06 | O07 | H4 | 112.2° | 106.8° |
| C08 | C06 | H3 | 108.9° | 109.5° |
| C06 | C08 | C09 | 114.3° | 109.4° |
| C06 | C08 | H5 | 110.4° | 109.5° |
| C06 | C08 | H6 | 110.4° | 109.5° |
| C09 | C08 | H5 | 110.5° | 109.5° |
| C09 | C08 | H6 | 110.4° | 109.4° |
| C08 | C09 | C10 | 110.6° | 110.4° |
| C08 | C09 | C17 | 111.5° | 110.5° |
| C08 | C09 | N29 | 107.5° | 110.5° |
| H5 | C08 | H6 | 99.8° | 109.5° |
| C10 | C09 | C17 | 113.6° | 110.5° |
| C10 | C09 | N29 | 110.2° | 110.5° |
| C09 | C10 | C11 | 115.3° | 109.5° |
| C09 | C10 | H7 | 110.1° | 109.5° |
| C09 | C10 | H8 | 110.1° | 109.4° |
| C17 | C09 | N29 | 103.1° | 104.3° |
| C09 | C17 | O18 | 128.2° | 127.5° |
| C09 | C17 | C35 | 106.0° | 105.2° |
| C09 | N29 | C30 | 107.5° | 107.6° |
| C09 | N29 | H14 | 113.0° | 126.2° |
| C11 | C10 | H7 | 110.1° | 109.5° |
| C11 | C10 | H8 | 110.1° | 109.5° |
| C10 | C11 | C12 | 118.1° | 120.0° |
| C10 | C11 | C16 | 119.2° | 120.0° |
| H7 | C10 | H8 | 100.2° | 109.5° |
| C12 | C11 | C16 | 122.5° | 120.0° |
| C11 | C12 | C13 | 119.0° | 120.0° |
| C11 | C12 | H9 | 120.9° | 120.0° |
| C11 | C16 | C15 | 118.2° | 120.0° |
| C11 | C16 | H13 | 121.5° | 120.0° |
| C13 | C12 | H9 | 120.1° | 120.0° |
| C12 | C13 | C14 | 118.2° | 120.0° |
| C12 | C13 | H10 | 120.3° | 120.0° |
| C14 | C13 | H10 | 121.6° | 120.0° |
| C13 | C14 | C15 | 122.8° | 120.0° |
| C13 | C14 | H11 | 118.7° | 120.0° |
| C15 | C14 | H11 | 118.6° | 120.0° |
| C14 | C15 | C16 | 118.5° | 120.0° |
| C14 | C15 | H12 | 121.1° | 120.0° |
| C16 | C15 | H12 | 120.4° | 119.9° |
| C15 | C16 | H13 | 120.3° | 120.0° |
| O18 | C17 | C35 | 125.6° | 127.3° |
| C17 | C35 | C30 | 107.2° | 110.5° |
| C17 | C35 | C50 | 121.7° | 124.8° |
| C30 | N29 | H14 | 112.9° | 126.2° |
| N29 | C30 | C35 | 116.1° | 112.4° |
| N29 | C30 | H15 | 122.0° | 123.8° |
| C35 | C30 | H15 | 121.9° | 123.8° |
| C30 | C35 | C50 | 130.9° | 124.7° |
| C35 | C50 | C49 | 113.8° | 109.3° |
| C35 | C50 | C51 | 113.0° | 109.3° |
| C35 | C50 | H32 | 103.2° | 109.4° |
| C37 | C36 | H16 | 110.8° | 109.5° |
| C37 | C36 | H17 | 110.7° | 109.5° |
| C36 | C37 | C38 | 120.6° | 120.0° |
| C36 | C37 | C42 | 117.5° | 120.0° |
| H16 | C36 | H17 | 99.5° | 109.5° |
| C38 | C37 | C42 | 122.0° | 120.1° |
| C37 | C38 | C39 | 118.8° | 120.0° |
| C37 | C38 | H18 | 121.2° | 120.0° |
| C37 | C42 | C41 | 119.6° | 119.9° |
| C37 | C42 | H22 | 120.6° | 120.0° |
| C39 | C38 | H18 | 120.0° | 120.0° |
| C38 | C39 | C40 | 118.2° | 120.0° |
| C38 | C39 | H19 | 120.6° | 120.0° |
| C40 | C39 | H19 | 121.2° | 120.0° |
| C39 | C40 | C41 | 123.7° | 120.0° |
| C39 | C40 | H20 | 118.3° | 120.0° |
| C41 | C40 | H20 | 118.1° | 120.0° |
| C40 | C41 | C42 | 117.8° | 120.0° |
| C40 | C41 | H21 | 121.4° | 120.1° |
| C42 | C41 | H21 | 120.8° | 119.9° |
| C41 | C42 | H22 | 119.8° | 120.0° |
| C45 | C44 | C48 | 93.3° | 104.2° |
| C45 | C44 | H23 | 119.1° | 110.5° |
| C44 | C45 | O46 | 106.6° | 104.7° |
| C44 | C45 | H24 | 113.3° | 110.2° |
| C44 | C45 | H25 | 113.3° | 110.6° |
| C48 | C44 | H23 | 118.3° | 110.5° |
| C44 | C48 | C47 | 100.2° | 104.1° |
| C44 | C48 | H28 | 115.7° | 110.5° |
| C44 | C48 | H29 | 115.8° | 110.5° |
| O46 | C45 | H24 | 113.3° | 110.4° |
| O46 | C45 | H25 | 113.3° | 110.4° |
| C45 | O46 | C47 | 106.8° | 105.4° |
| H24 | C45 | H25 | 97.2° | 110.4° |
| O46 | C47 | C48 | 104.3° | 104.8° |
| O46 | C47 | H26 | 114.2° | 110.3° |
| O46 | C47 | H27 | 114.2° | 110.3° |
| C48 | C47 | H26 | 114.2° | 110.4° |
| C48 | C47 | H27 | 114.2° | 110.4° |
| C47 | C48 | H28 | 115.8° | 110.5° |
| C47 | C48 | H29 | 115.7° | 110.5° |
| H26 | C47 | H27 | 96.3° | 110.4° |
| H28 | C48 | H29 | 94.7° | 110.6° |
| C50 | C49 | N54 | 110.2° | 111.0° |
| C50 | C49 | H30 | 111.9° | 109.2° |
| C50 | C49 | H31 | 111.9° | 109.1° |
| C49 | C50 | C51 | 107.5° | 110.0° |
| C49 | C50 | H32 | 109.1° | 109.4° |
| N54 | C49 | H30 | 112.0° | 109.2° |
| N54 | C49 | H31 | 112.0° | 109.2° |
| C49 | N54 | C53 | 124.3° | 121.0° |
| C49 | N54 | H33 | 123.8° | 119.5° |
| H30 | C49 | H31 | 98.4° | 109.1° |
| C51 | C50 | H32 | 110.0° | 109.4° |
| C50 | C51 | C52 | 117.1° | 119.7° |
| C50 | C51 | C55 | 120.4° | 120.5° |
| C52 | C51 | C55 | 122.6° | 119.8° |
| C51 | C52 | C53 | 117.0° | 118.8° |
| C51 | C52 | C58 | 121.0° | 120.1° |
| C51 | C55 | C56 | 115.5° | 119.9° |
| C51 | C55 | H34 | 122.9° | 120.1° |
| C53 | C52 | C58 | 121.2° | 121.1° |
| C52 | C53 | N54 | 119.0° | 119.3° |
| C52 | C53 | O59 | 120.0° | 120.4° |
| C52 | C58 | C57 | 117.0° | 119.6° |
| C52 | C58 | H37 | 121.4° | 120.2° |
| N54 | C53 | O59 | 121.0° | 120.3° |
| C53 | N54 | H33 | 111.8° | 119.5° |
| C56 | C55 | H34 | 121.6° | 120.0° |
| C55 | C56 | C57 | 122.7° | 120.4° |
| C55 | C56 | H35 | 118.0° | 119.8° |
| C57 | C56 | H35 | 119.3° | 119.9° |
| C56 | C57 | C58 | 121.2° | 120.2° |
| C56 | C57 | H36 | 119.7° | 119.9° |
| C58 | C57 | H36 | 119.1° | 120.0° |
| C57 | C58 | H37 | 121.5° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | NP4 | 177.7° | 179.9° |
| O01 | C02 | NP4 | C05 | 159.0° | 180.0° |
| O01 | C02 | NP4 | H1 | 21.0° | 0.0° |
| C02 | O01 | C44 | C45 | 167.8° | 93.3° |
| C02 | O01 | C44 | C48 | 87.8° | 151.9° |
| C02 | O01 | C44 | H23 | 39.8° | 29.3° |
| C44 | O01 | C02 | O03 | 4.6° | 0.0° |
| C44 | O01 | C02 | NP4 | 173.3° | 179.9° |
| O01 | C44 | C45 | C48 | 117.1° | 118.7° |
| O01 | C44 | C45 | H23 | 117.8° | 122.6° |
| O01 | C44 | C48 | H23 | 117.9° | 122.5° |
| O01 | C44 | C45 | O46 | 71.3° | 142.5° |
| O01 | C44 | C45 | H24 | 163.4° | 23.8° |
| O01 | C44 | C45 | H25 | 54.0° | 98.6° |
| O01 | C44 | C48 | C47 | 66.2° | 118.7° |
| O01 | C44 | C48 | H28 | 59.0° | 122.7° |
| O01 | C44 | C48 | H29 | 168.6° | 0.0° |
| O03 | C02 | NP4 | C05 | 19.0° | 0.1° |
| O03 | C02 | NP4 | H1 | 161.0° | 180.0° |
| C02 | NP4 | C05 | H1 | 180.0° | 179.9° |
| C02 | NP4 | C05 | C06 | 119.6° | 155.0° |
| C02 | NP4 | C05 | C36 | 118.3° | 85.1° |
| C02 | NP4 | C05 | H2 | 0.3° | 34.9° |
| NP4 | C05 | C06 | C36 | 116.0° | 120.0° |
| NP4 | C05 | C06 | H2 | 124.9° | 120.0° |
| NP4 | C05 | C36 | H2 | 125.0° | 120.0° |
| NP4 | C05 | C06 | O07 | 59.8° | 60.0° |
| NP4 | C05 | C06 | C08 | 63.0° | 60.0° |
| NP4 | C05 | C06 | H3 | 178.7° | 179.9° |
| NP4 | C05 | C36 | C37 | 62.5° | 65.0° |
| NP4 | C05 | C36 | H16 | 172.2° | 55.0° |
| NP4 | C05 | C36 | H17 | 62.7° | 175.0° |
| H1 | NP4 | C05 | C06 | 60.4° | 25.0° |
| H1 | NP4 | C05 | C36 | 61.7° | 95.0° |
| H1 | NP4 | C05 | H2 | 179.7° | 145.0° |
| C06 | C05 | C36 | H2 | 119.6° | 120.0° |
| C05 | C06 | O07 | C08 | 125.2° | 120.0° |
| C05 | C06 | O07 | H3 | 116.1° | 120.0° |
| C05 | C06 | C08 | H3 | 116.0° | 120.0° |
| C05 | C06 | O07 | H4 | 180.0° | 60.1° |
| C05 | C06 | C08 | C09 | 117.1° | 175.0° |
| C05 | C06 | C08 | H5 | 8.2° | 65.0° |
| C05 | C06 | C08 | H6 | 117.7° | 55.0° |
| C06 | C05 | C36 | C37 | 177.9° | 175.0° |
| C06 | C05 | C36 | H16 | 56.8° | 65.0° |
| C06 | C05 | C36 | H17 | 52.7° | 55.0° |
| C36 | C05 | C06 | O07 | 56.2° | 60.0° |
| C36 | C05 | C06 | C08 | 179.0° | 180.0° |
| C36 | C05 | C06 | H3 | 62.7° | 60.0° |
| C05 | C36 | C37 | H16 | 125.3° | 120.0° |
| C05 | C36 | C37 | H17 | 125.3° | 120.0° |
| C05 | C36 | H16 | H17 | 116.6° | 120.0° |
| C05 | C36 | C37 | C38 | 64.6° | 90.0° |
| C05 | C36 | C37 | C42 | 114.3° | 90.3° |
| H2 | C05 | C06 | O07 | 175.3° | 180.0° |
| H2 | C05 | C06 | C08 | 62.0° | 60.0° |
| H2 | C05 | C06 | H3 | 56.4° | 60.0° |
| H2 | C05 | C36 | C37 | 62.4° | 55.0° |
| H2 | C05 | C36 | H16 | 62.9° | 175.0° |
| H2 | C05 | C36 | H17 | 172.3° | 65.0° |
| O07 | C06 | C08 | H3 | 119.2° | 120.0° |
| O07 | C06 | C08 | C09 | 118.1° | 65.1° |
| O07 | C06 | C08 | H5 | 116.6° | 54.9° |
| O07 | C06 | C08 | H6 | 7.1° | 175.0° |
| C08 | C06 | O07 | H4 | 54.8° | 59.9° |
| C06 | C08 | C09 | H5 | 125.3° | 120.0° |
| C06 | C08 | C09 | H6 | 125.3° | 120.0° |
| C06 | C08 | H5 | H6 | 116.3° | 120.0° |
| C06 | C08 | C09 | C10 | 171.2° | 180.0° |
| C06 | C08 | C09 | C17 | 61.4° | 57.4° |
| C06 | C08 | C09 | N29 | 50.9° | 57.5° |
| H3 | C06 | O07 | H4 | 63.9° | 180.0° |
| H3 | C06 | C08 | C09 | 1.1° | 55.0° |
| H3 | C06 | C08 | H5 | 124.2° | 175.0° |
| H3 | C06 | C08 | H6 | 126.3° | 65.0° |
| C09 | C08 | H5 | H6 | 116.3° | 120.0° |
| C08 | C09 | C10 | C17 | 126.2° | 122.6° |
| C08 | C09 | C10 | N29 | 118.7° | 122.5° |
| C08 | C09 | C17 | N29 | 115.0° | 118.7° |
| C08 | C09 | C10 | C11 | 174.3° | 175.0° |
| C08 | C09 | C10 | H7 | 60.4° | 55.0° |
| C08 | C09 | C10 | H8 | 49.1° | 65.0° |
| C08 | C09 | C17 | O18 | 61.8° | 61.4° |
| C08 | C09 | C17 | C35 | 114.7° | 118.6° |
| C08 | C09 | N29 | C30 | 118.3° | 118.7° |
| C08 | C09 | N29 | H14 | 116.4° | 61.3° |
| H5 | C08 | C09 | C10 | 63.5° | 60.0° |
| H5 | C08 | C09 | C17 | 63.9° | 177.4° |
| H5 | C08 | C09 | N29 | 176.2° | 62.5° |
| H6 | C08 | C09 | C10 | 46.0° | 60.0° |
| H6 | C08 | C09 | C17 | 173.4° | 62.6° |
| H6 | C08 | C09 | N29 | 74.3° | 177.4° |
| C10 | C09 | C17 | N29 | 119.2° | 118.7° |
| C09 | C10 | C11 | H7 | 125.2° | 120.0° |
| C09 | C10 | C11 | H8 | 125.2° | 120.0° |
| C09 | C10 | H7 | H8 | 115.9° | 120.0° |
| C09 | C10 | C11 | C12 | 94.3° | 90.0° |
| C09 | C10 | C11 | C16 | 79.8° | 90.3° |
| C10 | C09 | C17 | O18 | 64.0° | 61.2° |
| C10 | C09 | C17 | C35 | 119.5° | 118.8° |
| C10 | C09 | N29 | C30 | 121.1° | 118.8° |
| C10 | C09 | N29 | H14 | 4.2° | 61.2° |
| C17 | C09 | C10 | C11 | 59.4° | 62.4° |
| C17 | C09 | C10 | H7 | 65.8° | 177.5° |
| C17 | C09 | C10 | H8 | 175.3° | 57.5° |
| C09 | C17 | O18 | C35 | 175.9° | 180.0° |
| C17 | C09 | N29 | C30 | 0.5° | 0.1° |
| C17 | C09 | N29 | H14 | 125.7° | 180.0° |
| C09 | C17 | C35 | C30 | 1.0° | 0.1° |
| C09 | C17 | C35 | C50 | 174.6° | 180.0° |
| N29 | C09 | C10 | C11 | 55.7° | 52.5° |
| N29 | C09 | C10 | H7 | 179.1° | 67.6° |
| N29 | C09 | C10 | H8 | 69.6° | 172.4° |
| N29 | C09 | C17 | O18 | 176.8° | 179.9° |
| N29 | C09 | C17 | C35 | 0.3° | 0.1° |
| C09 | N29 | C30 | H14 | 125.3° | 180.0° |
| C09 | N29 | C30 | C35 | 1.2° | 0.0° |
| C09 | N29 | C30 | H15 | 178.8° | 180.0° |
| C11 | C10 | H7 | H8 | 115.9° | 120.0° |
| C10 | C11 | C12 | C16 | 174.0° | 179.8° |
| C10 | C11 | C12 | C13 | 164.5° | 180.0° |
| C10 | C11 | C12 | H9 | 15.5° | 0.0° |
| C10 | C11 | C16 | C15 | 165.4° | 179.8° |
| C10 | C11 | C16 | H13 | 14.6° | 0.2° |
| H7 | C10 | C11 | C12 | 140.4° | 30.0° |
| H7 | C10 | C11 | C16 | 45.4° | 149.7° |
| H8 | C10 | C11 | C12 | 30.9° | 150.0° |
| H8 | C10 | C11 | C16 | 154.9° | 29.7° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.9° | 0.0° |
| C11 | C12 | C13 | H10 | 178.0° | 180.0° |
| C12 | C11 | C16 | C15 | 8.5° | 0.5° |
| C12 | C11 | C16 | H13 | 171.5° | 180.0° |
| C16 | C11 | C12 | C13 | 9.5° | 0.3° |
| C16 | C11 | C12 | H9 | 170.5° | 179.7° |
| C11 | C16 | C15 | C14 | 0.0° | 0.4° |
| C11 | C16 | C15 | H13 | 180.0° | 179.5° |
| C11 | C16 | C15 | H12 | 180.0° | 179.7° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 6.5° | 0.0° |
| C12 | C13 | C14 | H11 | 173.4° | 180.0° |
| H9 | C12 | C13 | C14 | 178.1° | 180.0° |
| H9 | C12 | C13 | H10 | 1.9° | 0.0° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 7.5° | 0.2° |
| C13 | C14 | C15 | H12 | 172.5° | 179.9° |
| H10 | C13 | C14 | C15 | 173.5° | 180.0° |
| H10 | C13 | C14 | H11 | 6.5° | 0.1° |
| C14 | C15 | C16 | H12 | 180.0° | 179.9° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| H11 | C14 | C15 | C16 | 172.5° | 179.8° |
| H11 | C14 | C15 | H12 | 7.5° | 0.0° |
| H12 | C15 | C16 | H13 | 0.0° | 0.2° |
| O18 | C17 | C35 | C30 | 177.6° | 179.9° |
| O18 | C17 | C35 | C50 | 2.0° | 0.0° |
| C17 | C35 | C30 | N29 | 1.5° | 0.0° |
| C17 | C35 | C30 | C50 | 175.1° | 179.9° |
| C17 | C35 | C30 | H15 | 178.6° | 179.9° |
| C17 | C35 | C50 | C49 | 57.4° | 60.3° |
| C17 | C35 | C50 | C51 | 179.6° | 60.1° |
| C17 | C35 | C50 | H32 | 60.8° | 180.0° |
| N29 | C30 | C35 | H15 | 180.0° | 180.0° |
| N29 | C30 | C35 | C50 | 173.6° | 179.9° |
| H14 | N29 | C30 | C35 | 126.5° | 180.0° |
| H14 | N29 | C30 | H15 | 53.5° | 0.1° |
| C30 | C35 | C50 | C49 | 128.1° | 119.8° |
| C30 | C35 | C50 | C51 | 5.1° | 119.7° |
| C30 | C35 | C50 | H32 | 113.7° | 0.1° |
| H15 | C30 | C35 | C50 | 6.4° | 0.0° |
| C35 | C50 | C49 | C51 | 126.0° | 120.1° |
| C35 | C50 | C49 | H32 | 114.7° | 119.7° |
| C35 | C50 | C49 | N54 | 70.5° | 69.5° |
| C35 | C50 | C49 | H30 | 164.2° | 51.0° |
| C35 | C50 | C49 | H31 | 54.8° | 170.2° |
| C35 | C50 | C51 | H32 | 114.8° | 119.8° |
| C35 | C50 | C51 | C52 | 82.5° | 87.0° |
| C35 | C50 | C51 | C55 | 97.8° | 92.5° |
| C37 | C36 | H16 | H17 | 116.6° | 120.0° |
| C36 | C37 | C38 | C42 | 178.8° | 179.7° |
| C36 | C37 | C38 | C39 | 176.0° | 180.0° |
| C36 | C37 | C38 | H18 | 3.9° | 0.1° |
| C36 | C37 | C42 | C41 | 175.9° | 179.8° |
| C36 | C37 | C42 | H22 | 4.1° | 0.3° |
| H16 | C36 | C37 | C38 | 60.7° | 30.0° |
| H16 | C36 | C37 | C42 | 120.4° | 149.7° |
| H17 | C36 | C37 | C38 | 170.2° | 150.0° |
| H17 | C36 | C37 | C42 | 11.0° | 29.7° |
| C37 | C38 | C39 | H18 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.8° | 0.0° |
| C37 | C38 | C39 | H19 | 179.2° | 179.9° |
| C38 | C37 | C42 | C41 | 3.0° | 0.5° |
| C38 | C37 | C42 | H22 | 177.0° | 179.9° |
| C42 | C37 | C38 | C39 | 2.8° | 0.3° |
| C42 | C37 | C38 | H18 | 177.2° | 179.7° |
| C37 | C42 | C41 | C40 | 1.1° | 0.4° |
| C37 | C42 | C41 | H22 | 180.0° | 179.6° |
| C37 | C42 | C41 | H21 | 178.8° | 179.7° |
| C38 | C39 | C40 | H19 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 1.0° | 0.1° |
| C38 | C39 | C40 | H20 | 179.0° | 180.0° |
| H18 | C38 | C39 | C40 | 179.2° | 180.0° |
| H18 | C38 | C39 | H19 | 0.8° | 0.1° |
| C39 | C40 | C41 | H20 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.9° | 0.1° |
| C39 | C40 | C41 | H21 | 179.2° | 180.0° |
| H19 | C39 | C40 | C41 | 179.0° | 180.0° |
| H19 | C39 | C40 | H20 | 1.0° | 0.1° |
| C40 | C41 | C42 | H21 | 180.0° | 179.9° |
| C40 | C41 | C42 | H22 | 178.9° | 180.0° |
| H20 | C40 | C41 | C42 | 179.2° | 179.8° |
| H20 | C40 | C41 | H21 | 0.8° | 0.1° |
| H21 | C41 | C42 | H22 | 1.2° | 0.1° |
| C45 | C44 | C48 | H23 | 125.7° | 118.7° |
| C44 | C45 | O46 | H24 | 125.2° | 118.6° |
| C44 | C45 | O46 | H25 | 125.3° | 119.0° |
| C44 | C45 | H24 | H25 | 119.2° | 122.5° |
| C44 | C45 | O46 | C47 | 22.8° | 40.3° |
| C45 | C44 | C48 | C47 | 50.1° | 0.1° |
| C45 | C44 | C48 | H28 | 175.4° | 118.6° |
| C45 | C44 | C48 | H29 | 75.1° | 118.7° |
| C48 | C44 | C45 | O46 | 45.8° | 23.8° |
| C48 | C44 | C45 | H24 | 79.5° | 94.9° |
| C48 | C44 | C45 | H25 | 171.1° | 142.7° |
| C44 | C48 | C47 | O46 | 40.8° | 24.0° |
| C44 | C48 | C47 | H28 | 125.2° | 118.6° |
| C44 | C48 | C47 | H29 | 125.3° | 118.6° |
| C44 | C48 | C47 | H26 | 166.0° | 142.8° |
| C44 | C48 | C47 | H27 | 84.5° | 94.8° |
| C44 | C48 | H28 | H29 | 121.6° | 122.7° |
| H23 | C44 | C45 | O46 | 170.9° | 94.9° |
| H23 | C44 | C45 | H24 | 45.6° | 146.4° |
| H23 | C44 | C45 | H25 | 63.8° | 24.0° |
| H23 | C44 | C48 | C47 | 175.9° | 118.8° |
| H23 | C44 | C48 | H28 | 58.9° | 0.1° |
| H23 | C44 | C48 | H29 | 50.6° | 122.6° |
| O46 | C45 | H24 | H25 | 119.3° | 122.3° |
| C45 | O46 | C47 | C48 | 11.3° | 40.4° |
| C45 | O46 | C47 | H26 | 136.6° | 159.3° |
| C45 | O46 | C47 | H27 | 114.0° | 78.4° |
| H24 | C45 | O46 | C47 | 102.4° | 78.3° |
| H25 | C45 | O46 | C47 | 148.1° | 159.3° |
| O46 | C47 | C48 | H26 | 125.3° | 118.8° |
| O46 | C47 | C48 | H27 | 125.3° | 118.8° |
| O46 | C47 | H26 | H27 | 120.1° | 122.2° |
| O46 | C47 | C48 | H28 | 166.0° | 94.7° |
| O46 | C47 | C48 | H29 | 84.5° | 142.6° |
| C48 | C47 | H26 | H27 | 120.1° | 122.4° |
| C47 | C48 | H28 | H29 | 121.6° | 122.7° |
| H26 | C47 | C48 | H28 | 68.7° | 24.1° |
| H26 | C47 | C48 | H29 | 40.8° | 98.6° |
| H27 | C47 | C48 | H28 | 40.8° | 146.6° |
| H27 | C47 | C48 | H29 | 150.3° | 23.8° |
| C50 | C49 | N54 | H30 | 125.3° | 120.5° |
| C50 | C49 | N54 | H31 | 125.3° | 120.3° |
| C50 | C49 | H30 | H31 | 117.8° | 119.2° |
| C49 | C50 | C51 | H32 | 118.8° | 120.2° |
| C49 | C50 | C51 | C52 | 44.0° | 33.0° |
| C49 | C50 | C51 | C55 | 135.7° | 147.4° |
| C50 | C49 | N54 | C53 | 35.5° | 40.1° |
| C50 | C49 | N54 | H33 | 144.4° | 139.8° |
| N54 | C49 | H30 | H31 | 117.9° | 119.3° |
| N54 | C49 | C50 | C51 | 55.5° | 50.6° |
| N54 | C49 | C50 | H32 | 174.8° | 170.8° |
| C49 | N54 | C53 | C52 | 1.1° | 7.3° |
| C49 | N54 | C53 | H33 | 180.0° | 179.9° |
| C49 | N54 | C53 | O59 | 179.4° | 172.6° |
| H30 | C49 | C50 | C51 | 69.8° | 171.0° |
| H30 | C49 | C50 | H32 | 49.5° | 68.8° |
| H30 | C49 | N54 | C53 | 89.7° | 160.6° |
| H30 | C49 | N54 | H33 | 90.3° | 19.3° |
| H31 | C49 | C50 | C51 | 179.2° | 69.8° |
| H31 | C49 | C50 | H32 | 59.9° | 50.4° |
| H31 | C49 | N54 | C53 | 160.8° | 80.2° |
| H31 | C49 | N54 | H33 | 19.2° | 99.9° |
| C50 | C51 | C52 | C55 | 179.7° | 179.6° |
| C50 | C51 | C52 | C53 | 10.1° | 1.1° |
| C50 | C51 | C52 | C58 | 179.9° | 177.8° |
| C50 | C51 | C55 | C56 | 179.6° | 178.8° |
| C50 | C51 | C55 | H34 | 0.4° | 1.3° |
| H32 | C50 | C51 | C52 | 162.8° | 153.2° |
| H32 | C50 | C51 | C55 | 16.9° | 27.3° |
| C51 | C52 | C53 | C58 | 169.7° | 178.9° |
| C51 | C52 | C53 | N54 | 15.3° | 13.8° |
| C51 | C52 | C53 | O59 | 165.1° | 166.3° |
| C52 | C51 | C55 | C56 | 0.0° | 0.8° |
| C52 | C51 | C55 | H34 | 180.0° | 179.2° |
| C51 | C52 | C58 | C57 | 1.3° | 1.6° |
| C51 | C52 | C58 | H37 | 178.7° | 178.3° |
| C55 | C51 | C52 | C53 | 169.5° | 179.4° |
| C55 | C51 | C52 | C58 | 0.2° | 1.8° |
| C51 | C55 | C56 | H34 | 180.0° | 179.9° |
| C51 | C55 | C56 | C57 | 0.9° | 0.4° |
| C51 | C55 | C56 | H35 | 179.1° | 179.6° |
| C52 | C53 | N54 | O59 | 179.6° | 179.9° |
| C52 | C53 | N54 | H33 | 178.9° | 172.6° |
| C53 | C52 | C58 | C57 | 168.0° | 179.5° |
| C53 | C52 | C58 | H37 | 12.0° | 0.5° |
| C58 | C52 | C53 | N54 | 154.4° | 167.3° |
| C58 | C52 | C53 | O59 | 25.2° | 12.6° |
| C52 | C58 | C57 | C56 | 2.3° | 0.5° |
| C52 | C58 | C57 | H37 | 180.0° | 180.0° |
| C52 | C58 | C57 | H36 | 177.8° | 179.6° |
| O59 | C53 | N54 | H33 | 0.6° | 7.4° |
| C55 | C56 | C57 | H35 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 2.1° | 0.5° |
| C55 | C56 | C57 | H36 | 177.9° | 179.4° |
| H34 | C55 | C56 | C57 | 179.1° | 179.7° |
| H34 | C55 | C56 | H35 | 0.9° | 0.3° |
| C56 | C57 | C58 | H36 | 180.0° | 179.9° |
| C56 | C57 | C58 | H37 | 177.8° | 179.5° |
| H35 | C56 | C57 | C58 | 177.9° | 179.5° |
| H35 | C56 | C57 | H36 | 2.1° | 0.6° |
| H36 | C57 | C58 | H37 | 2.2° | 0.5° |
