LGZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.35Å | 1.29Å | |
| O01 | C44 | sing | 1.45Å | 1.40Å | |
| C02 | O03 | doub | 1.22Å | 1.19Å | |
| C02 | NP4 | sing | 1.35Å | 1.39Å | |
| NP4 | C05 | sing | 1.47Å | 1.49Å | |
| NP4 | H1 | sing | 0.97Å | 1.01Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | C36 | sing | 1.53Å | 1.53Å | |
| C05 | H2 | sing | 1.09Å | 1.09Å | |
| C06 | O07 | sing | 1.43Å | 1.44Å | |
| C06 | C08 | sing | 1.53Å | 1.59Å | |
| C06 | H3 | sing | 1.09Å | 1.14Å | |
| O07 | H4 | sing | 0.97Å | 0.99Å | |
| C08 | C09 | sing | 1.53Å | 1.56Å | |
| C08 | H5 | sing | 1.09Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C17 | sing | 1.52Å | 1.55Å | |
| C09 | N29 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H7 | sing | 1.09Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.07Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.36Å | Aromatic |
| C13 | H10 | sing | 1.08Å | 1.09Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | O18 | doub | 1.22Å | 1.21Å | |
| C17 | C35 | sing | 1.40Å | 1.43Å | |
| C19 | C20 | sing | 1.54Å | 1.56Å | |
| C19 | C28 | sing | 1.52Å | 1.51Å | |
| C19 | C35 | sing | 1.51Å | 1.49Å | |
| C19 | H14 | sing | 1.09Å | 1.08Å | |
| C20 | O1 | sing | 1.45Å | 1.45Å | |
| C20 | C22 | sing | 1.54Å | 1.54Å | |
| C20 | H15 | sing | 1.09Å | 1.09Å | |
| O1 | C1 | sing | 1.35Å | 1.33Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C22 | H16 | sing | 1.09Å | 1.08Å | |
| C22 | H17 | sing | 1.09Å | 1.07Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | H18 | sing | 1.08Å | 1.09Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| N29 | C30 | sing | 1.36Å | 1.46Å | |
| N29 | H22 | sing | 0.97Å | 1.01Å | |
| C30 | C35 | doub | 1.35Å | 1.32Å | |
| C30 | H23 | sing | 1.08Å | 1.06Å | |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C36 | H24 | sing | 1.09Å | 1.07Å | |
| C36 | H25 | sing | 1.09Å | 1.08Å | |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C42 | sing | 1.38Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | H26 | sing | 1.08Å | 1.08Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | H27 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | H28 | sing | 1.08Å | 1.09Å | |
| C41 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| C42 | H30 | sing | 1.08Å | 1.09Å | |
| C44 | C45 | sing | 1.55Å | 1.48Å | |
| C44 | C48 | sing | 1.54Å | 1.50Å | |
| C44 | H31 | sing | 1.09Å | 1.09Å | |
| C45 | O46 | sing | 1.45Å | 1.40Å | |
| C45 | H32 | sing | 1.09Å | 1.08Å | |
| C45 | H33 | sing | 1.09Å | 1.08Å | |
| O46 | C47 | sing | 1.45Å | 1.45Å | |
| C47 | C48 | sing | 1.54Å | 1.55Å | |
| C47 | H34 | sing | 1.09Å | 1.08Å | |
| C47 | H35 | sing | 1.09Å | 1.07Å | |
| C48 | H36 | sing | 1.09Å | 1.08Å | |
| C48 | H37 | sing | 1.09Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C1 | O2 | doub | 1.22Å | 1.20Å | |
| N1 | H38 | sing | 0.97Å | 0.99Å | |
| N1 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | O01 | C44 | 124.7° | 120.0° |
| O01 | C02 | O03 | 121.5° | 120.1° |
| O01 | C02 | NP4 | 111.1° | 119.9° |
| O01 | C44 | C45 | 120.4° | 110.5° |
| O01 | C44 | C48 | 132.5° | 110.5° |
| O01 | C44 | H31 | 78.1° | 110.5° |
| O03 | C02 | NP4 | 127.4° | 120.0° |
| C02 | NP4 | C05 | 128.7° | 120.0° |
| C02 | NP4 | H1 | 114.9° | 120.0° |
| C05 | NP4 | H1 | 115.8° | 120.0° |
| NP4 | C05 | C06 | 114.4° | 109.5° |
| NP4 | C05 | C36 | 107.7° | 109.5° |
| NP4 | C05 | H2 | 101.3° | 109.4° |
| C06 | C05 | C36 | 115.1° | 109.5° |
| C06 | C05 | H2 | 109.2° | 109.5° |
| C05 | C06 | O07 | 108.6° | 109.5° |
| C05 | C06 | C08 | 112.5° | 109.5° |
| C05 | C06 | H3 | 97.0° | 109.4° |
| C36 | C05 | H2 | 108.2° | 109.5° |
| C05 | C36 | C37 | 109.0° | 109.5° |
| C05 | C36 | H24 | 112.0° | 109.5° |
| C05 | C36 | H25 | 111.2° | 109.4° |
| O07 | C06 | C08 | 100.9° | 109.5° |
| O07 | C06 | H3 | 127.3° | 109.5° |
| C06 | O07 | H4 | 130.0° | 106.8° |
| C08 | C06 | H3 | 110.7° | 109.5° |
| C06 | C08 | C09 | 111.1° | 109.5° |
| C06 | C08 | H5 | 106.7° | 109.5° |
| C06 | C08 | H6 | 120.0° | 109.4° |
| C09 | C08 | H5 | 106.7° | 109.5° |
| C09 | C08 | H6 | 110.9° | 109.5° |
| C08 | C09 | C10 | 111.9° | 110.4° |
| C08 | C09 | C17 | 107.7° | 110.3° |
| C08 | C09 | N29 | 109.9° | 110.5° |
| H5 | C08 | H6 | 100.0° | 109.4° |
| C10 | C09 | C17 | 108.7° | 110.8° |
| C10 | C09 | N29 | 115.9° | 110.5° |
| C09 | C10 | C11 | 110.7° | 109.5° |
| C09 | C10 | H7 | 110.3° | 109.5° |
| C09 | C10 | H8 | 109.3° | 109.4° |
| C17 | C09 | N29 | 102.0° | 104.1° |
| C09 | C17 | O18 | 123.6° | 127.3° |
| C09 | C17 | C35 | 109.4° | 105.4° |
| C09 | N29 | C30 | 106.5° | 107.6° |
| C09 | N29 | H22 | 110.9° | 126.2° |
| C11 | C10 | H7 | 109.5° | 109.5° |
| C11 | C10 | H8 | 108.7° | 109.4° |
| C10 | C11 | C12 | 117.9° | 119.9° |
| C10 | C11 | C16 | 122.1° | 120.0° |
| H7 | C10 | H8 | 108.3° | 109.5° |
| C12 | C11 | C16 | 120.0° | 120.1° |
| C11 | C12 | C13 | 121.6° | 119.9° |
| C11 | C12 | H9 | 120.2° | 120.0° |
| C11 | C16 | C15 | 117.8° | 120.0° |
| C11 | C16 | H13 | 120.9° | 120.1° |
| C13 | C12 | H9 | 118.0° | 120.0° |
| C12 | C13 | C14 | 119.0° | 120.0° |
| C12 | C13 | H10 | 119.4° | 120.0° |
| C14 | C13 | H10 | 121.5° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.0° |
| C13 | C14 | H11 | 118.4° | 120.0° |
| C15 | C14 | H11 | 122.0° | 120.0° |
| C14 | C15 | C16 | 122.0° | 120.0° |
| C14 | C15 | H12 | 117.0° | 120.0° |
| C16 | C15 | H12 | 121.0° | 120.0° |
| C15 | C16 | H13 | 121.3° | 119.9° |
| O18 | C17 | C35 | 126.8° | 127.3° |
| C17 | C35 | C19 | 122.4° | 124.8° |
| C17 | C35 | C30 | 107.2° | 110.4° |
| C20 | C19 | C28 | 97.9° | 104.9° |
| C20 | C19 | C35 | 114.6° | 110.5° |
| C20 | C19 | H14 | 107.7° | 110.5° |
| C19 | C20 | O1 | 105.4° | 110.9° |
| C19 | C20 | C22 | 106.8° | 102.5° |
| C19 | C20 | H15 | 112.9° | 110.8° |
| C28 | C19 | C35 | 118.1° | 110.3° |
| C28 | C19 | H14 | 108.2° | 110.3° |
| C19 | C28 | C23 | 110.3° | 109.8° |
| C19 | C28 | C27 | 129.4° | 130.4° |
| C35 | C19 | H14 | 109.4° | 110.3° |
| C19 | C35 | C30 | 130.4° | 124.8° |
| O1 | C20 | C22 | 106.1° | 110.8° |
| O1 | C20 | H15 | 110.2° | 110.7° |
| C20 | O1 | C1 | 125.9° | 120.0° |
| C22 | C20 | H15 | 114.8° | 110.8° |
| C20 | C22 | C23 | 97.7° | 105.2° |
| C20 | C22 | H16 | 110.6° | 110.3° |
| C20 | C22 | H17 | 116.1° | 110.3° |
| O1 | C1 | N1 | 116.3° | 120.0° |
| O1 | C1 | O2 | 120.4° | 120.0° |
| C23 | C22 | H16 | 109.9° | 110.3° |
| C23 | C22 | H17 | 113.5° | 110.3° |
| C22 | C23 | C24 | 126.5° | 130.4° |
| C22 | C23 | C28 | 112.0° | 109.7° |
| H16 | C22 | H17 | 108.7° | 110.3° |
| C24 | C23 | C28 | 121.5° | 119.9° |
| C23 | C24 | C25 | 118.2° | 120.2° |
| C23 | C24 | H18 | 119.8° | 119.9° |
| C23 | C28 | C27 | 120.3° | 119.8° |
| C25 | C24 | H18 | 122.0° | 119.9° |
| C24 | C25 | C26 | 120.8° | 120.0° |
| C24 | C25 | H19 | 116.7° | 120.0° |
| C26 | C25 | H19 | 122.5° | 120.0° |
| C25 | C26 | C27 | 120.8° | 119.9° |
| C25 | C26 | H20 | 120.4° | 120.0° |
| C27 | C26 | H20 | 118.5° | 120.0° |
| C26 | C27 | C28 | 118.5° | 120.2° |
| C26 | C27 | H21 | 120.7° | 119.9° |
| C28 | C27 | H21 | 120.8° | 119.9° |
| C30 | N29 | H22 | 104.0° | 126.2° |
| N29 | C30 | C35 | 114.5° | 112.4° |
| N29 | C30 | H23 | 123.9° | 123.8° |
| C35 | C30 | H23 | 121.6° | 123.8° |
| C37 | C36 | H24 | 110.0° | 109.5° |
| C37 | C36 | H25 | 106.9° | 109.5° |
| C36 | C37 | C38 | 117.9° | 120.0° |
| C36 | C37 | C42 | 123.9° | 120.0° |
| H24 | C36 | H25 | 107.5° | 109.5° |
| C38 | C37 | C42 | 118.1° | 120.0° |
| C37 | C38 | C39 | 120.4° | 120.0° |
| C37 | C38 | H26 | 121.2° | 120.0° |
| C37 | C42 | C41 | 121.3° | 120.0° |
| C37 | C42 | H30 | 120.4° | 120.0° |
| C39 | C38 | H26 | 118.5° | 120.0° |
| C38 | C39 | C40 | 121.5° | 120.0° |
| C38 | C39 | H27 | 119.1° | 120.0° |
| C40 | C39 | H27 | 119.4° | 120.0° |
| C39 | C40 | C41 | 118.6° | 120.0° |
| C39 | C40 | H28 | 118.7° | 120.0° |
| C41 | C40 | H28 | 122.7° | 120.0° |
| C40 | C41 | C42 | 120.0° | 120.0° |
| C40 | C41 | H29 | 119.2° | 120.0° |
| C42 | C41 | H29 | 120.6° | 120.0° |
| C41 | C42 | H30 | 118.1° | 120.0° |
| C45 | C44 | C48 | 106.8° | 104.2° |
| C45 | C44 | H31 | 98.4° | 110.5° |
| C44 | C45 | O46 | 97.0° | 104.7° |
| C44 | C45 | H32 | 113.6° | 110.3° |
| C44 | C45 | H33 | 114.4° | 110.6° |
| C48 | C44 | H31 | 90.2° | 110.5° |
| C44 | C48 | C47 | 98.6° | 104.1° |
| C44 | C48 | H36 | 115.4° | 110.5° |
| C44 | C48 | H37 | 106.1° | 110.5° |
| O46 | C45 | H32 | 111.5° | 110.4° |
| O46 | C45 | H33 | 111.9° | 110.4° |
| C45 | O46 | C47 | 109.7° | 105.4° |
| H32 | C45 | H33 | 108.2° | 110.4° |
| O46 | C47 | C48 | 105.0° | 104.8° |
| O46 | C47 | H34 | 106.6° | 110.4° |
| O46 | C47 | H35 | 111.3° | 110.3° |
| C48 | C47 | H34 | 109.6° | 110.4° |
| C48 | C47 | H35 | 114.5° | 110.4° |
| C47 | C48 | H36 | 114.7° | 110.5° |
| C47 | C48 | H37 | 111.4° | 110.5° |
| H34 | C47 | H35 | 109.4° | 110.4° |
| H36 | C48 | H37 | 110.0° | 110.6° |
| N1 | C1 | O2 | 122.8° | 120.0° |
| C1 | N1 | H38 | 109.7° | 119.9° |
| C1 | N1 | H39 | 125.0° | 120.0° |
| H38 | N1 | H39 | 125.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | NP4 | 179.1° | 180.0° |
| O01 | C02 | NP4 | C05 | 170.6° | 180.0° |
| O01 | C02 | NP4 | H1 | 0.4° | 0.0° |
| C02 | O01 | C44 | C45 | 160.7° | 93.3° |
| C02 | O01 | C44 | C48 | 27.3° | 151.9° |
| C02 | O01 | C44 | H31 | 106.4° | 29.3° |
| C44 | O01 | C02 | O03 | 24.8° | 0.0° |
| C44 | O01 | C02 | NP4 | 154.4° | 180.0° |
| O01 | C44 | C45 | C48 | 173.9° | 118.7° |
| O01 | C44 | C45 | H31 | 81.0° | 122.6° |
| O01 | C44 | C48 | H31 | 73.9° | 122.6° |
| O01 | C44 | C45 | O46 | 126.4° | 142.5° |
| O01 | C44 | C45 | H32 | 116.5° | 23.8° |
| O01 | C44 | C45 | H33 | 8.3° | 98.6° |
| O01 | C44 | C48 | C47 | 139.6° | 118.6° |
| O01 | C44 | C48 | H36 | 16.9° | 122.7° |
| O01 | C44 | C48 | H37 | 105.1° | 0.0° |
| O03 | C02 | NP4 | C05 | 10.3° | 0.0° |
| O03 | C02 | NP4 | H1 | 179.6° | 179.9° |
| C02 | NP4 | C05 | H1 | 170.1° | 180.0° |
| C02 | NP4 | C05 | C06 | 92.9° | 155.0° |
| C02 | NP4 | C05 | C36 | 137.8° | 85.0° |
| C02 | NP4 | C05 | H2 | 24.4° | 35.0° |
| NP4 | C05 | C06 | C36 | 125.5° | 120.0° |
| NP4 | C05 | C06 | H2 | 112.7° | 120.0° |
| NP4 | C05 | C36 | H2 | 108.7° | 119.9° |
| NP4 | C05 | C06 | O07 | 58.5° | 60.0° |
| NP4 | C05 | C06 | C08 | 52.3° | 60.0° |
| NP4 | C05 | C06 | H3 | 168.2° | 180.0° |
| NP4 | C05 | C36 | C37 | 55.2° | 65.0° |
| NP4 | C05 | C36 | H24 | 177.2° | 55.0° |
| NP4 | C05 | C36 | H25 | 62.5° | 175.0° |
| H1 | NP4 | C05 | C06 | 97.0° | 25.1° |
| H1 | NP4 | C05 | C36 | 32.3° | 95.0° |
| H1 | NP4 | C05 | H2 | 145.7° | 145.1° |
| C06 | C05 | C36 | H2 | 122.4° | 120.1° |
| C05 | C06 | O07 | C08 | 118.4° | 120.0° |
| C05 | C06 | O07 | H3 | 114.7° | 120.0° |
| C05 | C06 | C08 | H3 | 107.3° | 119.9° |
| C05 | C06 | O07 | H4 | 149.4° | 60.0° |
| C05 | C06 | C08 | C09 | 146.8° | 175.0° |
| C05 | C06 | C08 | H5 | 30.8° | 55.0° |
| C05 | C06 | C08 | H6 | 81.6° | 65.0° |
| C06 | C05 | C36 | C37 | 175.9° | 175.0° |
| C06 | C05 | C36 | H24 | 53.9° | 65.0° |
| C06 | C05 | C36 | H25 | 66.5° | 55.0° |
| C36 | C05 | C06 | O07 | 67.0° | 60.0° |
| C36 | C05 | C06 | C08 | 177.8° | 180.0° |
| C36 | C05 | C06 | H3 | 66.3° | 60.0° |
| C05 | C36 | C37 | H24 | 123.2° | 120.0° |
| C05 | C36 | C37 | H25 | 120.4° | 120.0° |
| C05 | C36 | H24 | H25 | 122.5° | 120.0° |
| C05 | C36 | C37 | C38 | 67.8° | 90.0° |
| C05 | C36 | C37 | C42 | 109.6° | 90.2° |
| H2 | C05 | C06 | O07 | 171.2° | 180.0° |
| H2 | C05 | C06 | C08 | 60.4° | 60.0° |
| H2 | C05 | C06 | H3 | 55.5° | 60.0° |
| H2 | C05 | C36 | C37 | 53.5° | 54.9° |
| H2 | C05 | C36 | H24 | 68.5° | 174.9° |
| H2 | C05 | C36 | H25 | 171.2° | 65.1° |
| O07 | C06 | C08 | H3 | 137.1° | 120.0° |
| O07 | C06 | C08 | C09 | 97.7° | 65.0° |
| O07 | C06 | C08 | H5 | 146.4° | 175.0° |
| O07 | C06 | C08 | H6 | 34.0° | 55.0° |
| C08 | C06 | O07 | H4 | 92.2° | 60.0° |
| C06 | C08 | C09 | H5 | 115.9° | 120.0° |
| C06 | C08 | C09 | H6 | 136.2° | 120.0° |
| C06 | C08 | H5 | H6 | 125.7° | 119.9° |
| C06 | C08 | C09 | C10 | 171.5° | 178.2° |
| C06 | C08 | C09 | C17 | 69.1° | 55.3° |
| C06 | C08 | C09 | N29 | 41.3° | 59.3° |
| H3 | C06 | O07 | H4 | 34.7° | 180.0° |
| H3 | C06 | C08 | C09 | 39.4° | 55.0° |
| H3 | C06 | C08 | H5 | 76.5° | 65.0° |
| H3 | C06 | C08 | H6 | 171.1° | 175.1° |
| C09 | C08 | H5 | H6 | 115.5° | 120.0° |
| C08 | C09 | C10 | C17 | 118.8° | 122.6° |
| C08 | C09 | C10 | N29 | 127.1° | 122.5° |
| C08 | C09 | C17 | N29 | 115.7° | 118.6° |
| C08 | C09 | C10 | C11 | 164.8° | 176.9° |
| C08 | C09 | C10 | H7 | 43.5° | 56.8° |
| C08 | C09 | C10 | H8 | 75.5° | 63.2° |
| C08 | C09 | C17 | O18 | 55.4° | 61.5° |
| C08 | C09 | C17 | C35 | 121.2° | 119.0° |
| C08 | C09 | N29 | C30 | 119.8° | 118.7° |
| C08 | C09 | N29 | H22 | 7.2° | 61.4° |
| H5 | C08 | C09 | C10 | 72.6° | 58.2° |
| H5 | C08 | C09 | C17 | 46.8° | 64.7° |
| H5 | C08 | C09 | N29 | 157.2° | 179.3° |
| H6 | C08 | C09 | C10 | 35.3° | 61.8° |
| H6 | C08 | C09 | C17 | 154.7° | 175.3° |
| H6 | C08 | C09 | N29 | 94.9° | 60.7° |
| C10 | C09 | C17 | N29 | 122.9° | 118.8° |
| C09 | C10 | C11 | H7 | 121.8° | 120.1° |
| C09 | C10 | C11 | H8 | 120.1° | 119.9° |
| C09 | C10 | H7 | H8 | 119.6° | 120.0° |
| C09 | C10 | C11 | C12 | 86.0° | 90.0° |
| C09 | C10 | C11 | C16 | 93.1° | 90.2° |
| C10 | C09 | C17 | O18 | 66.0° | 61.2° |
| C10 | C09 | C17 | C35 | 117.4° | 118.4° |
| C10 | C09 | N29 | C30 | 112.2° | 118.8° |
| C10 | C09 | N29 | H22 | 135.3° | 61.1° |
| C17 | C09 | C10 | C11 | 46.0° | 60.5° |
| C17 | C09 | C10 | H7 | 75.3° | 179.4° |
| C17 | C09 | C10 | H8 | 165.7° | 59.4° |
| C09 | C17 | O18 | C35 | 176.0° | 179.5° |
| C09 | C17 | C35 | C19 | 175.4° | 179.9° |
| C17 | C09 | N29 | C30 | 5.7° | 0.3° |
| C17 | C09 | N29 | H22 | 106.8° | 179.9° |
| C09 | C17 | C35 | C30 | 3.0° | 0.4° |
| N29 | C09 | C10 | C11 | 68.1° | 54.4° |
| N29 | C09 | C10 | H7 | 170.6° | 65.7° |
| N29 | C09 | C10 | H8 | 51.6° | 174.3° |
| N29 | C09 | C17 | O18 | 171.1° | 180.0° |
| N29 | C09 | C17 | C35 | 5.5° | 0.4° |
| C09 | N29 | C30 | H22 | 117.2° | 179.9° |
| C09 | N29 | C30 | C35 | 4.6° | 0.0° |
| C09 | N29 | C30 | H23 | 172.6° | 179.9° |
| C11 | C10 | H7 | H8 | 118.4° | 120.0° |
| C10 | C11 | C12 | C16 | 179.1° | 179.8° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | H9 | 4.3° | 0.0° |
| C10 | C11 | C16 | C15 | 179.5° | 179.8° |
| C10 | C11 | C16 | H13 | 3.2° | 0.2° |
| H7 | C10 | C11 | C12 | 152.3° | 30.1° |
| H7 | C10 | C11 | C16 | 28.6° | 149.7° |
| H8 | C10 | C11 | C12 | 34.1° | 150.0° |
| H8 | C10 | C11 | C16 | 146.8° | 29.7° |
| C11 | C12 | C13 | H9 | 175.6° | 180.0° |
| C11 | C12 | C13 | C14 | 1.3° | 0.0° |
| C11 | C12 | C13 | H10 | 177.4° | 180.0° |
| C12 | C11 | C16 | C15 | 0.4° | 0.4° |
| C12 | C11 | C16 | H13 | 177.7° | 180.0° |
| C16 | C11 | C12 | C13 | 0.8° | 0.2° |
| C16 | C11 | C12 | H9 | 174.8° | 179.8° |
| C11 | C16 | C15 | C14 | 0.7° | 0.4° |
| C11 | C16 | C15 | H13 | 177.3° | 179.6° |
| C11 | C16 | C15 | H12 | 179.4° | 179.8° |
| C12 | C13 | C14 | H10 | 175.9° | 180.0° |
| C12 | C13 | C14 | C15 | 1.6° | 0.0° |
| C12 | C13 | C14 | H11 | 177.1° | 179.9° |
| H9 | C12 | C13 | C14 | 174.3° | 180.0° |
| H9 | C12 | C13 | H10 | 1.7° | 0.0° |
| C13 | C14 | C15 | H11 | 178.6° | 179.9° |
| C13 | C14 | C15 | C16 | 1.3° | 0.2° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| H10 | C13 | C14 | C15 | 177.5° | 180.0° |
| H10 | C13 | C14 | H11 | 1.2° | 0.1° |
| C14 | C15 | C16 | H12 | 178.7° | 179.8° |
| C14 | C15 | C16 | H13 | 178.0° | 180.0° |
| H11 | C14 | C15 | C16 | 177.3° | 179.9° |
| H11 | C14 | C15 | H12 | 1.4° | 0.1° |
| H12 | C15 | C16 | H13 | 3.4° | 0.2° |
| O18 | C17 | C35 | C19 | 8.1° | 0.3° |
| O18 | C17 | C35 | C30 | 173.5° | 180.0° |
| C17 | C35 | C19 | C20 | 108.0° | 56.7° |
| C17 | C35 | C19 | C28 | 137.4° | 58.9° |
| C17 | C35 | C19 | C30 | 178.0° | 179.6° |
| C17 | C35 | C19 | H14 | 13.1° | 179.1° |
| C17 | C35 | C30 | N29 | 0.9° | 0.3° |
| C17 | C35 | C30 | H23 | 176.3° | 179.8° |
| C20 | C19 | C28 | C35 | 123.4° | 119.0° |
| C20 | C19 | C28 | H14 | 111.7° | 119.0° |
| C20 | C19 | C35 | H14 | 121.1° | 122.4° |
| C19 | C20 | O1 | C22 | 113.1° | 113.2° |
| C19 | C20 | O1 | H15 | 122.1° | 123.5° |
| C19 | C20 | C22 | H15 | 126.0° | 118.3° |
| C19 | C20 | O1 | C1 | 161.8° | 152.7° |
| C19 | C20 | C22 | C23 | 37.6° | 26.5° |
| C19 | C20 | C22 | H16 | 77.0° | 145.4° |
| C19 | C20 | C22 | H17 | 158.6° | 92.5° |
| C20 | C19 | C28 | C23 | 21.8° | 17.3° |
| C20 | C19 | C28 | C27 | 162.0° | 162.8° |
| C20 | C19 | C35 | C30 | 70.0° | 123.0° |
| C28 | C19 | C35 | H14 | 124.3° | 122.1° |
| C28 | C19 | C20 | O1 | 75.4° | 91.9° |
| C28 | C19 | C20 | C22 | 37.2° | 26.4° |
| C28 | C19 | C20 | H15 | 164.3° | 144.7° |
| C19 | C28 | C23 | C22 | 1.2° | 0.1° |
| C19 | C28 | C23 | C24 | 178.0° | 180.0° |
| C19 | C28 | C23 | C27 | 176.6° | 179.9° |
| C19 | C28 | C27 | C26 | 176.1° | 179.9° |
| C19 | C28 | C27 | H21 | 5.4° | 0.0° |
| C28 | C19 | C35 | C30 | 44.6° | 121.5° |
| C35 | C19 | C20 | O1 | 50.6° | 26.9° |
| C35 | C19 | C20 | C22 | 163.1° | 145.2° |
| C35 | C19 | C20 | H15 | 69.8° | 96.5° |
| C35 | C19 | C28 | C23 | 145.2° | 136.2° |
| C35 | C19 | C28 | C27 | 38.6° | 43.9° |
| C19 | C35 | C30 | N29 | 179.1° | 180.0° |
| C19 | C35 | C30 | H23 | 1.9° | 0.1° |
| H14 | C19 | C20 | O1 | 172.6° | 149.2° |
| H14 | C19 | C20 | C22 | 74.9° | 92.5° |
| H14 | C19 | C20 | H15 | 52.2° | 25.8° |
| H14 | C19 | C28 | C23 | 89.9° | 101.7° |
| H14 | C19 | C28 | C27 | 86.3° | 78.2° |
| H14 | C19 | C35 | C30 | 169.0° | 0.5° |
| O1 | C20 | C22 | H15 | 121.9° | 123.3° |
| O1 | C20 | C22 | C23 | 74.4° | 91.9° |
| O1 | C20 | C22 | H16 | 171.0° | 27.1° |
| O1 | C20 | C22 | H17 | 46.5° | 149.2° |
| C20 | O1 | C1 | N1 | 9.5° | 180.0° |
| C20 | O1 | C1 | O2 | 178.6° | 0.1° |
| C22 | C20 | O1 | C1 | 85.1° | 94.2° |
| C20 | C22 | C23 | H16 | 115.2° | 118.9° |
| C20 | C22 | C23 | H17 | 122.9° | 118.9° |
| C20 | C22 | H16 | H17 | 128.5° | 122.1° |
| C20 | C22 | C23 | C24 | 159.5° | 162.8° |
| C20 | C22 | C23 | C28 | 23.9° | 17.2° |
| H15 | C20 | O1 | C1 | 39.7° | 29.2° |
| H15 | C20 | C22 | C23 | 163.7° | 144.8° |
| H15 | C20 | C22 | H16 | 49.0° | 96.3° |
| H15 | C20 | C22 | H17 | 75.4° | 25.9° |
| O1 | C1 | N1 | O2 | 171.7° | 179.9° |
| O1 | C1 | N1 | H38 | 178.3° | 179.9° |
| O1 | C1 | N1 | H39 | 0.6° | 0.2° |
| C23 | C22 | H16 | H17 | 124.7° | 122.1° |
| C22 | C23 | C24 | C28 | 176.3° | 180.0° |
| C22 | C23 | C24 | C25 | 174.5° | 180.0° |
| C22 | C23 | C24 | H18 | 3.1° | 0.0° |
| C22 | C23 | C28 | C27 | 175.4° | 180.0° |
| H16 | C22 | C23 | C24 | 85.3° | 43.9° |
| H16 | C22 | C23 | C28 | 91.3° | 136.1° |
| H17 | C22 | C23 | C24 | 36.6° | 78.3° |
| H17 | C22 | C23 | C28 | 146.8° | 101.8° |
| C23 | C24 | C25 | H18 | 177.5° | 180.0° |
| C23 | C24 | C25 | C26 | 1.1° | 0.0° |
| C23 | C24 | C25 | H19 | 179.3° | 180.0° |
| C24 | C23 | C28 | C27 | 1.4° | 0.0° |
| C28 | C23 | C24 | C25 | 1.8° | 0.1° |
| C28 | C23 | C24 | H18 | 179.4° | 180.0° |
| C23 | C28 | C27 | C26 | 0.2° | 0.0° |
| C23 | C28 | C27 | H21 | 178.7° | 179.9° |
| C24 | C25 | C26 | H19 | 178.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H20 | 174.2° | 180.0° |
| H18 | C24 | C25 | C26 | 178.7° | 180.0° |
| H18 | C24 | C25 | H19 | 3.2° | 0.0° |
| C25 | C26 | C27 | H20 | 174.3° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C25 | C26 | C27 | H21 | 178.1° | 180.0° |
| H19 | C25 | C26 | C27 | 178.0° | 179.9° |
| H19 | C25 | C26 | H20 | 3.8° | 0.0° |
| C26 | C27 | C28 | H21 | 178.5° | 179.9° |
| H20 | C26 | C27 | C28 | 174.8° | 180.0° |
| H20 | C26 | C27 | H21 | 3.7° | 0.1° |
| N29 | C30 | C35 | H23 | 177.2° | 179.9° |
| H22 | N29 | C30 | C35 | 112.6° | 179.9° |
| H22 | N29 | C30 | H23 | 70.2° | 0.0° |
| C37 | C36 | H24 | H25 | 116.1° | 120.0° |
| C36 | C37 | C38 | C42 | 177.6° | 179.8° |
| C36 | C37 | C38 | C39 | 173.6° | 180.0° |
| C36 | C37 | C38 | H26 | 6.2° | 0.1° |
| C36 | C37 | C42 | C41 | 174.8° | 179.8° |
| C36 | C37 | C42 | H30 | 0.0° | 0.2° |
| H24 | C36 | C37 | C38 | 55.4° | 30.0° |
| H24 | C36 | C37 | C42 | 127.2° | 149.8° |
| H25 | C36 | C37 | C38 | 171.8° | 150.0° |
| H25 | C36 | C37 | C42 | 10.8° | 29.8° |
| C37 | C38 | C39 | H26 | 179.8° | 179.9° |
| C37 | C38 | C39 | C40 | 2.4° | 0.0° |
| C37 | C38 | C39 | H27 | 178.9° | 180.0° |
| C38 | C37 | C42 | C41 | 2.6° | 0.4° |
| C38 | C37 | C42 | H30 | 177.4° | 180.0° |
| C42 | C37 | C38 | C39 | 4.0° | 0.2° |
| C42 | C37 | C38 | H26 | 176.2° | 179.7° |
| C37 | C42 | C41 | C40 | 0.5° | 0.4° |
| C37 | C42 | C41 | H30 | 174.9° | 179.6° |
| C37 | C42 | C41 | H29 | 176.0° | 179.7° |
| C38 | C39 | C40 | H27 | 178.7° | 180.0° |
| C38 | C39 | C40 | C41 | 0.8° | 0.0° |
| C38 | C39 | C40 | H28 | 180.0° | 179.9° |
| H26 | C38 | C39 | C40 | 177.9° | 179.9° |
| H26 | C38 | C39 | H27 | 0.8° | 0.1° |
| C39 | C40 | C41 | H28 | 179.2° | 179.9° |
| C39 | C40 | C41 | C42 | 2.2° | 0.2° |
| C39 | C40 | C41 | H29 | 177.8° | 179.9° |
| H27 | C39 | C40 | C41 | 177.9° | 180.0° |
| H27 | C39 | C40 | H28 | 1.3° | 0.1° |
| C40 | C41 | C42 | H29 | 175.6° | 179.9° |
| C40 | C41 | C42 | H30 | 174.4° | 180.0° |
| H28 | C40 | C41 | C42 | 178.6° | 179.9° |
| H28 | C40 | C41 | H29 | 3.0° | 0.0° |
| H29 | C41 | C42 | H30 | 1.2° | 0.1° |
| C45 | C44 | C48 | H31 | 98.9° | 118.7° |
| C44 | C45 | O46 | H32 | 118.8° | 118.7° |
| C44 | C45 | O46 | H33 | 119.9° | 119.0° |
| C44 | C45 | H32 | H33 | 128.2° | 122.5° |
| C44 | C45 | O46 | C47 | 43.1° | 40.3° |
| C45 | C44 | C48 | C47 | 33.2° | 0.1° |
| C45 | C44 | C48 | H36 | 155.9° | 118.6° |
| C45 | C44 | C48 | H37 | 82.1° | 118.7° |
| C48 | C44 | C45 | O46 | 47.5° | 23.8° |
| C48 | C44 | C45 | H32 | 69.6° | 94.9° |
| C48 | C44 | C45 | H33 | 165.5° | 142.7° |
| C44 | C48 | C47 | O46 | 6.6° | 23.9° |
| C44 | C48 | C47 | H36 | 123.2° | 118.6° |
| C44 | C48 | C47 | H37 | 111.2° | 118.7° |
| C44 | C48 | C47 | H34 | 120.8° | 142.8° |
| C44 | C48 | C47 | H35 | 115.8° | 94.8° |
| C44 | C48 | H36 | H37 | 120.0° | 122.7° |
| H31 | C44 | C45 | O46 | 45.3° | 94.9° |
| H31 | C44 | C45 | H32 | 162.4° | 146.4° |
| H31 | C44 | C45 | H33 | 72.7° | 23.9° |
| H31 | C44 | C48 | C47 | 65.6° | 118.8° |
| H31 | C44 | C48 | H36 | 57.0° | 0.2° |
| H31 | C44 | C48 | H37 | 179.1° | 122.6° |
| O46 | C45 | H32 | H33 | 123.5° | 122.3° |
| C45 | O46 | C47 | C48 | 23.9° | 40.4° |
| C45 | O46 | C47 | H34 | 92.4° | 159.3° |
| C45 | O46 | C47 | H35 | 148.3° | 78.4° |
| H32 | C45 | O46 | C47 | 75.6° | 78.3° |
| H33 | C45 | O46 | C47 | 163.1° | 159.3° |
| O46 | C47 | C48 | H34 | 114.2° | 118.9° |
| O46 | C47 | C48 | H35 | 122.4° | 118.8° |
| O46 | C47 | H34 | H35 | 120.5° | 122.2° |
| O46 | C47 | C48 | H36 | 129.7° | 94.7° |
| O46 | C47 | C48 | H37 | 104.6° | 142.6° |
| C48 | C47 | H34 | H35 | 126.4° | 122.4° |
| C47 | C48 | H36 | H37 | 126.4° | 122.6° |
| H34 | C47 | C48 | H36 | 116.0° | 24.2° |
| H34 | C47 | C48 | H37 | 9.6° | 98.5° |
| H35 | C47 | C48 | H36 | 7.4° | 146.5° |
| H35 | C47 | C48 | H37 | 133.0° | 23.8° |
| C1 | N1 | H38 | H39 | 178.9° | 179.7° |
| O2 | C1 | N1 | H38 | 6.6° | 0.0° |
| O2 | C1 | N1 | H39 | 172.3° | 179.7° |
