1YT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.36Å | |
| F3 | C2 | sing | 1.40Å | 1.36Å | |
| C2 | F4 | sing | 1.40Å | 1.35Å | |
| C2 | C5 | sing | 1.53Å | 1.55Å | |
| O61 | C21 | sing | 1.43Å | 1.44Å | |
| N33 | C35 | sing | 1.47Å | 1.49Å | |
| N33 | C23 | sing | 1.47Å | 1.49Å | |
| C21 | C23 | sing | 1.53Å | 1.56Å | |
| C21 | C19 | sing | 1.53Å | 1.56Å | |
| C5 | O7 | sing | 1.43Å | 1.45Å | |
| C5 | C67 | sing | 1.53Å | 1.56Å | |
| C16 | C19 | sing | 1.53Å | 1.57Å | |
| C16 | C13 | sing | 1.51Å | 1.54Å | |
| C35 | C38 | sing | 1.51Å | 1.54Å | |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | C25 | sing | 1.53Å | 1.56Å | |
| C19 | C29 | sing | 1.53Å | 1.57Å | |
| O7 | C8 | sing | 1.36Å | 1.39Å | |
| C25 | S28 | sing | 1.82Å | 1.79Å | |
| C29 | S28 | sing | 1.82Å | 1.79Å | |
| C67 | O70 | sing | 1.43Å | 1.44Å | |
| C13 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C49 | C48 | sing | 1.53Å | 1.56Å | |
| C39 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | C41 | sing | 1.38Å | 1.43Å | Aromatic |
| C38 | C46 | sing | 1.38Å | 1.42Å | Aromatic |
| S28 | O32 | doub | 1.42Å | 1.51Å | |
| C57 | C48 | sing | 1.53Å | 1.57Å | |
| O70 | C71 | sing | 1.43Å | 1.44Å | |
| C11 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C48 | C41 | sing | 1.51Å | 1.57Å | |
| C48 | C53 | sing | 1.53Å | 1.57Å | |
| C9 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | N64 | sing | 1.40Å | 1.35Å | |
| C41 | C42 | doub | 1.38Å | 1.43Å | Aromatic |
| C46 | C44 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | F63 | sing | 1.35Å | 1.33Å | |
| C42 | C44 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| N33 | H14 | sing | 1.01Å | 1.00Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.08Å | 1.08Å | |
| C42 | H19 | sing | 1.08Å | 1.08Å | |
| C44 | H20 | sing | 1.08Å | 1.08Å | |
| C46 | H21 | sing | 1.08Å | 1.08Å | |
| C49 | H22 | sing | 1.09Å | 1.10Å | |
| C49 | H23 | sing | 1.09Å | 1.10Å | |
| C49 | H24 | sing | 1.09Å | 1.10Å | |
| C53 | H25 | sing | 1.09Å | 1.10Å | |
| C53 | H26 | sing | 1.09Å | 1.10Å | |
| C53 | H27 | sing | 1.09Å | 1.10Å | |
| C57 | H28 | sing | 1.09Å | 1.10Å | |
| C57 | H29 | sing | 1.09Å | 1.10Å | |
| C57 | H30 | sing | 1.09Å | 1.10Å | |
| O61 | H31 | sing | 0.97Å | 0.95Å | |
| N64 | H32 | sing | 0.97Å | 1.00Å | |
| N64 | H33 | sing | 0.97Å | 1.00Å | |
| C67 | H34 | sing | 1.09Å | 1.10Å | |
| C67 | H35 | sing | 1.09Å | 1.10Å | |
| C71 | H36 | sing | 1.09Å | 1.10Å | |
| C71 | H37 | sing | 1.09Å | 1.10Å | |
| C71 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | F3 | 108.6° | 109.5° |
| F1 | C2 | F4 | 108.3° | 109.5° |
| F1 | C2 | C5 | 109.8° | 109.5° |
| F3 | C2 | F4 | 109.9° | 109.5° |
| F3 | C2 | C5 | 112.0° | 109.5° |
| F4 | C2 | C5 | 108.1° | 109.5° |
| C2 | C5 | O7 | 108.3° | 109.5° |
| C2 | C5 | C67 | 112.0° | 109.5° |
| C2 | C5 | H1 | 107.7° | 109.5° |
| O61 | C21 | C23 | 106.4° | 109.2° |
| O61 | C21 | C19 | 112.4° | 109.2° |
| O61 | C21 | H7 | 109.7° | 109.2° |
| C21 | O61 | H31 | 109.5° | 114.1° |
| C35 | N33 | C23 | 122.4° | 111.0° |
| N33 | C35 | C38 | 110.2° | 109.5° |
| C35 | N33 | H14 | 106.2° | 111.0° |
| N33 | C35 | H16 | 109.3° | 109.5° |
| N33 | C35 | H17 | 109.3° | 109.5° |
| N33 | C23 | C21 | 111.5° | 109.4° |
| N33 | C23 | C25 | 107.8° | 109.4° |
| N33 | C23 | H8 | 108.3° | 109.3° |
| C23 | N33 | H14 | 106.2° | 111.0° |
| C23 | C21 | C19 | 112.1° | 110.7° |
| C21 | C23 | C25 | 114.2° | 110.0° |
| C23 | C21 | H7 | 108.1° | 109.2° |
| C21 | C23 | H8 | 107.4° | 109.4° |
| C21 | C19 | C16 | 115.2° | 109.4° |
| C21 | C19 | C29 | 109.4° | 110.0° |
| C21 | C19 | H6 | 106.7° | 109.3° |
| C19 | C21 | H7 | 108.1° | 109.2° |
| O7 | C5 | C67 | 112.0° | 109.4° |
| C5 | O7 | C8 | 119.7° | 117.0° |
| O7 | C5 | H1 | 109.0° | 109.5° |
| C5 | C67 | O70 | 108.9° | 109.5° |
| C67 | C5 | H1 | 107.6° | 109.5° |
| C5 | C67 | H34 | 109.6° | 109.5° |
| C5 | C67 | H35 | 109.6° | 109.4° |
| C19 | C16 | C13 | 111.6° | 109.5° |
| C16 | C19 | C29 | 112.0° | 109.4° |
| C19 | C16 | H4 | 108.9° | 109.5° |
| C19 | C16 | H5 | 108.9° | 109.5° |
| C16 | C19 | H6 | 106.5° | 109.4° |
| C16 | C13 | C14 | 118.9° | 119.9° |
| C16 | C13 | C11 | 121.6° | 119.9° |
| C13 | C16 | H4 | 108.9° | 109.4° |
| C13 | C16 | H5 | 109.0° | 109.5° |
| C35 | C38 | C39 | 119.8° | 120.0° |
| C35 | C38 | C46 | 120.6° | 120.0° |
| C38 | C35 | H16 | 109.3° | 109.5° |
| C38 | C35 | H17 | 109.3° | 109.4° |
| C13 | C14 | C8 | 120.4° | 120.0° |
| C14 | C13 | C11 | 119.5° | 120.2° |
| C13 | C14 | H3 | 119.8° | 120.0° |
| C14 | C8 | O7 | 121.0° | 120.1° |
| C14 | C8 | C9 | 120.3° | 119.8° |
| C8 | C14 | H3 | 119.8° | 120.0° |
| C23 | C25 | S28 | 112.6° | 108.8° |
| C25 | C23 | H8 | 107.5° | 109.4° |
| C23 | C25 | H9 | 108.7° | 109.5° |
| C23 | C25 | H10 | 108.7° | 109.5° |
| C19 | C29 | S28 | 111.2° | 108.9° |
| C29 | C19 | H6 | 106.6° | 109.4° |
| C19 | C29 | H11 | 109.1° | 109.6° |
| C19 | C29 | H12 | 109.0° | 109.6° |
| O7 | C8 | C9 | 118.7° | 120.1° |
| C25 | S28 | C29 | 99.2° | 102.2° |
| C25 | S28 | O32 | 109.4° | 109.5° |
| S28 | C25 | H9 | 108.7° | 109.6° |
| S28 | C25 | H10 | 108.7° | 109.6° |
| C29 | S28 | O32 | 105.3° | 109.5° |
| S28 | C29 | H11 | 109.0° | 109.5° |
| S28 | C29 | H12 | 109.1° | 109.6° |
| C67 | O70 | C71 | 113.6° | 114.0° |
| O70 | C67 | H34 | 109.6° | 109.5° |
| O70 | C67 | H35 | 109.6° | 109.5° |
| C13 | C11 | C10 | 119.9° | 120.1° |
| C13 | C11 | H2 | 120.0° | 120.0° |
| C8 | C9 | C10 | 119.4° | 119.8° |
| C8 | C9 | N64 | 120.0° | 120.0° |
| C49 | C48 | C57 | 108.0° | 109.5° |
| C49 | C48 | C41 | 109.6° | 109.5° |
| C49 | C48 | C53 | 107.1° | 109.4° |
| C48 | C49 | H22 | 109.5° | 109.5° |
| C48 | C49 | H23 | 109.5° | 109.5° |
| C48 | C49 | H24 | 109.5° | 109.5° |
| C38 | C39 | C41 | 122.8° | 120.0° |
| C39 | C38 | C46 | 119.6° | 120.0° |
| C38 | C39 | H18 | 118.6° | 120.0° |
| C39 | C41 | C48 | 120.7° | 120.0° |
| C39 | C41 | C42 | 115.9° | 120.0° |
| C41 | C39 | H18 | 118.6° | 120.0° |
| C38 | C46 | C44 | 119.4° | 120.0° |
| C38 | C46 | H21 | 120.2° | 120.0° |
| C57 | C48 | C41 | 111.1° | 109.5° |
| C57 | C48 | C53 | 105.7° | 109.5° |
| C48 | C57 | H28 | 109.5° | 109.5° |
| C48 | C57 | H29 | 109.5° | 109.5° |
| C48 | C57 | H30 | 109.5° | 109.4° |
| O70 | C71 | H36 | 109.5° | 109.5° |
| O70 | C71 | H37 | 109.5° | 109.4° |
| O70 | C71 | H38 | 109.5° | 109.4° |
| C11 | C10 | C9 | 120.5° | 120.0° |
| C11 | C10 | F63 | 120.0° | 120.0° |
| C10 | C11 | H2 | 120.1° | 119.9° |
| C41 | C48 | C53 | 115.1° | 109.5° |
| C48 | C41 | C42 | 123.4° | 120.0° |
| C48 | C53 | H25 | 109.5° | 109.5° |
| C48 | C53 | H26 | 109.5° | 109.5° |
| C48 | C53 | H27 | 109.5° | 109.4° |
| C10 | C9 | N64 | 120.6° | 120.2° |
| C9 | C10 | F63 | 119.6° | 120.0° |
| C9 | N64 | H32 | 109.5° | 120.1° |
| C9 | N64 | H33 | 109.5° | 120.0° |
| C41 | C42 | C44 | 122.4° | 120.0° |
| C41 | C42 | H19 | 118.8° | 120.0° |
| C46 | C44 | C42 | 119.9° | 120.0° |
| C46 | C44 | H20 | 120.1° | 120.0° |
| C44 | C46 | H21 | 120.3° | 120.0° |
| C44 | C42 | H19 | 118.8° | 120.0° |
| C42 | C44 | H20 | 120.1° | 120.0° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H9 | C25 | H10 | 109.5° | 109.7° |
| H11 | C29 | H12 | 109.4° | 109.7° |
| H16 | C35 | H17 | 109.5° | 109.5° |
| H22 | C49 | H23 | 109.5° | 109.4° |
| H22 | C49 | H24 | 109.5° | 109.4° |
| H23 | C49 | H24 | 109.5° | 109.5° |
| H25 | C53 | H26 | 109.5° | 109.5° |
| H25 | C53 | H27 | 109.4° | 109.4° |
| H26 | C53 | H27 | 109.5° | 109.5° |
| H28 | C57 | H29 | 109.4° | 109.5° |
| H28 | C57 | H30 | 109.5° | 109.5° |
| H29 | C57 | H30 | 109.5° | 109.5° |
| H32 | N64 | H33 | 109.4° | 119.9° |
| H34 | C67 | H35 | 109.5° | 109.5° |
| H36 | C71 | H37 | 109.5° | 109.5° |
| H36 | C71 | H38 | 109.5° | 109.5° |
| H37 | C71 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | F3 | F4 | 118.4° | 120.0° |
| F1 | C2 | F3 | C5 | 121.4° | 120.0° |
| F1 | C2 | F4 | C5 | 118.9° | 120.0° |
| F1 | C2 | C5 | O7 | 62.6° | 60.0° |
| F1 | C2 | C5 | C67 | 173.4° | 60.0° |
| F1 | C2 | C5 | H1 | 55.3° | 180.0° |
| F3 | C2 | F4 | C5 | 122.6° | 120.0° |
| F3 | C2 | C5 | O7 | 176.7° | 60.0° |
| F3 | C2 | C5 | C67 | 52.7° | 180.0° |
| F3 | C2 | C5 | H1 | 65.5° | 60.0° |
| F4 | C2 | C5 | O7 | 55.4° | 180.0° |
| F4 | C2 | C5 | C67 | 68.6° | 60.0° |
| F4 | C2 | C5 | H1 | 173.2° | 60.0° |
| C2 | C5 | O7 | C67 | 124.0° | 120.0° |
| C2 | C5 | O7 | H1 | 117.0° | 120.0° |
| C2 | C5 | C67 | H1 | 118.2° | 120.0° |
| C2 | C5 | O7 | C8 | 126.7° | 85.5° |
| C2 | C5 | C67 | O70 | 179.1° | 54.9° |
| C2 | C5 | C67 | H34 | 60.9° | 175.0° |
| C2 | C5 | C67 | H35 | 59.2° | 65.0° |
| O61 | C21 | C23 | N33 | 57.2° | 48.8° |
| O61 | C21 | C23 | C19 | 123.2° | 120.3° |
| O61 | C21 | C23 | H7 | 117.7° | 119.3° |
| O61 | C21 | C19 | H7 | 121.2° | 119.3° |
| O61 | C21 | C19 | C16 | 51.9° | 48.8° |
| O61 | C21 | C23 | C25 | 179.8° | 169.0° |
| O61 | C21 | C19 | C29 | 179.0° | 169.0° |
| O61 | C21 | C19 | H6 | 66.1° | 70.9° |
| O61 | C21 | C23 | H8 | 61.2° | 70.9° |
| C35 | N33 | C23 | H14 | 121.8° | 123.9° |
| C35 | N33 | C23 | C21 | 167.0° | 155.0° |
| N33 | C35 | C38 | H16 | 120.1° | 120.0° |
| N33 | C35 | C38 | H17 | 120.1° | 120.0° |
| C35 | N33 | C23 | C25 | 67.0° | 84.5° |
| N33 | C35 | C38 | C39 | 67.2° | 89.7° |
| N33 | C35 | C38 | C46 | 112.4° | 90.0° |
| C35 | N33 | C23 | H8 | 49.1° | 35.2° |
| N33 | C35 | H16 | H17 | 119.7° | 120.0° |
| N33 | C23 | C21 | C25 | 122.5° | 120.1° |
| N33 | C23 | C21 | H8 | 118.4° | 119.7° |
| N33 | C23 | C21 | C19 | 179.6° | 169.2° |
| C23 | N33 | C35 | C38 | 52.5° | 180.0° |
| N33 | C23 | C25 | H8 | 116.5° | 119.7° |
| N33 | C23 | C25 | S28 | 179.3° | 176.8° |
| N33 | C23 | C21 | H7 | 60.5° | 70.5° |
| N33 | C23 | C25 | H9 | 58.8° | 57.0° |
| N33 | C23 | C25 | H10 | 60.2° | 63.4° |
| C23 | N33 | C35 | H16 | 172.6° | 60.0° |
| C23 | N33 | C35 | H17 | 67.6° | 60.0° |
| C23 | C21 | C19 | H7 | 119.0° | 120.4° |
| C23 | C21 | C19 | C16 | 171.6° | 169.1° |
| C21 | C23 | C25 | H8 | 119.0° | 120.2° |
| C23 | C21 | C19 | C29 | 61.3° | 70.7° |
| C21 | C23 | C25 | S28 | 56.3° | 63.0° |
| C23 | C21 | C19 | H6 | 53.6° | 49.4° |
| C21 | C23 | C25 | H9 | 176.7° | 177.2° |
| C21 | C23 | C25 | H10 | 64.2° | 56.8° |
| C21 | C23 | N33 | H14 | 71.2° | 81.0° |
| C23 | C21 | O61 | H31 | 180.0° | 60.0° |
| C21 | C19 | C16 | C29 | 125.8° | 120.5° |
| C21 | C19 | C16 | H6 | 118.1° | 119.7° |
| C21 | C19 | C16 | C13 | 177.4° | 174.5° |
| C19 | C21 | C23 | C25 | 57.0° | 70.7° |
| C21 | C19 | C29 | H6 | 115.0° | 120.0° |
| C21 | C19 | C29 | S28 | 66.6° | 63.0° |
| C21 | C19 | C16 | H4 | 57.1° | 54.5° |
| C21 | C19 | C16 | H5 | 62.3° | 65.5° |
| C19 | C21 | C23 | H8 | 62.0° | 49.5° |
| C21 | C19 | C29 | H11 | 53.6° | 56.8° |
| C21 | C19 | C29 | H12 | 173.1° | 177.2° |
| C19 | C21 | O61 | H31 | 57.0° | 178.8° |
| O7 | C5 | C67 | H1 | 119.8° | 120.0° |
| C5 | O7 | C8 | C14 | 48.6° | 5.0° |
| O7 | C5 | C67 | O70 | 57.2° | 65.0° |
| C5 | O7 | C8 | C9 | 131.1° | 174.8° |
| O7 | C5 | C67 | H34 | 177.1° | 55.0° |
| O7 | C5 | C67 | H35 | 62.7° | 175.0° |
| C67 | C5 | O7 | C8 | 109.3° | 154.4° |
| C5 | C67 | O70 | H34 | 119.9° | 120.0° |
| C5 | C67 | O70 | H35 | 119.9° | 119.9° |
| C5 | C67 | O70 | C71 | 172.3° | 180.0° |
| C5 | C67 | H34 | H35 | 120.3° | 120.0° |
| C19 | C16 | C13 | H4 | 120.3° | 120.0° |
| C19 | C16 | C13 | H5 | 120.3° | 120.0° |
| C19 | C16 | C13 | C14 | 107.1° | 89.7° |
| C16 | C19 | C29 | H6 | 116.1° | 119.8° |
| C16 | C19 | C29 | S28 | 164.4° | 176.8° |
| C19 | C16 | C13 | C11 | 72.1° | 90.0° |
| C19 | C16 | H4 | H5 | 119.0° | 120.0° |
| C16 | C19 | C21 | H7 | 69.4° | 70.5° |
| C16 | C19 | C29 | H11 | 75.3° | 63.4° |
| C16 | C19 | C29 | H12 | 44.1° | 57.0° |
| C16 | C13 | C14 | C11 | 179.2° | 179.7° |
| C16 | C13 | C14 | C8 | 178.8° | 179.7° |
| C13 | C16 | C19 | C29 | 51.6° | 65.0° |
| C16 | C13 | C11 | C10 | 178.8° | 180.0° |
| C16 | C13 | C11 | H2 | 1.2° | 0.1° |
| C16 | C13 | C14 | H3 | 1.2° | 0.3° |
| C13 | C16 | H4 | H5 | 119.1° | 120.0° |
| C13 | C16 | C19 | H6 | 64.5° | 54.8° |
| C35 | C38 | C39 | C46 | 179.6° | 179.7° |
| C35 | C38 | C39 | C41 | 179.8° | 180.0° |
| C35 | C38 | C46 | C44 | 179.8° | 179.8° |
| C38 | C35 | N33 | H14 | 174.3° | 56.0° |
| C38 | C35 | H16 | H17 | 119.7° | 120.0° |
| C35 | C38 | C39 | H18 | 0.2° | 0.1° |
| C35 | C38 | C46 | H21 | 0.2° | 0.0° |
| C13 | C14 | C8 | H3 | 180.0° | 179.4° |
| C13 | C14 | C8 | O7 | 179.4° | 179.7° |
| C13 | C14 | C8 | C9 | 0.3° | 0.6° |
| C14 | C13 | C11 | C10 | 0.3° | 0.3° |
| C14 | C13 | C11 | H2 | 179.7° | 179.6° |
| C14 | C13 | C16 | H4 | 13.2° | 30.3° |
| C14 | C13 | C16 | H5 | 132.6° | 150.3° |
| C14 | C8 | O7 | C9 | 179.7° | 179.8° |
| C8 | C14 | C13 | C11 | 0.4° | 0.6° |
| C14 | C8 | C9 | C10 | 0.1° | 0.2° |
| C14 | C8 | C9 | N64 | 179.9° | 179.7° |
| C23 | C25 | S28 | H9 | 120.4° | 119.8° |
| C23 | C25 | S28 | H10 | 120.5° | 119.7° |
| C23 | C25 | S28 | C29 | 53.8° | 53.2° |
| C23 | C25 | S28 | O32 | 56.1° | 62.8° |
| C25 | C23 | C21 | H7 | 62.0° | 49.7° |
| C23 | C25 | H9 | H10 | 118.5° | 120.3° |
| C25 | C23 | N33 | H14 | 54.9° | 39.5° |
| C19 | C29 | S28 | C25 | 59.7° | 53.3° |
| C19 | C29 | S28 | H11 | 120.3° | 119.8° |
| C19 | C29 | S28 | H12 | 120.3° | 119.8° |
| C19 | C29 | S28 | O32 | 53.5° | 62.8° |
| C29 | C19 | C16 | H4 | 68.7° | 175.0° |
| C29 | C19 | C16 | H5 | 171.9° | 55.0° |
| C29 | C19 | C21 | H7 | 57.8° | 49.7° |
| C19 | C29 | H11 | H12 | 119.2° | 120.3° |
| O7 | C8 | C9 | C10 | 179.6° | 180.0° |
| O7 | C8 | C9 | N64 | 0.4° | 0.0° |
| C8 | O7 | C5 | H1 | 9.7° | 34.5° |
| O7 | C8 | C14 | H3 | 0.6° | 0.3° |
| C25 | S28 | C29 | O32 | 113.2° | 116.0° |
| S28 | C25 | C23 | H8 | 62.8° | 57.2° |
| S28 | C25 | H9 | H10 | 118.6° | 120.4° |
| C25 | S28 | C29 | H11 | 60.5° | 66.6° |
| C25 | S28 | C29 | H12 | 180.0° | 173.1° |
| S28 | C29 | C19 | H6 | 48.3° | 57.0° |
| C29 | S28 | C25 | H9 | 174.2° | 173.0° |
| C29 | S28 | C25 | H10 | 66.7° | 66.5° |
| S28 | C29 | H11 | H12 | 119.2° | 120.3° |
| O70 | C67 | C5 | H1 | 62.6° | 175.0° |
| O70 | C67 | H34 | H35 | 120.3° | 120.0° |
| C67 | O70 | C71 | H36 | 180.0° | 59.9° |
| C67 | O70 | C71 | H37 | 60.0° | 60.1° |
| C67 | O70 | C71 | H38 | 60.0° | 180.0° |
| C13 | C11 | C10 | H2 | 180.0° | 179.9° |
| C13 | C11 | C10 | C9 | 0.2° | 0.0° |
| C13 | C11 | C10 | F63 | 179.6° | 179.9° |
| C11 | C13 | C14 | H3 | 179.6° | 180.0° |
| C11 | C13 | C16 | H4 | 167.6° | 150.0° |
| C11 | C13 | C16 | H5 | 48.2° | 30.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.1° |
| C8 | C9 | C10 | N64 | 180.0° | 180.0° |
| C8 | C9 | C10 | F63 | 179.7° | 180.0° |
| C9 | C8 | C14 | H3 | 179.7° | 180.0° |
| C8 | C9 | N64 | H32 | 180.0° | 0.0° |
| C8 | C9 | N64 | H33 | 60.0° | 180.0° |
| C49 | C48 | C41 | C39 | 49.0° | 59.9° |
| C49 | C48 | C57 | C41 | 120.2° | 120.1° |
| C49 | C48 | C57 | C53 | 114.3° | 119.9° |
| C49 | C48 | C41 | C53 | 120.7° | 120.0° |
| C49 | C48 | C41 | C42 | 131.5° | 120.0° |
| C48 | C49 | H22 | H23 | 120.0° | 120.1° |
| C48 | C49 | H22 | H24 | 120.0° | 120.0° |
| C48 | C49 | H23 | H24 | 120.0° | 120.0° |
| C49 | C48 | C53 | H25 | 180.0° | 180.0° |
| C49 | C48 | C53 | H26 | 60.0° | 60.0° |
| C49 | C48 | C53 | H27 | 60.0° | 60.0° |
| C49 | C48 | C57 | H28 | 180.0° | 60.0° |
| C49 | C48 | C57 | H29 | 60.0° | 60.0° |
| C49 | C48 | C57 | H30 | 60.0° | 180.0° |
| C38 | C39 | C41 | H18 | 180.0° | 180.0° |
| C38 | C39 | C41 | C48 | 179.8° | 179.9° |
| C38 | C39 | C41 | C42 | 0.3° | 0.0° |
| C39 | C38 | C46 | C44 | 0.2° | 0.5° |
| C39 | C38 | C35 | H16 | 52.9° | 150.3° |
| C39 | C38 | C35 | H17 | 172.7° | 30.3° |
| C39 | C38 | C46 | H21 | 179.8° | 179.7° |
| C41 | C39 | C38 | C46 | 0.2° | 0.3° |
| C39 | C41 | C48 | C57 | 70.2° | 180.0° |
| C39 | C41 | C48 | C42 | 179.5° | 179.9° |
| C39 | C41 | C48 | C53 | 169.8° | 60.0° |
| C39 | C41 | C42 | C44 | 0.4° | 0.1° |
| C39 | C41 | C42 | H19 | 179.6° | 179.9° |
| C38 | C46 | C44 | H21 | 180.0° | 179.8° |
| C38 | C46 | C44 | C42 | 0.3° | 0.4° |
| C46 | C38 | C35 | H16 | 127.5° | 30.0° |
| C46 | C38 | C35 | H17 | 7.7° | 150.0° |
| C46 | C38 | C39 | H18 | 179.8° | 179.8° |
| C38 | C46 | C44 | H20 | 179.7° | 179.7° |
| O32 | S28 | C25 | H9 | 64.3° | 57.0° |
| O32 | S28 | C25 | H10 | 176.6° | 177.5° |
| O32 | S28 | C29 | H11 | 173.7° | 177.4° |
| O32 | S28 | C29 | H12 | 66.8° | 57.1° |
| C57 | C48 | C41 | C53 | 120.0° | 120.0° |
| C57 | C48 | C41 | C42 | 109.3° | 0.1° |
| C57 | C48 | C49 | H22 | 180.0° | 180.0° |
| C57 | C48 | C49 | H23 | 60.0° | 60.0° |
| C57 | C48 | C49 | H24 | 60.0° | 60.1° |
| C57 | C48 | C53 | H25 | 65.1° | 60.1° |
| C57 | C48 | C53 | H26 | 54.9° | 60.0° |
| C57 | C48 | C53 | H27 | 174.9° | 180.0° |
| C48 | C57 | H28 | H29 | 120.0° | 120.0° |
| C48 | C57 | H28 | H30 | 120.0° | 119.9° |
| C48 | C57 | H29 | H30 | 120.0° | 120.0° |
| C71 | O70 | C67 | H34 | 52.4° | 60.0° |
| C71 | O70 | C67 | H35 | 67.8° | 60.1° |
| O70 | C71 | H36 | H37 | 120.0° | 120.0° |
| O70 | C71 | H36 | H38 | 120.0° | 120.0° |
| O70 | C71 | H37 | H38 | 120.0° | 119.9° |
| C11 | C10 | C9 | F63 | 179.7° | 179.9° |
| C11 | C10 | C9 | N64 | 180.0° | 180.0° |
| C48 | C41 | C42 | C44 | 179.9° | 180.0° |
| C48 | C41 | C39 | H18 | 0.2° | 0.0° |
| C48 | C41 | C42 | H19 | 0.1° | 0.0° |
| C41 | C48 | C49 | H22 | 58.9° | 59.9° |
| C41 | C48 | C49 | H23 | 178.9° | 180.0° |
| C41 | C48 | C49 | H24 | 61.1° | 60.0° |
| C41 | C48 | C53 | H25 | 57.8° | 60.0° |
| C41 | C48 | C53 | H26 | 177.9° | 180.0° |
| C41 | C48 | C53 | H27 | 62.1° | 60.0° |
| C41 | C48 | C57 | H28 | 59.8° | 60.0° |
| C41 | C48 | C57 | H29 | 60.2° | 180.0° |
| C41 | C48 | C57 | H30 | 179.8° | 60.0° |
| C53 | C48 | C41 | C42 | 10.7° | 120.1° |
| C53 | C48 | C49 | H22 | 66.6° | 60.0° |
| C53 | C48 | C49 | H23 | 53.4° | 60.0° |
| C53 | C48 | C49 | H24 | 173.3° | 180.0° |
| C48 | C53 | H25 | H26 | 120.0° | 120.0° |
| C48 | C53 | H25 | H27 | 120.0° | 119.9° |
| C48 | C53 | H26 | H27 | 120.0° | 120.0° |
| C53 | C48 | C57 | H28 | 65.7° | 180.0° |
| C53 | C48 | C57 | H29 | 174.3° | 60.0° |
| C53 | C48 | C57 | H30 | 54.3° | 60.1° |
| C9 | C10 | C11 | H2 | 179.8° | 180.0° |
| C10 | C9 | N64 | H32 | 0.0° | 180.0° |
| C10 | C9 | N64 | H33 | 119.9° | 0.0° |
| N64 | C9 | C10 | F63 | 0.3° | 0.1° |
| C9 | N64 | H32 | H33 | 120.0° | 180.0° |
| C41 | C42 | C44 | C46 | 0.4° | 0.1° |
| C41 | C42 | C44 | H19 | 180.0° | 180.0° |
| C42 | C41 | C39 | H18 | 179.7° | 180.0° |
| C41 | C42 | C44 | H20 | 179.6° | 180.0° |
| C46 | C44 | C42 | H20 | 180.0° | 179.9° |
| C46 | C44 | C42 | H19 | 179.6° | 179.8° |
| F63 | C10 | C11 | H2 | 0.4° | 0.2° |
| C42 | C44 | C46 | H21 | 179.7° | 179.8° |
| H1 | C5 | C67 | H34 | 57.3° | 65.0° |
| H1 | C5 | C67 | H35 | 177.5° | 55.0° |
| H4 | C16 | C19 | H6 | 175.2° | 65.2° |
| H5 | C16 | C19 | H6 | 55.8° | 174.8° |
| H6 | C19 | C21 | H7 | 172.7° | 169.8° |
| H6 | C19 | C29 | H11 | 168.6° | 176.8° |
| H6 | C19 | C29 | H12 | 72.0° | 62.8° |
| H7 | C21 | C23 | H8 | 178.9° | 169.8° |
| H7 | C21 | O61 | H31 | 63.3° | 59.4° |
| H8 | C23 | C25 | H9 | 57.7° | 62.7° |
| H8 | C23 | C25 | H10 | 176.8° | 176.9° |
| H8 | C23 | N33 | H14 | 170.9° | 159.2° |
| H14 | N33 | C35 | H16 | 65.6° | 64.0° |
| H14 | N33 | C35 | H17 | 54.2° | 176.0° |
| H19 | C42 | C44 | H20 | 0.4° | 0.0° |
| H20 | C44 | C46 | H21 | 0.3° | 0.1° |
| H22 | C49 | H23 | H24 | 120.0° | 119.9° |
| H25 | C53 | H26 | H27 | 120.0° | 120.0° |
| H28 | C57 | H29 | H30 | 120.0° | 120.0° |
| H36 | C71 | H37 | H38 | 120.0° | 120.1° |
