A1IRY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C19 | doub | 1.23Å | 1.27Å | |
| O2 | FE | sing | 1.96Å | 2.05Å | |
| O3 | N13 | sing | 1.29Å | 1.37Å | |
| O3 | FE | sing | 2.34Å | 1.96Å | |
| O4 | C21 | sing | 1.26Å | 1.32Å | |
| O4 | FE | sing | 2.16Å | 1.93Å | |
| O5 | N14 | sing | 1.30Å | 1.37Å | |
| O5 | FE | sing | 2.20Å | 1.97Å | |
| O6 | C22 | doub | 1.23Å | 1.28Å | |
| O6 | FE | sing | 2.43Å | 2.06Å | |
| O7 | C18 | sing | 1.36Å | 1.35Å | |
| O7 | C20 | sing | 1.45Å | 1.47Å | |
| O8 | C24 | doub | 1.23Å | 1.23Å | |
| O9 | C41 | sing | 1.35Å | 1.34Å | |
| O9 | C45 | sing | 1.48Å | 1.47Å | |
| O10 | C37 | doub | 1.24Å | 1.23Å | |
| O11 | C41 | doub | 1.20Å | 1.21Å | |
| N12 | C17 | sing | 1.47Å | 1.49Å | |
| N12 | C18 | doub | 1.27Å | 1.29Å | |
| N12 | FE | sing | 2.25Å | 2.12Å | |
| N13 | C19 | sing | 1.33Å | 1.31Å | |
| N13 | C27 | sing | 1.47Å | 1.48Å | |
| N14 | C22 | sing | 1.36Å | 1.37Å | |
| N14 | C29 | sing | 1.47Å | 1.53Å | |
| N15 | C24 | sing | 1.36Å | 1.34Å | |
| N15 | C33 | sing | 1.46Å | 1.45Å | |
| N16 | C25 | sing | 1.46Å | 1.45Å | |
| N16 | C37 | sing | 1.35Å | 1.34Å | |
| C17 | C20 | sing | 1.54Å | 1.55Å | |
| C17 | C24 | sing | 1.55Å | 1.53Å | |
| C18 | C23 | sing | 1.46Å | 1.46Å | |
| C19 | C25 | sing | 1.54Å | 1.52Å | |
| C21 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C28 | doub | 1.42Å | 1.39Å | Aromatic |
| C22 | C30 | sing | 1.50Å | 1.48Å | |
| C23 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C32 | sing | 1.54Å | 1.54Å | |
| C26 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C36 | sing | 1.56Å | 1.51Å | |
| C28 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C39 | sing | 1.54Å | 1.51Å | |
| C30 | C49 | doub | 1.33Å | 1.33Å | |
| C32 | C38 | sing | 1.56Å | 1.52Å | |
| C33 | C41 | sing | 1.55Å | 1.52Å | |
| C33 | C43 | sing | 1.55Å | 1.54Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | C42 | sing | 1.52Å | 1.51Å | |
| C39 | C44 | sing | 1.53Å | 1.52Å | |
| C42 | C45 | sing | 1.53Å | 1.52Å | |
| C43 | C44 | sing | 1.56Å | 1.53Å | |
| C45 | C48 | sing | 1.52Å | 1.51Å | |
| C49 | C50 | sing | 1.51Å | 1.49Å | |
| C50 | C51 | sing | 1.55Å | 1.53Å | |
| C51 | C52 | sing | 1.55Å | 1.52Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C60 | C61 | sing | 1.53Å | 1.52Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C62 | C63 | sing | 1.53Å | 1.53Å | |
| C63 | C64 | sing | 1.53Å | 1.52Å | |
| C64 | C65 | sing | 1.54Å | 1.52Å | |
| C65 | C66 | sing | 1.52Å | 1.49Å | |
| C17 | H63 | sing | 0.99Å | 1.10Å | |
| C20 | H41 | sing | 0.98Å | 1.10Å | |
| C20 | H64 | sing | 0.98Å | 1.10Å | |
| C25 | H65 | sing | 1.00Å | 1.10Å | |
| C26 | H66 | sing | 0.94Å | 1.08Å | |
| C27 | H74 | sing | 0.97Å | 1.10Å | |
| C27 | H75 | sing | 0.97Å | 1.10Å | |
| C28 | H76 | sing | 0.94Å | 1.08Å | |
| C29 | H77 | sing | 0.96Å | 1.10Å | |
| C29 | H78 | sing | 0.97Å | 1.10Å | |
| C30 | H01 | sing | 0.94Å | 1.08Å | |
| C32 | H79 | sing | 0.98Å | 1.10Å | |
| C32 | H80 | sing | 0.98Å | 1.10Å | |
| C33 | H69 | sing | 1.00Å | 1.10Å | |
| C34 | H81 | sing | 0.94Å | 1.08Å | |
| C35 | H82 | sing | 0.94Å | 1.08Å | |
| C36 | H83 | sing | 0.98Å | 1.10Å | |
| C36 | H84 | sing | 0.98Å | 1.10Å | |
| C38 | H85 | sing | 0.98Å | 1.10Å | |
| C38 | H86 | sing | 0.98Å | 1.10Å | |
| C39 | H87 | sing | 0.98Å | 1.10Å | |
| C39 | H88 | sing | 0.98Å | 1.10Å | |
| C42 | H70 | sing | 0.98Å | 1.10Å | |
| C42 | H44 | sing | 0.98Å | 1.10Å | |
| C43 | H89 | sing | 0.98Å | 1.10Å | |
| C43 | H90 | sing | 0.98Å | 1.10Å | |
| C44 | H91 | sing | 0.98Å | 1.10Å | |
| C44 | H92 | sing | 0.98Å | 1.10Å | |
| C45 | H71 | sing | 0.99Å | 1.10Å | |
| C48 | H93 | sing | 0.97Å | 1.10Å | |
| C48 | H94 | sing | 0.97Å | 1.10Å | |
| C48 | H46 | sing | 0.97Å | 1.10Å | |
| C49 | H02 | sing | 0.95Å | 1.08Å | |
| C50 | H5 | sing | 0.98Å | 1.10Å | |
| C50 | H6 | sing | 0.98Å | 1.10Å | |
| C51 | H9 | sing | 0.98Å | 1.10Å | |
| C51 | H8 | sing | 0.98Å | 1.10Å | |
| C52 | H11 | sing | 0.98Å | 1.10Å | |
| C52 | H10 | sing | 0.98Å | 1.10Å | |
| C53 | H12 | sing | 0.98Å | 1.10Å | |
| C53 | H13 | sing | 0.98Å | 1.10Å | |
| C54 | H14 | sing | 0.98Å | 1.10Å | |
| C54 | H15 | sing | 0.98Å | 1.10Å | |
| C55 | H17 | sing | 0.98Å | 1.10Å | |
| C55 | H16 | sing | 0.98Å | 1.10Å | |
| C56 | H19 | sing | 0.98Å | 1.10Å | |
| C56 | H18 | sing | 0.98Å | 1.10Å | |
| C57 | H21 | sing | 0.98Å | 1.10Å | |
| C57 | H20 | sing | 0.98Å | 1.10Å | |
| C58 | H22 | sing | 0.98Å | 1.10Å | |
| C58 | H23 | sing | 0.98Å | 1.10Å | |
| C59 | H24 | sing | 0.98Å | 1.10Å | |
| C59 | H25 | sing | 0.98Å | 1.10Å | |
| C60 | H26 | sing | 0.98Å | 1.10Å | |
| C60 | H27 | sing | 0.98Å | 1.10Å | |
| C61 | H28 | sing | 0.98Å | 1.10Å | |
| C61 | H29 | sing | 0.98Å | 1.10Å | |
| C62 | H31 | sing | 0.98Å | 1.10Å | |
| C62 | H30 | sing | 0.98Å | 1.10Å | |
| C63 | H33 | sing | 0.98Å | 1.10Å | |
| C63 | H32 | sing | 0.98Å | 1.10Å | |
| C64 | H35 | sing | 0.98Å | 1.10Å | |
| C64 | H34 | sing | 0.98Å | 1.10Å | |
| C65 | H36 | sing | 0.98Å | 1.10Å | |
| C65 | H37 | sing | 0.98Å | 1.10Å | |
| C66 | H38 | sing | 0.98Å | 1.10Å | |
| C66 | H40 | sing | 0.98Å | 1.10Å | |
| C66 | H39 | sing | 0.98Å | 1.10Å | |
| N15 | H67 | sing | 0.86Å | 1.00Å | |
| N16 | H68 | sing | 0.87Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | O2 | FE | 105.2° | 99.0° |
| O2 | C19 | N13 | 118.9° | 120.4° |
| O2 | C19 | C25 | 116.1° | 121.9° |
| O2 | FE | O3 | 80.5° | 76.4° |
| O2 | FE | O4 | 159.7° | 139.9° |
| O2 | FE | O5 | 99.9° | 86.0° |
| O2 | FE | O6 | 89.4° | 56.7° |
| O2 | FE | N12 | 91.2° | 152.2° |
| N13 | O3 | FE | 100.3° | 96.4° |
| O3 | N13 | C19 | 112.6° | 118.3° |
| O3 | N13 | C27 | 110.1° | 114.5° |
| O3 | FE | O4 | 79.2° | 103.0° |
| O3 | FE | O5 | 176.0° | 132.8° |
| O3 | FE | O6 | 94.3° | 130.3° |
| O3 | FE | N12 | 91.1° | 96.4° |
| C21 | O4 | FE | 126.1° | 132.1° |
| O4 | C21 | C23 | 123.1° | 118.4° |
| O4 | C21 | C28 | 118.3° | 121.9° |
| O4 | FE | O5 | 100.3° | 117.8° |
| O4 | FE | O6 | 91.3° | 103.0° |
| O4 | FE | N12 | 90.0° | 67.8° |
| N14 | O5 | FE | 102.2° | 125.5° |
| O5 | N14 | C22 | 110.7° | 115.5° |
| O5 | N14 | C29 | 112.6° | 112.0° |
| O5 | FE | O6 | 81.8° | 63.9° |
| O5 | FE | N12 | 92.8° | 79.5° |
| C22 | O6 | FE | 100.1° | 119.0° |
| O6 | C22 | N14 | 125.4° | 116.0° |
| O6 | C22 | C30 | 120.2° | 120.6° |
| O6 | FE | N12 | 174.6° | 132.6° |
| C18 | O7 | C20 | 105.6° | 104.3° |
| O7 | C18 | N12 | 117.3° | 116.9° |
| O7 | C18 | C23 | 115.7° | 116.7° |
| O7 | C20 | C17 | 104.3° | 101.6° |
| O7 | C20 | H41 | 110.8° | 110.9° |
| O7 | C20 | H64 | 110.8° | 111.3° |
| O8 | C24 | N15 | 123.0° | 123.3° |
| O8 | C24 | C17 | 121.2° | 119.9° |
| C41 | O9 | C45 | 117.8° | 122.4° |
| O9 | C41 | O11 | 124.4° | 123.1° |
| O9 | C41 | C33 | 111.0° | 114.2° |
| O9 | C45 | C42 | 106.9° | 109.6° |
| O9 | C45 | C48 | 109.0° | 108.6° |
| O9 | C45 | H71 | 109.7° | 109.2° |
| O10 | C37 | N16 | 122.6° | 122.1° |
| O10 | C37 | C42 | 121.4° | 119.2° |
| O11 | C41 | C33 | 124.5° | 122.7° |
| C17 | N12 | C18 | 106.9° | 101.6° |
| C17 | N12 | FE | 132.2° | 126.8° |
| N12 | C17 | C20 | 101.5° | 100.9° |
| N12 | C17 | C24 | 115.4° | 105.3° |
| N12 | C17 | H63 | 108.9° | 111.8° |
| C18 | N12 | FE | 120.9° | 128.5° |
| N12 | C18 | C23 | 127.0° | 125.0° |
| C19 | N13 | C27 | 122.5° | 126.2° |
| N13 | C19 | C25 | 114.7° | 116.7° |
| N13 | C27 | C36 | 113.2° | 118.9° |
| N13 | C27 | H74 | 108.5° | 108.0° |
| N13 | C27 | H75 | 108.5° | 107.9° |
| C22 | N14 | C29 | 136.7° | 132.5° |
| N14 | C22 | C30 | 114.4° | 123.3° |
| N14 | C29 | C39 | 112.6° | 114.7° |
| N14 | C29 | H77 | 108.7° | 109.4° |
| N14 | C29 | H78 | 108.7° | 108.7° |
| C24 | N15 | C33 | 121.6° | 126.9° |
| N15 | C24 | C17 | 115.8° | 116.8° |
| C24 | N15 | H67 | 119.2° | 118.0° |
| N15 | C33 | C41 | 111.7° | 112.6° |
| N15 | C33 | C43 | 112.6° | 111.3° |
| N15 | C33 | H69 | 107.7° | 107.9° |
| C33 | N15 | H67 | 119.2° | 115.1° |
| C25 | N16 | C37 | 122.5° | 122.5° |
| N16 | C25 | C19 | 106.9° | 108.6° |
| N16 | C25 | C32 | 110.4° | 119.7° |
| N16 | C25 | H65 | 108.8° | 106.2° |
| C25 | N16 | H68 | 118.7° | 118.9° |
| N16 | C37 | C42 | 115.9° | 116.8° |
| C37 | N16 | H68 | 118.8° | 118.6° |
| C20 | C17 | C24 | 114.2° | 120.9° |
| C20 | C17 | H63 | 108.2° | 107.6° |
| C17 | C20 | H41 | 110.7° | 111.6° |
| C17 | C20 | H64 | 110.7° | 112.1° |
| C24 | C17 | H63 | 108.4° | 110.0° |
| C18 | C23 | C21 | 122.6° | 117.3° |
| C18 | C23 | C26 | 119.0° | 123.6° |
| C19 | C25 | C32 | 114.8° | 107.4° |
| C19 | C25 | H65 | 108.0° | 107.1° |
| C23 | C21 | C28 | 118.6° | 119.5° |
| C21 | C23 | C26 | 118.4° | 119.1° |
| C21 | C28 | C35 | 119.4° | 120.0° |
| C21 | C28 | H76 | 120.3° | 119.6° |
| C22 | C30 | C49 | 116.0° | 125.7° |
| C22 | C30 | H01 | 122.0° | 118.2° |
| C23 | C26 | C34 | 119.4° | 120.7° |
| C23 | C26 | H66 | 120.3° | 119.7° |
| C25 | C32 | C38 | 114.0° | 115.8° |
| C32 | C25 | H65 | 107.8° | 107.2° |
| C25 | C32 | H79 | 108.3° | 108.4° |
| C25 | C32 | H80 | 108.3° | 108.5° |
| C26 | C34 | C35 | 120.4° | 120.2° |
| C34 | C26 | H66 | 120.3° | 119.6° |
| C26 | C34 | H81 | 119.8° | 119.8° |
| C27 | C36 | C38 | 114.5° | 116.4° |
| C36 | C27 | H74 | 108.5° | 107.3° |
| C36 | C27 | H75 | 108.5° | 107.3° |
| C27 | C36 | H83 | 108.2° | 108.3° |
| C27 | C36 | H84 | 108.2° | 108.0° |
| C28 | C35 | C34 | 120.0° | 120.3° |
| C35 | C28 | H76 | 120.3° | 120.4° |
| C28 | C35 | H82 | 120.0° | 119.6° |
| C29 | C39 | C44 | 116.4° | 115.6° |
| C39 | C29 | H77 | 108.7° | 108.3° |
| C39 | C29 | H78 | 108.7° | 108.0° |
| C29 | C39 | H87 | 107.7° | 108.0° |
| C29 | C39 | H88 | 107.7° | 108.3° |
| C30 | C49 | C50 | 124.2° | 127.4° |
| C49 | C30 | H01 | 122.0° | 116.1° |
| C30 | C49 | H02 | 117.9° | 116.9° |
| C32 | C38 | C36 | 114.4° | 119.9° |
| C38 | C32 | H79 | 108.3° | 108.2° |
| C38 | C32 | H80 | 108.3° | 108.2° |
| C32 | C38 | H85 | 108.2° | 107.4° |
| C32 | C38 | H86 | 108.2° | 107.2° |
| C41 | C33 | C43 | 110.9° | 113.6° |
| C41 | C33 | H69 | 106.8° | 106.6° |
| C33 | C43 | C44 | 117.8° | 117.9° |
| C43 | C33 | H69 | 106.7° | 104.3° |
| C33 | C43 | H89 | 107.4° | 108.3° |
| C33 | C43 | H90 | 107.4° | 107.9° |
| C35 | C34 | H81 | 119.8° | 120.0° |
| C34 | C35 | H82 | 120.0° | 120.0° |
| C38 | C36 | H83 | 108.2° | 108.8° |
| C38 | C36 | H84 | 108.2° | 108.1° |
| C36 | C38 | H85 | 108.2° | 108.0° |
| C36 | C38 | H86 | 108.2° | 107.6° |
| C37 | C42 | C45 | 113.2° | 116.0° |
| C37 | C42 | H70 | 108.5° | 108.2° |
| C37 | C42 | H44 | 108.5° | 108.2° |
| C39 | C44 | C43 | 115.4° | 120.2° |
| C44 | C39 | H87 | 107.7° | 108.1° |
| C44 | C39 | H88 | 107.7° | 109.6° |
| C39 | C44 | H91 | 108.0° | 108.5° |
| C39 | C44 | H92 | 108.0° | 107.2° |
| C42 | C45 | C48 | 113.1° | 112.5° |
| C45 | C42 | H70 | 108.6° | 108.3° |
| C45 | C42 | H44 | 108.5° | 108.9° |
| C42 | C45 | H71 | 109.0° | 108.0° |
| C44 | C43 | H89 | 107.3° | 107.8° |
| C44 | C43 | H90 | 107.3° | 107.6° |
| C43 | C44 | H91 | 108.0° | 107.8° |
| C43 | C44 | H92 | 108.0° | 106.7° |
| C48 | C45 | H71 | 109.1° | 108.9° |
| C45 | C48 | H93 | 109.5° | 109.7° |
| C45 | C48 | H94 | 109.5° | 109.4° |
| C45 | C48 | H46 | 109.5° | 109.5° |
| C49 | C50 | C51 | 111.1° | 116.4° |
| C50 | C49 | H02 | 117.9° | 115.7° |
| C49 | C50 | H5 | 109.1° | 108.2° |
| C49 | C50 | H6 | 109.1° | 108.7° |
| C50 | C51 | C52 | 112.9° | 119.2° |
| C51 | C50 | H5 | 109.1° | 108.2° |
| C51 | C50 | H6 | 109.1° | 109.1° |
| C50 | C51 | H9 | 108.6° | 107.9° |
| C50 | C51 | H8 | 108.6° | 107.3° |
| C51 | C52 | C53 | 116.5° | 116.6° |
| C52 | C51 | H9 | 108.6° | 107.5° |
| C52 | C51 | H8 | 108.6° | 108.3° |
| C51 | C52 | H11 | 107.7° | 108.9° |
| C51 | C52 | H10 | 107.7° | 107.8° |
| C52 | C53 | C54 | 116.0° | 116.4° |
| C53 | C52 | H11 | 107.7° | 108.1° |
| C53 | C52 | H10 | 107.7° | 108.2° |
| C52 | C53 | H12 | 107.8° | 108.4° |
| C52 | C53 | H13 | 107.9° | 108.1° |
| C53 | C54 | C55 | 115.4° | 115.8° |
| C54 | C53 | H12 | 107.8° | 108.1° |
| C54 | C53 | H13 | 107.8° | 108.4° |
| C53 | C54 | H14 | 108.0° | 108.5° |
| C53 | C54 | H15 | 108.0° | 108.3° |
| C54 | C55 | C56 | 111.8° | 116.2° |
| C55 | C54 | H14 | 108.0° | 108.3° |
| C55 | C54 | H15 | 108.0° | 108.5° |
| C54 | C55 | H17 | 108.9° | 108.4° |
| C54 | C55 | H16 | 108.9° | 108.2° |
| C55 | C56 | C57 | 118.7° | 116.7° |
| C56 | C55 | H17 | 108.9° | 108.2° |
| C56 | C55 | H16 | 108.9° | 108.4° |
| C55 | C56 | H19 | 107.1° | 108.4° |
| C55 | C56 | H18 | 107.1° | 108.1° |
| C56 | C57 | C58 | 113.4° | 117.7° |
| C57 | C56 | H19 | 107.1° | 108.5° |
| C57 | C56 | H18 | 107.1° | 108.0° |
| C56 | C57 | H21 | 108.5° | 107.7° |
| C56 | C57 | H20 | 108.5° | 108.4° |
| C57 | C58 | C59 | 114.4° | 117.2° |
| C58 | C57 | H21 | 108.5° | 108.5° |
| C58 | C57 | H20 | 108.5° | 107.8° |
| C57 | C58 | H22 | 108.2° | 107.8° |
| C57 | C58 | H23 | 108.2° | 108.6° |
| C58 | C59 | C60 | 111.0° | 117.2° |
| C59 | C58 | H22 | 108.2° | 107.8° |
| C59 | C58 | H23 | 108.2° | 108.3° |
| C58 | C59 | H24 | 109.1° | 108.2° |
| C58 | C59 | H25 | 109.1° | 107.9° |
| C59 | C60 | C61 | 114.9° | 117.6° |
| C60 | C59 | H24 | 109.1° | 108.6° |
| C60 | C59 | H25 | 109.1° | 107.9° |
| C59 | C60 | H26 | 108.1° | 107.9° |
| C59 | C60 | H27 | 108.1° | 108.6° |
| C60 | C61 | C62 | 113.4° | 116.6° |
| C61 | C60 | H26 | 108.1° | 108.3° |
| C61 | C60 | H27 | 108.1° | 107.8° |
| C60 | C61 | H28 | 108.4° | 108.0° |
| C60 | C61 | H29 | 108.5° | 108.5° |
| C61 | C62 | C63 | 115.6° | 117.1° |
| C62 | C61 | H28 | 108.5° | 108.1° |
| C62 | C61 | H29 | 108.5° | 108.5° |
| C61 | C62 | H31 | 107.9° | 108.1° |
| C61 | C62 | H30 | 107.9° | 108.0° |
| C62 | C63 | C64 | 114.8° | 117.0° |
| C63 | C62 | H31 | 107.9° | 108.5° |
| C63 | C62 | H30 | 107.9° | 108.0° |
| C62 | C63 | H33 | 108.1° | 108.0° |
| C62 | C63 | H32 | 108.1° | 108.7° |
| C63 | C64 | C65 | 117.1° | 118.0° |
| C64 | C63 | H33 | 108.1° | 107.9° |
| C64 | C63 | H32 | 108.1° | 108.2° |
| C63 | C64 | H35 | 107.5° | 108.4° |
| C63 | C64 | H34 | 107.5° | 107.9° |
| C64 | C65 | C66 | 115.3° | 116.8° |
| C65 | C64 | H35 | 107.5° | 106.4° |
| C65 | C64 | H34 | 107.5° | 109.1° |
| C64 | C65 | H36 | 108.0° | 109.4° |
| C64 | C65 | H37 | 108.0° | 107.3° |
| C66 | C65 | H36 | 108.0° | 108.0° |
| C66 | C65 | H37 | 108.0° | 108.1° |
| C65 | C66 | H38 | 109.5° | 109.6° |
| C65 | C66 | H40 | 109.5° | 109.5° |
| C65 | C66 | H39 | 109.4° | 109.6° |
| H41 | C20 | H64 | 109.5° | 109.2° |
| H74 | C27 | H75 | 109.5° | 106.9° |
| H77 | C29 | H78 | 109.5° | 107.4° |
| H79 | C32 | H80 | 109.5° | 107.4° |
| H83 | C36 | H84 | 109.5° | 106.9° |
| H85 | C38 | H86 | 109.5° | 106.0° |
| H87 | C39 | H88 | 109.5° | 106.9° |
| H70 | C42 | H44 | 109.5° | 106.8° |
| H89 | C43 | H90 | 109.5° | 106.9° |
| H91 | C44 | H92 | 109.5° | 105.5° |
| H93 | C48 | H94 | 109.5° | 109.2° |
| H93 | C48 | H46 | 109.4° | 109.5° |
| H94 | C48 | H46 | 109.5° | 109.4° |
| H5 | C50 | H6 | 109.5° | 105.7° |
| H9 | C51 | H8 | 109.5° | 106.0° |
| H11 | C52 | H10 | 109.5° | 106.7° |
| H12 | C53 | H13 | 109.5° | 107.0° |
| H14 | C54 | H15 | 109.5° | 107.2° |
| H17 | C55 | H16 | 109.5° | 107.1° |
| H19 | C56 | H18 | 109.5° | 106.8° |
| H21 | C57 | H20 | 109.5° | 106.2° |
| H22 | C58 | H23 | 109.5° | 106.5° |
| H24 | C59 | H25 | 109.5° | 106.6° |
| H26 | C60 | H27 | 109.5° | 106.2° |
| H28 | C61 | H29 | 109.5° | 106.8° |
| H31 | C62 | H30 | 109.5° | 106.8° |
| H33 | C63 | H32 | 109.5° | 106.6° |
| H35 | C64 | H34 | 109.5° | 106.5° |
| H36 | C65 | H37 | 109.5° | 106.8° |
| H38 | C66 | H40 | 109.4° | 109.4° |
| H38 | C66 | H39 | 109.5° | 109.5° |
| H40 | C66 | H39 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C19 | N13 | O3 | 39.5° | 39.5° |
| C19 | O2 | FE | O3 | 19.2° | 41.6° |
| C19 | O2 | FE | O4 | 16.9° | 52.5° |
| C19 | O2 | FE | O5 | 156.8° | 177.5° |
| C19 | O2 | FE | O6 | 75.3° | 121.3° |
| C19 | O2 | FE | N12 | 110.1° | 119.3° |
| O2 | C19 | N13 | C25 | 143.9° | 168.2° |
| O2 | C19 | N13 | C27 | 174.4° | 128.9° |
| O2 | C19 | C25 | N16 | 15.8° | 32.2° |
| O2 | C19 | C25 | C32 | 107.1° | 98.5° |
| O2 | C19 | C25 | H65 | 132.7° | 146.6° |
| O2 | FE | O3 | N13 | 35.9° | 25.6° |
| O2 | FE | O3 | O4 | 179.2° | 138.7° |
| O2 | FE | O3 | O5 | 96.8° | 71.2° |
| O2 | FE | O3 | O6 | 88.7° | 18.8° |
| O2 | FE | O3 | N12 | 91.1° | 152.7° |
| O2 | FE | O4 | C21 | 63.0° | 113.5° |
| O2 | FE | O4 | O5 | 173.7° | 120.2° |
| O2 | FE | O4 | O6 | 91.9° | 53.1° |
| O2 | FE | O4 | N12 | 93.4° | 175.9° |
| O2 | FE | O5 | N14 | 49.0° | 57.2° |
| O2 | FE | O5 | O6 | 88.0° | 54.7° |
| O2 | FE | O5 | N12 | 91.7° | 156.2° |
| O2 | FE | O6 | C22 | 71.7° | 103.6° |
| O2 | FE | O6 | N12 | 97.1° | 146.5° |
| O2 | FE | N12 | C17 | 41.5° | 73.6° |
| O2 | FE | N12 | C18 | 138.0° | 129.8° |
| FE | O2 | C19 | N13 | 4.6° | 61.2° |
| FE | O2 | C19 | C25 | 148.1° | 106.5° |
| N13 | O3 | FE | O4 | 143.3° | 113.1° |
| N13 | O3 | FE | O5 | 60.9° | 96.7° |
| N13 | O3 | FE | O6 | 52.8° | 6.8° |
| N13 | O3 | FE | N12 | 127.0° | 178.3° |
| O3 | N13 | C19 | C27 | 134.9° | 168.4° |
| O3 | N13 | C19 | C25 | 176.6° | 128.7° |
| O3 | N13 | C27 | C36 | 133.7° | 164.7° |
| O3 | N13 | C27 | H74 | 13.2° | 42.2° |
| O3 | N13 | C27 | H75 | 105.7° | 73.0° |
| O3 | FE | O4 | C21 | 60.8° | 29.3° |
| O3 | FE | O4 | O5 | 176.0° | 155.6° |
| O3 | FE | O4 | O6 | 94.1° | 137.3° |
| O3 | FE | O4 | N12 | 91.2° | 91.7° |
| O3 | FE | O5 | N14 | 47.1° | 124.4° |
| O3 | FE | O5 | O6 | 8.2° | 121.9° |
| O3 | FE | O5 | N12 | 172.1° | 89.0° |
| O3 | FE | O6 | C22 | 152.1° | 125.6° |
| O3 | FE | O6 | N12 | 177.5° | 168.5° |
| O3 | FE | N12 | C17 | 122.0° | 146.4° |
| O3 | FE | N12 | C18 | 57.5° | 57.0° |
| FE | O3 | N13 | C19 | 50.7° | 4.0° |
| FE | O3 | N13 | C27 | 168.8° | 173.7° |
| C21 | O4 | FE | O5 | 123.2° | 126.3° |
| C21 | O4 | FE | O6 | 154.9° | 166.6° |
| C21 | O4 | FE | N12 | 30.4° | 62.4° |
| O4 | C21 | C23 | C18 | 23.8° | 2.9° |
| O4 | C21 | C23 | C28 | 178.7° | 175.3° |
| O4 | C21 | C23 | C26 | 155.4° | 177.5° |
| O4 | C21 | C28 | C35 | 159.0° | 177.6° |
| O4 | C21 | C28 | H76 | 20.9° | 3.8° |
| O4 | FE | O5 | N14 | 128.8° | 88.8° |
| O4 | FE | O5 | O6 | 89.8° | 91.4° |
| O4 | FE | O5 | N12 | 90.5° | 57.8° |
| O4 | FE | O6 | C22 | 128.7° | 114.5° |
| O4 | FE | O6 | N12 | 103.2° | 71.6° |
| O4 | FE | N12 | C17 | 158.8° | 112.1° |
| O4 | FE | N12 | C18 | 21.7° | 44.4° |
| FE | O4 | C21 | C23 | 36.5° | 54.4° |
| FE | O4 | C21 | C28 | 144.8° | 130.4° |
| O5 | N14 | C22 | O6 | 20.0° | 3.4° |
| N14 | O5 | FE | O6 | 39.0° | 2.5° |
| N14 | O5 | FE | N12 | 140.7° | 146.6° |
| O5 | N14 | C22 | C29 | 177.5° | 178.1° |
| O5 | N14 | C22 | C30 | 160.7° | 178.1° |
| O5 | N14 | C29 | C39 | 25.6° | 78.1° |
| O5 | N14 | C29 | H77 | 146.1° | 159.9° |
| O5 | N14 | C29 | H78 | 94.9° | 42.9° |
| O5 | FE | O6 | C22 | 28.5° | 0.4° |
| O5 | FE | O6 | N12 | 3.0° | 43.3° |
| O5 | FE | N12 | C17 | 58.6° | 14.0° |
| O5 | FE | N12 | C18 | 121.9° | 170.6° |
| FE | O5 | N14 | C22 | 41.8° | 4.3° |
| FE | O5 | N14 | C29 | 136.3° | 174.2° |
| C22 | O6 | FE | N12 | 25.5° | 42.8° |
| O6 | C22 | N14 | C30 | 179.3° | 178.5° |
| O6 | C22 | N14 | C29 | 157.5° | 174.7° |
| O6 | C22 | C30 | C49 | 0.2° | 4.4° |
| O6 | C22 | C30 | H01 | 179.8° | 174.9° |
| O6 | FE | N12 | C17 | 55.6° | 24.8° |
| O6 | FE | N12 | C18 | 124.9° | 131.8° |
| FE | O6 | C22 | N14 | 13.1° | 1.4° |
| FE | O6 | C22 | C30 | 166.1° | 179.9° |
| O7 | C18 | N12 | C17 | 17.3° | 32.2° |
| O7 | C18 | N12 | C23 | 178.3° | 165.8° |
| O7 | C18 | N12 | FE | 162.3° | 166.7° |
| C18 | O7 | C20 | C17 | 8.9° | 14.4° |
| O7 | C18 | C23 | C21 | 165.1° | 159.3° |
| O7 | C18 | C23 | C26 | 15.7° | 21.1° |
| C18 | O7 | C20 | H41 | 110.2° | 104.3° |
| C18 | O7 | C20 | H64 | 128.1° | 133.9° |
| O7 | C20 | C17 | N12 | 17.5° | 31.2° |
| C20 | O7 | C18 | N12 | 5.0° | 11.2° |
| O7 | C20 | C17 | H41 | 119.2° | 118.2° |
| O7 | C20 | C17 | H64 | 119.2° | 119.0° |
| O7 | C20 | C17 | C24 | 142.2° | 84.1° |
| C20 | O7 | C18 | C23 | 173.4° | 155.8° |
| O7 | C20 | C17 | H63 | 97.1° | 148.5° |
| O7 | C20 | H41 | H64 | 122.4° | 123.0° |
| O8 | C24 | C17 | N12 | 106.2° | 131.9° |
| O8 | C24 | N15 | C17 | 179.6° | 177.8° |
| O8 | C24 | N15 | C33 | 67.7° | 9.9° |
| O8 | C24 | C17 | C20 | 10.8° | 18.9° |
| O8 | C24 | C17 | H63 | 131.4° | 107.5° |
| O8 | C24 | N15 | H67 | 112.3° | 167.7° |
| O9 | C41 | O11 | C33 | 179.8° | 176.8° |
| O9 | C41 | C33 | N15 | 13.9° | 50.6° |
| O9 | C41 | C33 | C43 | 140.4° | 178.3° |
| C41 | O9 | C45 | C42 | 138.8° | 158.7° |
| C41 | O9 | C45 | C48 | 98.7° | 78.1° |
| O9 | C41 | C33 | H69 | 103.7° | 67.5° |
| C41 | O9 | C45 | H71 | 20.8° | 40.5° |
| C45 | O9 | C41 | O11 | 41.0° | 0.0° |
| C45 | O9 | C41 | C33 | 138.8° | 177.0° |
| O9 | C45 | C42 | C37 | 71.1° | 120.3° |
| O9 | C45 | C42 | C48 | 119.9° | 120.9° |
| O9 | C45 | C42 | H71 | 118.5° | 118.9° |
| O9 | C45 | C48 | H71 | 119.8° | 118.8° |
| O9 | C45 | C42 | H70 | 49.5° | 1.6° |
| O9 | C45 | C42 | H44 | 168.4° | 117.4° |
| O9 | C45 | C48 | H93 | 180.0° | 179.4° |
| O9 | C45 | C48 | H94 | 60.0° | 60.8° |
| O9 | C45 | C48 | H46 | 60.0° | 59.1° |
| O10 | C37 | N16 | C25 | 2.5° | 43.8° |
| O10 | C37 | N16 | C42 | 179.5° | 164.1° |
| O10 | C37 | C42 | C45 | 124.4° | 122.3° |
| O10 | C37 | C42 | H70 | 115.0° | 115.7° |
| O10 | C37 | C42 | H44 | 3.8° | 0.4° |
| O10 | C37 | N16 | H68 | 177.5° | 133.9° |
| O11 | C41 | C33 | N15 | 166.3° | 132.3° |
| O11 | C41 | C33 | C43 | 39.8° | 4.7° |
| O11 | C41 | C33 | H69 | 76.1° | 109.5° |
| C17 | N12 | C18 | FE | 179.6° | 161.0° |
| N12 | C17 | C24 | N15 | 74.2° | 50.2° |
| N12 | C17 | C20 | C24 | 124.8° | 115.3° |
| N12 | C17 | C20 | H63 | 114.5° | 117.2° |
| N12 | C17 | C24 | H63 | 122.4° | 120.6° |
| C17 | N12 | C18 | C23 | 160.9° | 133.6° |
| N12 | C17 | C20 | H41 | 101.7° | 87.0° |
| N12 | C17 | C20 | H64 | 136.6° | 150.2° |
| C18 | N12 | C17 | C20 | 20.6° | 37.4° |
| C18 | N12 | C17 | C24 | 144.6° | 89.0° |
| N12 | C18 | C23 | C21 | 16.6° | 6.5° |
| N12 | C18 | C23 | C26 | 162.5° | 173.1° |
| C18 | N12 | C17 | H63 | 93.3° | 151.6° |
| FE | N12 | C17 | C20 | 158.9° | 161.1° |
| FE | N12 | C17 | C24 | 34.9° | 72.5° |
| FE | N12 | C18 | C23 | 19.5° | 27.4° |
| FE | N12 | C17 | H63 | 87.1° | 46.9° |
| N13 | C19 | C25 | N16 | 160.7° | 135.8° |
| N13 | C19 | C25 | C32 | 37.9° | 93.4° |
| C19 | N13 | C27 | C36 | 90.4° | 26.5° |
| N13 | C19 | C25 | H65 | 82.3° | 21.5° |
| C19 | N13 | C27 | H74 | 149.0° | 148.9° |
| C19 | N13 | C27 | H75 | 30.1° | 95.8° |
| C27 | N13 | C19 | C25 | 41.7° | 62.9° |
| N13 | C27 | C36 | H74 | 120.5° | 122.8° |
| N13 | C27 | C36 | H75 | 120.6° | 122.6° |
| N13 | C27 | C36 | C38 | 68.0° | 43.0° |
| N13 | C27 | H74 | H75 | 118.3° | 115.9° |
| N13 | C27 | C36 | H83 | 52.8° | 79.9° |
| N13 | C27 | C36 | H84 | 171.3° | 164.7° |
| C22 | N14 | C29 | C39 | 157.0° | 100.0° |
| N14 | C22 | C30 | C49 | 179.2° | 173.9° |
| C22 | N14 | C29 | H77 | 36.5° | 21.9° |
| C22 | N14 | C29 | H78 | 82.5° | 138.9° |
| N14 | C22 | C30 | H01 | 0.8° | 6.7° |
| C29 | N14 | C22 | C30 | 21.8° | 3.8° |
| N14 | C29 | C39 | H77 | 120.5° | 122.5° |
| N14 | C29 | C39 | H78 | 120.5° | 121.4° |
| N14 | C29 | C39 | C44 | 82.3° | 58.9° |
| N14 | C29 | H77 | H78 | 118.5° | 117.9° |
| N14 | C29 | C39 | H87 | 38.7° | 180.0° |
| N14 | C29 | C39 | H88 | 156.6° | 64.5° |
| C24 | N15 | C33 | H67 | 180.0° | 177.7° |
| N15 | C24 | C17 | C20 | 168.8° | 163.3° |
| C24 | N15 | C33 | C41 | 126.5° | 167.7° |
| C24 | N15 | C33 | C43 | 107.9° | 63.5° |
| N15 | C24 | C17 | H63 | 48.2° | 70.3° |
| C24 | N15 | C33 | H69 | 9.5° | 50.3° |
| C33 | N15 | C24 | C17 | 111.9° | 167.8° |
| N15 | C33 | C41 | C43 | 126.5° | 127.6° |
| N15 | C33 | C41 | H69 | 117.6° | 118.1° |
| N15 | C33 | C43 | H69 | 118.0° | 116.1° |
| N15 | C33 | C43 | C44 | 8.9° | 64.5° |
| N15 | C33 | C43 | H89 | 130.1° | 58.2° |
| N15 | C33 | C43 | H90 | 112.2° | 173.5° |
| C25 | N16 | C37 | H68 | 180.0° | 177.7° |
| N16 | C25 | C19 | C32 | 122.8° | 130.8° |
| N16 | C25 | C19 | H65 | 117.0° | 114.3° |
| N16 | C25 | C32 | H65 | 118.8° | 120.9° |
| N16 | C25 | C32 | C38 | 154.4° | 171.4° |
| C25 | N16 | C37 | C42 | 177.0° | 120.3° |
| N16 | C25 | C32 | H79 | 33.7° | 49.7° |
| N16 | C25 | C32 | H80 | 84.9° | 66.7° |
| C37 | N16 | C25 | C19 | 163.7° | 136.2° |
| C37 | N16 | C25 | C32 | 70.8° | 100.0° |
| N16 | C37 | C42 | C45 | 56.1° | 73.1° |
| C37 | N16 | C25 | H65 | 47.3° | 21.3° |
| N16 | C37 | C42 | H70 | 64.5° | 48.8° |
| N16 | C37 | C42 | H44 | 176.6° | 164.2° |
| C20 | C17 | C24 | H63 | 120.6° | 126.4° |
| C17 | C20 | H41 | H64 | 122.3° | 124.5° |
| C24 | C17 | C20 | H41 | 23.0° | 157.6° |
| C24 | C17 | C20 | H64 | 98.6° | 34.8° |
| C17 | C24 | N15 | H67 | 68.1° | 14.6° |
| C18 | C23 | C21 | C26 | 179.2° | 179.6° |
| C18 | C23 | C21 | C28 | 157.5° | 178.2° |
| C18 | C23 | C26 | C34 | 165.2° | 179.5° |
| C18 | C23 | C26 | H66 | 14.8° | 0.7° |
| C19 | C25 | C32 | H65 | 120.3° | 114.8° |
| C19 | C25 | C32 | C38 | 84.7° | 47.1° |
| C19 | C25 | C32 | H79 | 154.7° | 74.6° |
| C19 | C25 | C32 | H80 | 36.0° | 169.0° |
| C19 | C25 | N16 | H68 | 16.4° | 46.1° |
| C21 | C23 | C26 | C34 | 15.6° | 0.9° |
| C23 | C21 | C28 | C35 | 19.7° | 2.4° |
| C21 | C23 | C26 | H66 | 164.4° | 178.8° |
| C23 | C21 | C28 | H76 | 160.3° | 178.9° |
| C28 | C21 | C23 | C26 | 23.3° | 2.2° |
| C21 | C28 | C35 | H76 | 180.0° | 178.6° |
| C21 | C28 | C35 | C34 | 8.3° | 1.3° |
| C21 | C28 | C35 | H82 | 171.7° | 178.5° |
| C22 | C30 | C49 | H01 | 180.0° | 179.4° |
| C22 | C30 | C49 | C50 | 179.8° | 178.5° |
| C22 | C30 | C49 | H02 | 0.2° | 1.9° |
| C23 | C26 | C34 | H66 | 180.0° | 179.8° |
| C23 | C26 | C34 | C35 | 4.2° | 0.2° |
| C23 | C26 | C34 | H81 | 175.8° | 179.7° |
| C25 | C32 | C38 | H79 | 120.7° | 121.9° |
| C25 | C32 | C38 | H80 | 120.7° | 122.0° |
| C25 | C32 | C38 | C36 | 69.5° | 30.0° |
| C25 | C32 | H79 | H80 | 118.0° | 117.1° |
| C25 | C32 | C38 | H85 | 51.2° | 93.6° |
| C25 | C32 | C38 | H86 | 169.8° | 152.9° |
| C32 | C25 | N16 | H68 | 109.2° | 77.6° |
| C26 | C34 | C35 | C28 | 0.5° | 0.0° |
| C26 | C34 | C35 | H81 | 180.0° | 179.8° |
| C26 | C34 | C35 | H82 | 179.5° | 179.8° |
| C27 | C36 | C38 | C32 | 52.5° | 72.4° |
| C27 | C36 | C38 | H83 | 120.8° | 122.6° |
| C27 | C36 | C38 | H84 | 120.7° | 121.7° |
| C36 | C27 | H74 | H75 | 118.3° | 114.9° |
| C27 | C36 | H83 | H84 | 117.7° | 116.1° |
| C27 | C36 | C38 | H85 | 68.2° | 50.8° |
| C27 | C36 | C38 | H86 | 173.3° | 164.9° |
| C28 | C35 | C34 | H82 | 180.0° | 179.8° |
| C28 | C35 | C34 | H81 | 179.5° | 179.9° |
| C29 | C39 | C44 | H87 | 121.0° | 121.1° |
| C29 | C39 | C44 | H88 | 121.0° | 122.7° |
| C29 | C39 | C44 | C43 | 67.5° | 119.7° |
| C39 | C29 | H77 | H78 | 118.6° | 116.5° |
| C29 | C39 | H87 | H88 | 116.8° | 116.4° |
| C29 | C39 | C44 | H91 | 53.4° | 4.9° |
| C29 | C39 | C44 | H92 | 171.6° | 118.4° |
| C30 | C49 | C50 | H02 | 180.0° | 179.6° |
| C30 | C49 | C50 | C51 | 65.6° | 139.3° |
| C30 | C49 | C50 | H5 | 54.7° | 98.7° |
| C30 | C49 | C50 | H6 | 174.2° | 15.7° |
| C32 | C38 | C36 | H85 | 120.7° | 123.3° |
| C32 | C38 | C36 | H86 | 120.7° | 122.7° |
| C38 | C32 | C25 | H65 | 35.6° | 67.7° |
| C38 | C32 | H79 | H80 | 118.0° | 116.6° |
| C32 | C38 | C36 | H83 | 68.2° | 50.2° |
| C32 | C38 | C36 | H84 | 173.3° | 165.9° |
| C32 | C38 | H85 | H86 | 117.7° | 114.3° |
| C41 | C33 | C43 | H69 | 116.0° | 115.6° |
| C41 | C33 | C43 | C44 | 117.1° | 63.9° |
| C41 | C33 | C43 | H89 | 4.1° | 173.5° |
| C41 | C33 | C43 | H90 | 121.7° | 58.1° |
| C41 | C33 | N15 | H67 | 53.5° | 10.0° |
| C33 | C43 | C44 | C39 | 94.7° | 74.2° |
| C33 | C43 | C44 | H89 | 121.2° | 122.9° |
| C33 | C43 | C44 | H90 | 121.2° | 122.1° |
| C33 | C43 | H89 | H90 | 116.3° | 116.0° |
| C33 | C43 | C44 | H91 | 26.2° | 50.7° |
| C33 | C43 | C44 | H92 | 144.4° | 163.7° |
| C43 | C33 | N15 | H67 | 72.1° | 118.9° |
| C35 | C34 | C26 | H66 | 175.7° | 179.9° |
| C34 | C35 | C28 | H76 | 171.7° | 180.0° |
| C38 | C36 | C27 | H74 | 171.5° | 165.8° |
| C38 | C36 | C27 | H75 | 52.6° | 79.6° |
| C36 | C38 | C32 | H79 | 169.8° | 151.8° |
| C36 | C38 | C32 | H80 | 51.1° | 92.1° |
| C38 | C36 | H83 | H84 | 117.7° | 116.5° |
| C36 | C38 | H85 | H86 | 117.8° | 115.1° |
| C37 | C42 | C45 | H70 | 120.5° | 121.9° |
| C37 | C42 | C45 | H44 | 120.6° | 122.3° |
| C37 | C42 | C45 | C48 | 48.9° | 118.8° |
| C37 | C42 | H70 | H44 | 118.3° | 116.3° |
| C37 | C42 | C45 | H71 | 170.5° | 1.4° |
| C42 | C37 | N16 | H68 | 3.0° | 62.1° |
| C39 | C44 | C43 | H91 | 120.9° | 124.9° |
| C39 | C44 | C43 | H92 | 120.9° | 122.1° |
| C44 | C39 | C29 | H77 | 157.2° | 63.6° |
| C44 | C39 | C29 | H78 | 38.1° | 179.7° |
| C44 | C39 | H87 | H88 | 116.9° | 117.9° |
| C39 | C44 | C43 | H89 | 26.5° | 48.7° |
| C39 | C44 | C43 | H90 | 144.1° | 163.6° |
| C39 | C44 | H91 | H92 | 117.3° | 114.6° |
| C42 | C45 | C48 | H71 | 121.5° | 119.7° |
| C45 | C42 | H70 | H44 | 118.3° | 117.1° |
| C42 | C45 | C48 | H93 | 61.3° | 57.9° |
| C42 | C45 | C48 | H94 | 58.7° | 177.7° |
| C42 | C45 | C48 | H46 | 178.7° | 62.3° |
| C44 | C43 | C33 | H69 | 126.9° | 179.5° |
| C43 | C44 | C39 | H87 | 171.5° | 119.2° |
| C43 | C44 | C39 | H88 | 53.5° | 3.0° |
| C44 | C43 | H89 | H90 | 116.2° | 115.4° |
| C43 | C44 | H91 | H92 | 117.3° | 113.8° |
| C48 | C45 | C42 | H70 | 169.4° | 119.3° |
| C48 | C45 | C42 | H44 | 71.7° | 3.5° |
| C45 | C48 | H93 | H94 | 120.0° | 119.9° |
| C45 | C48 | H93 | H46 | 120.0° | 120.3° |
| C45 | C48 | H94 | H46 | 120.0° | 120.0° |
| C49 | C50 | C51 | H5 | 120.2° | 122.0° |
| C49 | C50 | C51 | H6 | 120.2° | 123.4° |
| C49 | C50 | C51 | C52 | 73.2° | 106.0° |
| C50 | C49 | C30 | H01 | 0.2° | 2.1° |
| C49 | C50 | H5 | H6 | 119.3° | 116.4° |
| C49 | C50 | C51 | H9 | 47.3° | 16.8° |
| C49 | C50 | C51 | H8 | 166.3° | 130.6° |
| C50 | C51 | C52 | H9 | 120.5° | 123.0° |
| C50 | C51 | C52 | H8 | 120.5° | 122.9° |
| C50 | C51 | C52 | C53 | 115.1° | 120.4° |
| C51 | C50 | C49 | H02 | 114.4° | 41.1° |
| C51 | C50 | H5 | H6 | 119.3° | 116.7° |
| C50 | C51 | H9 | H8 | 118.4° | 114.7° |
| C50 | C51 | C52 | H11 | 5.9° | 2.3° |
| C50 | C51 | C52 | H10 | 123.9° | 117.7° |
| C51 | C52 | C53 | H11 | 121.0° | 123.1° |
| C51 | C52 | C53 | H10 | 121.0° | 121.7° |
| C51 | C52 | C53 | C54 | 54.6° | 173.6° |
| C52 | C51 | C50 | H5 | 166.6° | 131.9° |
| C52 | C51 | C50 | H6 | 47.0° | 17.4° |
| C52 | C51 | H9 | H8 | 118.4° | 115.6° |
| C51 | C52 | H11 | H10 | 116.8° | 116.2° |
| C51 | C52 | C53 | H12 | 175.5° | 51.6° |
| C51 | C52 | C53 | H13 | 66.3° | 64.1° |
| C52 | C53 | C54 | H12 | 120.9° | 122.2° |
| C52 | C53 | C54 | H13 | 121.0° | 122.1° |
| C52 | C53 | C54 | C55 | 168.8° | 175.2° |
| C53 | C52 | C51 | H9 | 124.4° | 116.6° |
| C53 | C52 | C51 | H8 | 5.4° | 2.6° |
| C53 | C52 | H11 | H10 | 116.8° | 116.2° |
| C52 | C53 | H12 | H13 | 117.1° | 116.4° |
| C52 | C53 | C54 | H14 | 70.3° | 53.3° |
| C52 | C53 | C54 | H15 | 48.0° | 62.8° |
| C53 | C54 | C55 | H14 | 120.9° | 122.0° |
| C53 | C54 | C55 | H15 | 120.9° | 121.9° |
| C53 | C54 | C55 | C56 | 160.7° | 176.3° |
| C54 | C53 | C52 | H11 | 66.4° | 63.3° |
| C54 | C53 | C52 | H10 | 175.6° | 51.9° |
| C54 | C53 | H12 | H13 | 117.0° | 116.6° |
| C53 | C54 | H14 | H15 | 117.3° | 116.7° |
| C53 | C54 | C55 | H17 | 78.9° | 54.3° |
| C53 | C54 | C55 | H16 | 40.4° | 61.6° |
| C54 | C55 | C56 | H17 | 120.3° | 122.1° |
| C54 | C55 | C56 | H16 | 120.3° | 122.0° |
| C54 | C55 | C56 | C57 | 164.9° | 176.7° |
| C55 | C54 | C53 | H12 | 47.9° | 62.5° |
| C55 | C54 | C53 | H13 | 70.2° | 53.1° |
| C55 | C54 | H14 | H15 | 117.3° | 116.9° |
| C54 | C55 | H17 | H16 | 118.9° | 116.6° |
| C54 | C55 | C56 | H19 | 73.8° | 53.8° |
| C54 | C55 | C56 | H18 | 43.6° | 61.5° |
| C55 | C56 | C57 | H19 | 121.3° | 122.7° |
| C55 | C56 | C57 | H18 | 121.3° | 121.9° |
| C55 | C56 | C57 | C58 | 178.0° | 90.1° |
| C56 | C55 | C54 | H14 | 39.8° | 61.7° |
| C56 | C55 | C54 | H15 | 78.4° | 54.4° |
| C56 | C55 | H17 | H16 | 119.0° | 116.6° |
| C55 | C56 | H19 | H18 | 115.8° | 116.2° |
| C55 | C56 | C57 | H21 | 61.4° | 146.9° |
| C55 | C56 | C57 | H20 | 57.5° | 32.5° |
| C56 | C57 | C58 | H21 | 120.6° | 122.6° |
| C56 | C57 | C58 | H20 | 120.6° | 122.8° |
| C56 | C57 | C58 | C59 | 162.5° | 108.9° |
| C57 | C56 | C55 | H17 | 44.5° | 61.2° |
| C57 | C56 | C55 | H16 | 74.8° | 54.6° |
| C57 | C56 | H19 | H18 | 115.8° | 116.2° |
| C56 | C57 | H21 | H20 | 118.2° | 115.9° |
| C56 | C57 | C58 | H22 | 76.7° | 129.3° |
| C56 | C57 | C58 | H23 | 41.8° | 14.2° |
| C57 | C58 | C59 | H22 | 120.7° | 121.8° |
| C57 | C58 | C59 | H23 | 120.7° | 123.3° |
| C57 | C58 | C59 | C60 | 131.8° | 168.1° |
| C58 | C57 | C56 | H19 | 56.7° | 32.7° |
| C58 | C57 | C56 | H18 | 60.7° | 148.0° |
| C58 | C57 | H21 | H20 | 118.2° | 115.7° |
| C57 | C58 | H22 | H23 | 117.7° | 116.5° |
| C57 | C58 | C59 | H24 | 11.6° | 45.0° |
| C57 | C58 | C59 | H25 | 107.9° | 70.0° |
| C58 | C59 | C60 | H24 | 120.2° | 122.9° |
| C58 | C59 | C60 | H25 | 120.2° | 122.0° |
| C58 | C59 | C60 | C61 | 176.4° | 106.4° |
| C59 | C58 | C57 | H21 | 41.9° | 13.7° |
| C59 | C58 | C57 | H20 | 76.9° | 128.3° |
| C59 | C58 | H22 | H23 | 117.8° | 116.1° |
| C58 | C59 | H24 | H25 | 119.3° | 115.8° |
| C58 | C59 | C60 | H26 | 55.6° | 130.9° |
| C58 | C59 | C60 | H27 | 62.8° | 16.2° |
| C59 | C60 | C61 | H26 | 120.8° | 122.5° |
| C59 | C60 | C61 | H27 | 120.8° | 123.0° |
| C59 | C60 | C61 | C62 | 167.9° | 86.1° |
| C60 | C59 | C58 | H22 | 107.4° | 70.1° |
| C60 | C59 | C58 | H23 | 11.1° | 44.8° |
| C60 | C59 | H24 | H25 | 119.3° | 116.0° |
| C59 | C60 | H26 | H27 | 117.5° | 116.2° |
| C59 | C60 | C61 | H28 | 47.4° | 152.0° |
| C59 | C60 | C61 | H29 | 71.5° | 36.6° |
| C60 | C61 | C62 | H28 | 120.6° | 121.8° |
| C60 | C61 | C62 | H29 | 120.6° | 122.7° |
| C60 | C61 | C62 | C63 | 72.7° | 168.2° |
| C61 | C60 | C59 | H24 | 63.4° | 16.5° |
| C61 | C60 | C59 | H25 | 56.2° | 131.7° |
| C61 | C60 | H26 | H27 | 117.5° | 115.5° |
| C60 | C61 | H28 | H29 | 118.2° | 116.5° |
| C60 | C61 | C62 | H31 | 166.4° | 45.4° |
| C60 | C61 | C62 | H30 | 48.2° | 69.8° |
| C61 | C62 | C63 | H31 | 120.9° | 122.6° |
| C61 | C62 | C63 | H30 | 120.9° | 122.0° |
| C61 | C62 | C63 | C64 | 70.8° | 152.5° |
| C62 | C61 | C60 | H26 | 71.3° | 36.4° |
| C62 | C61 | C60 | H27 | 47.1° | 150.9° |
| C62 | C61 | H28 | H29 | 118.2° | 116.5° |
| C61 | C62 | H31 | H30 | 117.2° | 115.9° |
| C61 | C62 | C63 | H33 | 168.4° | 85.7° |
| C61 | C62 | C63 | H32 | 49.9° | 29.6° |
| C62 | C63 | C64 | H33 | 120.8° | 121.9° |
| C62 | C63 | C64 | H32 | 120.8° | 123.1° |
| C62 | C63 | C64 | C65 | 115.6° | 85.4° |
| C63 | C62 | C61 | H28 | 47.9° | 70.0° |
| C63 | C62 | C61 | H29 | 166.8° | 45.4° |
| C63 | C62 | H31 | H30 | 117.2° | 116.1° |
| C62 | C63 | H33 | H32 | 117.6° | 116.6° |
| C62 | C63 | C64 | H35 | 5.4° | 35.5° |
| C62 | C63 | C64 | H34 | 123.3° | 150.5° |
| C63 | C64 | C65 | H35 | 121.1° | 122.0° |
| C63 | C64 | C65 | H34 | 121.1° | 123.5° |
| C63 | C64 | C65 | C66 | 75.8° | 116.6° |
| C64 | C63 | C62 | H31 | 50.0° | 29.9° |
| C64 | C63 | C62 | H30 | 168.2° | 85.5° |
| C64 | C63 | H33 | H32 | 117.5° | 116.0° |
| C63 | C64 | H35 | H34 | 116.5° | 115.9° |
| C63 | C64 | C65 | H36 | 163.4° | 6.5° |
| C63 | C64 | C65 | H37 | 45.1° | 122.1° |
| C64 | C65 | C66 | H36 | 120.8° | 123.8° |
| C64 | C65 | C66 | H37 | 120.9° | 121.0° |
| C65 | C64 | C63 | H33 | 123.6° | 152.7° |
| C65 | C64 | C63 | H32 | 5.2° | 37.7° |
| C65 | C64 | H35 | H34 | 116.5° | 116.3° |
| C64 | C65 | H36 | H37 | 117.4° | 115.8° |
| C64 | C65 | C66 | H38 | 180.0° | 178.7° |
| C64 | C65 | C66 | H40 | 60.0° | 61.3° |
| C64 | C65 | C66 | H39 | 60.0° | 58.6° |
| C66 | C65 | C64 | H35 | 45.3° | 121.5° |
| C66 | C65 | C64 | H34 | 163.1° | 7.0° |
| C66 | C65 | H36 | H37 | 117.4° | 116.0° |
| C65 | C66 | H38 | H40 | 120.0° | 120.0° |
| C65 | C66 | H38 | H39 | 120.0° | 120.2° |
| C65 | C66 | H40 | H39 | 120.0° | 120.1° |
| H63 | C17 | C20 | H41 | 143.7° | 30.2° |
| H63 | C17 | C20 | H64 | 22.1° | 92.6° |
| H65 | C25 | C32 | H79 | 85.0° | 170.5° |
| H65 | C25 | C32 | H80 | 156.3° | 54.2° |
| H65 | C25 | N16 | H68 | 132.8° | 161.0° |
| H66 | C26 | C34 | H81 | 4.3° | 0.1° |
| H74 | C27 | C36 | H83 | 67.8° | 42.9° |
| H74 | C27 | C36 | H84 | 50.7° | 72.5° |
| H75 | C27 | C36 | H83 | 173.4° | 157.5° |
| H75 | C27 | C36 | H84 | 68.2° | 42.1° |
| H76 | C28 | C35 | H82 | 8.3° | 0.1° |
| H77 | C29 | C39 | H87 | 81.8° | 57.5° |
| H77 | C29 | C39 | H88 | 36.2° | 172.9° |
| H78 | C29 | C39 | H87 | 159.1° | 58.5° |
| H78 | C29 | C39 | H88 | 82.9° | 56.9° |
| H01 | C30 | C49 | H02 | 179.8° | 177.5° |
| H79 | C32 | C38 | H85 | 69.4° | 28.3° |
| H79 | C32 | C38 | H86 | 49.1° | 85.3° |
| H80 | C32 | C38 | H85 | 171.9° | 144.4° |
| H80 | C32 | C38 | H86 | 69.6° | 30.8° |
| H69 | C33 | C43 | H89 | 111.9° | 57.9° |
| H69 | C33 | C43 | H90 | 5.7° | 57.5° |
| H69 | C33 | N15 | H67 | 170.5° | 127.3° |
| H81 | C34 | C35 | H82 | 0.5° | 0.0° |
| H83 | C36 | C38 | H85 | 171.1° | 173.4° |
| H83 | C36 | C38 | H86 | 52.5° | 72.5° |
| H84 | C36 | C38 | H85 | 52.6° | 70.9° |
| H84 | C36 | C38 | H86 | 66.0° | 43.2° |
| H87 | C39 | C44 | H91 | 67.6° | 116.2° |
| H87 | C39 | C44 | H92 | 50.6° | 2.7° |
| H88 | C39 | C44 | H91 | 174.4° | 127.6° |
| H88 | C39 | C44 | H92 | 67.4° | 118.8° |
| H70 | C42 | C45 | H71 | 69.0° | 120.5° |
| H44 | C42 | C45 | H71 | 49.9° | 123.7° |
| H89 | C43 | C44 | H91 | 147.4° | 173.6° |
| H89 | C43 | C44 | H92 | 94.4° | 73.4° |
| H90 | C43 | C44 | H91 | 95.0° | 71.4° |
| H90 | C43 | C44 | H92 | 23.2° | 41.5° |
| H71 | C45 | C48 | H93 | 60.2° | 61.8° |
| H71 | C45 | C48 | H94 | 179.8° | 58.0° |
| H71 | C45 | C48 | H46 | 59.8° | 177.9° |
| H93 | C48 | H94 | H46 | 120.0° | 119.9° |
| H02 | C49 | C50 | H5 | 125.3° | 80.9° |
| H02 | C49 | C50 | H6 | 5.8° | 164.7° |
| H5 | C50 | C51 | H9 | 72.9° | 105.3° |
| H5 | C50 | C51 | H8 | 46.1° | 8.5° |
| H6 | C50 | C51 | H9 | 167.6° | 140.2° |
| H6 | C50 | C51 | H8 | 73.5° | 106.0° |
| H9 | C51 | C52 | H11 | 114.6° | 120.7° |
| H9 | C51 | C52 | H10 | 3.4° | 5.3° |
| H8 | C51 | C52 | H11 | 126.4° | 125.2° |
| H8 | C51 | C52 | H10 | 115.6° | 119.4° |
| H11 | C52 | C53 | H12 | 54.5° | 174.6° |
| H11 | C52 | C53 | H13 | 172.6° | 59.0° |
| H10 | C52 | C53 | H12 | 63.5° | 70.2° |
| H10 | C52 | C53 | H13 | 54.6° | 174.2° |
| H12 | C53 | C54 | H14 | 168.7° | 175.5° |
| H12 | C53 | C54 | H15 | 73.0° | 59.5° |
| H13 | C53 | C54 | H14 | 50.7° | 68.8° |
| H13 | C53 | C54 | H15 | 168.9° | 175.1° |
| H14 | C54 | C55 | H17 | 160.2° | 176.3° |
| H14 | C54 | C55 | H16 | 80.5° | 60.4° |
| H15 | C54 | C55 | H17 | 41.9° | 67.7° |
| H15 | C54 | C55 | H16 | 161.2° | 176.5° |
| H17 | C55 | C56 | H19 | 165.8° | 176.0° |
| H17 | C55 | C56 | H18 | 76.8° | 60.6° |
| H16 | C55 | C56 | H19 | 46.5° | 68.2° |
| H16 | C55 | C56 | H18 | 163.9° | 176.4° |
| H19 | C56 | C57 | H21 | 177.3° | 90.3° |
| H19 | C56 | C57 | H20 | 63.8° | 155.2° |
| H18 | C56 | C57 | H21 | 59.9° | 25.1° |
| H18 | C56 | C57 | H20 | 178.8° | 89.4° |
| H21 | C57 | C58 | H22 | 162.7° | 108.1° |
| H21 | C57 | C58 | H23 | 78.8° | 136.8° |
| H20 | C57 | C58 | H22 | 43.8° | 6.5° |
| H20 | C57 | C58 | H23 | 162.3° | 108.6° |
| H22 | C58 | C59 | H24 | 132.3° | 166.8° |
| H22 | C58 | C59 | H25 | 12.8° | 51.8° |
| H23 | C58 | C59 | H24 | 109.1° | 78.3° |
| H23 | C58 | C59 | H25 | 131.3° | 166.7° |
| H24 | C59 | C60 | H26 | 175.9° | 106.2° |
| H24 | C59 | C60 | H27 | 57.4° | 139.1° |
| H25 | C59 | C60 | H26 | 64.6° | 8.9° |
| H25 | C59 | C60 | H27 | 177.0° | 105.7° |
| H26 | C60 | C61 | H28 | 168.1° | 85.5° |
| H26 | C60 | C61 | H29 | 49.3° | 159.1° |
| H27 | C60 | C61 | H28 | 73.4° | 29.1° |
| H27 | C60 | C61 | H29 | 167.7° | 86.4° |
| H28 | C61 | C62 | H31 | 73.0° | 167.2° |
| H28 | C61 | C62 | H30 | 168.8° | 52.0° |
| H29 | C61 | C62 | H31 | 45.9° | 77.4° |
| H29 | C61 | C62 | H30 | 72.3° | 167.5° |
| H31 | C62 | C63 | H33 | 70.7° | 151.7° |
| H31 | C62 | C63 | H32 | 170.8° | 93.0° |
| H30 | C62 | C63 | H33 | 47.5° | 36.3° |
| H30 | C62 | C63 | H32 | 71.0° | 151.6° |
| H33 | C63 | C64 | H35 | 115.3° | 86.4° |
| H33 | C63 | C64 | H34 | 2.5° | 28.6° |
| H32 | C63 | C64 | H35 | 126.2° | 158.6° |
| H32 | C63 | C64 | H34 | 115.9° | 86.4° |
| H35 | C64 | C65 | H36 | 75.5° | 115.4° |
| H35 | C64 | C65 | H37 | 166.2° | 0.1° |
| H34 | C64 | C65 | H36 | 42.3° | 130.0° |
| H34 | C64 | C65 | H37 | 76.0° | 114.4° |
| H36 | C65 | C66 | H38 | 59.2° | 54.9° |
| H36 | C65 | C66 | H40 | 179.2° | 174.9° |
| H36 | C65 | C66 | H39 | 60.8° | 65.2° |
| H37 | C65 | C66 | H38 | 59.1° | 60.3° |
| H37 | C65 | C66 | H40 | 60.9° | 59.6° |
| H37 | C65 | C66 | H39 | 179.2° | 179.6° |
| H38 | C66 | H40 | H39 | 120.0° | 119.8° |
