1YU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C53 | C48 | sing | 1.53Å | 1.57Å | |
| C49 | C48 | sing | 1.53Å | 1.56Å | |
| C48 | C41 | sing | 1.51Å | 1.57Å | |
| C48 | C57 | sing | 1.53Å | 1.56Å | |
| C42 | C41 | doub | 1.38Å | 1.42Å | Aromatic |
| C42 | C44 | sing | 1.38Å | 1.42Å | Aromatic |
| C41 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| C44 | C46 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C46 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C38 | C35 | sing | 1.51Å | 1.54Å | |
| C35 | N33 | sing | 1.47Å | 1.50Å | |
| N33 | C23 | sing | 1.47Å | 1.49Å | |
| O61 | C21 | sing | 1.43Å | 1.44Å | |
| C23 | C25 | sing | 1.53Å | 1.56Å | |
| C23 | C21 | sing | 1.53Å | 1.57Å | |
| C25 | S28 | sing | 1.82Å | 1.79Å | |
| C21 | C19 | sing | 1.53Å | 1.57Å | |
| F63 | C10 | sing | 1.35Å | 1.33Å | |
| S28 | O32 | doub | 1.42Å | 1.50Å | |
| S28 | C29 | sing | 1.82Å | 1.78Å | |
| C19 | C16 | sing | 1.53Å | 1.57Å | |
| C19 | C29 | sing | 1.53Å | 1.57Å | |
| C11 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | N64 | sing | 1.40Å | 1.35Å | |
| C9 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | O7 | sing | 1.36Å | 1.39Å | |
| F3 | C2 | sing | 1.40Å | 1.36Å | |
| O7 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C2 | sing | 1.53Å | 1.55Å | |
| C5 | C67 | sing | 1.53Å | 1.55Å | |
| C2 | F1 | sing | 1.40Å | 1.36Å | |
| C2 | F4 | sing | 1.40Å | 1.36Å | |
| F70 | C67 | sing | 1.40Å | 1.36Å | |
| C67 | F69 | sing | 1.40Å | 1.35Å | |
| C67 | F68 | sing | 1.40Å | 1.36Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C53 | C48 | C49 | 107.0° | 109.5° |
| C53 | C48 | C41 | 114.5° | 109.5° |
| C53 | C48 | C57 | 106.4° | 109.5° |
| C48 | C53 | H25 | 109.5° | 109.5° |
| C48 | C53 | H26 | 109.4° | 109.5° |
| C48 | C53 | H27 | 109.5° | 109.4° |
| C49 | C48 | C41 | 110.2° | 109.5° |
| C49 | C48 | C57 | 108.2° | 109.5° |
| C48 | C49 | H22 | 109.5° | 109.5° |
| C48 | C49 | H23 | 109.5° | 109.5° |
| C48 | C49 | H24 | 109.5° | 109.5° |
| C41 | C48 | C57 | 110.3° | 109.5° |
| C48 | C41 | C42 | 123.5° | 120.0° |
| C48 | C41 | C39 | 120.4° | 120.0° |
| C48 | C57 | H28 | 109.5° | 109.5° |
| C48 | C57 | H29 | 109.5° | 109.5° |
| C48 | C57 | H30 | 109.5° | 109.5° |
| C41 | C42 | C44 | 122.3° | 120.0° |
| C42 | C41 | C39 | 116.1° | 120.0° |
| C41 | C42 | H19 | 118.8° | 120.0° |
| C42 | C44 | C46 | 119.9° | 120.0° |
| C44 | C42 | H19 | 118.8° | 120.0° |
| C42 | C44 | H20 | 120.1° | 120.0° |
| C41 | C39 | C38 | 122.9° | 120.0° |
| C41 | C39 | H18 | 118.6° | 120.0° |
| C44 | C46 | C38 | 119.4° | 120.0° |
| C46 | C44 | H20 | 120.1° | 120.0° |
| C44 | C46 | H21 | 120.3° | 120.0° |
| C39 | C38 | C46 | 119.4° | 120.0° |
| C39 | C38 | C35 | 119.3° | 120.0° |
| C38 | C39 | H18 | 118.6° | 120.0° |
| C46 | C38 | C35 | 121.3° | 120.0° |
| C38 | C46 | H21 | 120.3° | 120.1° |
| C38 | C35 | N33 | 109.7° | 109.5° |
| C38 | C35 | H16 | 109.4° | 109.5° |
| C38 | C35 | H17 | 109.4° | 109.5° |
| C35 | N33 | C23 | 121.5° | 111.0° |
| C35 | N33 | H14 | 106.4° | 111.0° |
| N33 | C35 | H16 | 109.4° | 109.5° |
| N33 | C35 | H17 | 109.4° | 109.5° |
| N33 | C23 | C25 | 111.5° | 109.4° |
| N33 | C23 | C21 | 113.3° | 109.4° |
| N33 | C23 | H8 | 105.8° | 109.4° |
| C23 | N33 | H14 | 106.4° | 111.0° |
| O61 | C21 | C23 | 105.8° | 109.2° |
| O61 | C21 | C19 | 112.1° | 109.2° |
| O61 | C21 | H7 | 109.6° | 109.2° |
| C21 | O61 | H31 | 109.5° | 114.0° |
| C25 | C23 | C21 | 115.0° | 109.9° |
| C23 | C25 | S28 | 109.0° | 108.9° |
| C25 | C23 | H8 | 105.1° | 109.3° |
| C23 | C25 | H9 | 109.6° | 109.6° |
| C23 | C25 | H10 | 109.6° | 109.6° |
| C23 | C21 | C19 | 113.2° | 110.8° |
| C23 | C21 | H7 | 108.0° | 109.3° |
| C21 | C23 | H8 | 105.0° | 109.4° |
| C25 | S28 | O32 | 106.7° | 109.5° |
| C25 | S28 | C29 | 98.5° | 102.2° |
| S28 | C25 | H9 | 109.6° | 109.6° |
| S28 | C25 | H10 | 109.6° | 109.6° |
| C21 | C19 | C16 | 114.9° | 109.4° |
| C21 | C19 | C29 | 110.1° | 109.9° |
| C21 | C19 | H6 | 106.7° | 109.4° |
| C19 | C21 | H7 | 108.0° | 109.2° |
| F63 | C10 | C11 | 119.8° | 120.1° |
| F63 | C10 | C9 | 119.7° | 120.0° |
| O32 | S28 | C29 | 106.7° | 109.5° |
| S28 | C29 | C19 | 110.2° | 108.8° |
| S28 | C29 | H11 | 109.3° | 109.6° |
| S28 | C29 | H12 | 109.3° | 109.6° |
| C16 | C19 | C29 | 111.4° | 109.4° |
| C19 | C16 | C13 | 112.1° | 109.5° |
| C19 | C16 | H4 | 108.8° | 109.5° |
| C19 | C16 | H5 | 108.8° | 109.5° |
| C16 | C19 | H6 | 106.6° | 109.4° |
| C29 | C19 | H6 | 106.7° | 109.4° |
| C19 | C29 | H11 | 109.3° | 109.6° |
| C19 | C29 | H12 | 109.3° | 109.6° |
| C10 | C11 | C13 | 119.7° | 120.2° |
| C11 | C10 | C9 | 120.4° | 119.9° |
| C10 | C11 | H2 | 120.2° | 119.9° |
| C11 | C13 | C16 | 121.9° | 119.9° |
| C11 | C13 | C14 | 119.9° | 120.2° |
| C13 | C11 | H2 | 120.1° | 119.9° |
| C10 | C9 | N64 | 120.5° | 120.1° |
| C10 | C9 | C8 | 119.5° | 119.8° |
| C16 | C13 | C14 | 118.3° | 119.9° |
| C13 | C16 | H4 | 108.8° | 109.5° |
| C13 | C16 | H5 | 108.8° | 109.5° |
| C13 | C14 | C8 | 120.4° | 120.1° |
| C13 | C14 | H3 | 119.8° | 119.9° |
| N64 | C9 | C8 | 120.0° | 120.1° |
| C9 | N64 | H32 | 109.5° | 120.0° |
| C9 | N64 | H33 | 109.4° | 120.0° |
| C9 | C8 | C14 | 120.0° | 119.9° |
| C9 | C8 | O7 | 118.4° | 120.1° |
| C14 | C8 | O7 | 121.6° | 120.1° |
| C8 | C14 | H3 | 119.7° | 120.0° |
| C8 | O7 | C5 | 120.0° | 117.0° |
| F3 | C2 | C5 | 109.4° | 109.4° |
| F3 | C2 | F1 | 107.2° | 109.5° |
| F3 | C2 | F4 | 108.5° | 109.5° |
| O7 | C5 | C2 | 110.7° | 109.4° |
| O7 | C5 | C67 | 105.9° | 109.5° |
| O7 | C5 | H1 | 108.9° | 109.5° |
| C2 | C5 | C67 | 115.9° | 109.5° |
| C5 | C2 | F1 | 110.4° | 109.4° |
| C5 | C2 | F4 | 111.2° | 109.5° |
| C2 | C5 | H1 | 107.6° | 109.4° |
| C5 | C67 | F70 | 109.9° | 109.5° |
| C5 | C67 | F69 | 110.3° | 109.5° |
| C5 | C67 | F68 | 110.8° | 109.5° |
| C67 | C5 | H1 | 107.6° | 109.5° |
| F1 | C2 | F4 | 110.1° | 109.5° |
| F70 | C67 | F69 | 107.9° | 109.5° |
| F70 | C67 | F68 | 107.9° | 109.5° |
| F69 | C67 | F68 | 110.0° | 109.4° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H9 | C25 | H10 | 109.5° | 109.6° |
| H11 | C29 | H12 | 109.5° | 109.7° |
| H16 | C35 | H17 | 109.5° | 109.5° |
| H22 | C49 | H23 | 109.5° | 109.4° |
| H22 | C49 | H24 | 109.4° | 109.5° |
| H23 | C49 | H24 | 109.5° | 109.5° |
| H25 | C53 | H26 | 109.5° | 109.5° |
| H25 | C53 | H27 | 109.4° | 109.5° |
| H26 | C53 | H27 | 109.5° | 109.4° |
| H28 | C57 | H29 | 109.5° | 109.4° |
| H28 | C57 | H30 | 109.4° | 109.5° |
| H29 | C57 | H30 | 109.5° | 109.4° |
| H32 | N64 | H33 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C53 | C48 | C49 | C41 | 125.1° | 120.0° |
| C53 | C48 | C49 | C57 | 114.3° | 120.0° |
| C53 | C48 | C41 | C57 | 120.0° | 120.0° |
| C53 | C48 | C41 | C42 | 11.4° | 120.0° |
| C53 | C48 | C41 | C39 | 168.8° | 60.0° |
| C53 | C48 | C49 | H22 | 180.0° | 60.0° |
| C53 | C48 | C49 | H23 | 60.0° | 60.0° |
| C53 | C48 | C49 | H24 | 60.0° | 180.0° |
| C48 | C53 | H25 | H26 | 120.0° | 120.0° |
| C48 | C53 | H25 | H27 | 120.0° | 120.0° |
| C48 | C53 | H26 | H27 | 120.0° | 119.9° |
| C53 | C48 | C57 | H28 | 180.0° | 180.0° |
| C53 | C48 | C57 | H29 | 60.0° | 60.0° |
| C53 | C48 | C57 | H30 | 60.0° | 60.0° |
| C49 | C48 | C41 | C57 | 119.3° | 120.0° |
| C49 | C48 | C41 | C42 | 132.1° | 0.0° |
| C49 | C48 | C41 | C39 | 48.2° | 180.0° |
| C48 | C49 | H22 | H23 | 120.0° | 120.0° |
| C48 | C49 | H22 | H24 | 120.0° | 120.1° |
| 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 | 65.3° | 60.0° |
| C49 | C48 | C57 | H29 | 54.7° | 60.0° |
| C49 | C48 | C57 | H30 | 174.7° | 180.0° |
| C48 | C41 | C42 | C39 | 179.8° | 180.0° |
| C48 | C41 | C42 | C44 | 179.8° | 180.0° |
| C48 | C41 | C39 | C38 | 179.6° | 180.0° |
| C48 | C41 | C39 | H18 | 0.4° | 0.0° |
| C48 | C41 | C42 | H19 | 0.2° | 0.0° |
| C41 | C48 | C49 | H22 | 54.9° | 60.0° |
| C41 | C48 | C49 | H23 | 65.1° | 180.0° |
| C41 | C48 | C49 | H24 | 174.9° | 60.0° |
| C41 | C48 | C53 | H25 | 57.6° | 60.0° |
| C41 | C48 | C53 | H26 | 177.6° | 179.9° |
| C41 | C48 | C53 | H27 | 62.4° | 60.0° |
| C41 | C48 | C57 | H28 | 55.2° | 60.0° |
| C41 | C48 | C57 | H29 | 175.2° | 180.0° |
| C41 | C48 | C57 | H30 | 64.7° | 60.0° |
| C57 | C48 | C41 | C42 | 108.6° | 120.1° |
| C57 | C48 | C41 | C39 | 71.2° | 60.0° |
| C57 | C48 | C49 | H22 | 65.7° | 179.9° |
| C57 | C48 | C49 | H23 | 174.3° | 60.0° |
| C57 | C48 | C49 | H24 | 54.3° | 60.0° |
| C57 | C48 | C53 | H25 | 64.6° | 60.0° |
| C57 | C48 | C53 | H26 | 55.5° | 60.0° |
| C57 | C48 | C53 | H27 | 175.5° | 180.0° |
| C48 | C57 | H28 | H29 | 120.0° | 120.0° |
| C48 | C57 | H28 | H30 | 120.0° | 120.1° |
| C48 | C57 | H29 | H30 | 120.0° | 120.0° |
| C41 | C42 | C44 | H19 | 180.0° | 180.0° |
| C41 | C42 | C44 | C46 | 0.1° | 0.2° |
| C42 | C41 | C39 | C38 | 0.2° | 0.0° |
| C42 | C41 | C39 | H18 | 179.8° | 180.0° |
| C41 | C42 | C44 | H20 | 179.9° | 180.0° |
| C44 | C42 | C41 | C39 | 0.0° | 0.1° |
| C42 | C44 | C46 | H20 | 180.0° | 179.8° |
| C42 | C44 | C46 | C38 | 0.0° | 0.5° |
| C42 | C44 | C46 | H21 | 180.0° | 179.9° |
| C41 | C39 | C38 | H18 | 180.0° | 180.0° |
| C41 | C39 | C38 | C46 | 0.3° | 0.3° |
| C41 | C39 | C38 | C35 | 179.4° | 180.0° |
| C39 | C41 | C42 | H19 | 180.0° | 180.0° |
| C44 | C46 | C38 | C39 | 0.2° | 0.6° |
| C44 | C46 | C38 | H21 | 180.0° | 179.4° |
| C44 | C46 | C38 | C35 | 179.4° | 179.7° |
| C46 | C44 | C42 | H19 | 179.9° | 179.8° |
| C39 | C38 | C46 | C35 | 179.6° | 179.7° |
| C39 | C38 | C35 | N33 | 68.1° | 90.0° |
| C39 | C38 | C35 | H16 | 171.9° | 30.0° |
| C39 | C38 | C35 | H17 | 51.9° | 150.0° |
| C39 | C38 | C46 | H21 | 179.8° | 180.0° |
| C46 | C38 | C35 | N33 | 111.5° | 90.3° |
| C46 | C38 | C35 | H16 | 8.5° | 149.7° |
| C46 | C38 | C35 | H17 | 128.4° | 29.7° |
| C46 | C38 | C39 | H18 | 179.7° | 179.7° |
| C38 | C46 | C44 | H20 | 180.0° | 179.7° |
| C38 | C35 | N33 | H16 | 120.0° | 120.0° |
| C38 | C35 | N33 | H17 | 120.0° | 120.0° |
| C38 | C35 | N33 | C23 | 52.8° | 180.0° |
| C38 | C35 | N33 | H14 | 174.5° | 56.1° |
| C38 | C35 | H16 | H17 | 119.9° | 120.0° |
| C35 | C38 | C39 | H18 | 0.7° | 0.0° |
| C35 | C38 | C46 | H21 | 0.6° | 0.3° |
| C35 | N33 | C23 | H14 | 121.7° | 123.9° |
| C35 | N33 | C23 | C25 | 66.3° | 85.0° |
| C35 | N33 | C23 | C21 | 162.0° | 154.6° |
| C35 | N33 | C23 | H8 | 47.5° | 34.8° |
| N33 | C35 | H16 | H17 | 119.9° | 120.0° |
| N33 | C23 | C21 | O61 | 52.2° | 48.9° |
| N33 | C23 | C25 | C21 | 130.8° | 120.2° |
| N33 | C23 | C25 | H8 | 114.2° | 119.7° |
| N33 | C23 | C21 | H8 | 115.1° | 119.8° |
| N33 | C23 | C25 | S28 | 169.9° | 176.9° |
| N33 | C23 | C21 | C19 | 175.3° | 169.1° |
| N33 | C23 | C21 | H7 | 65.1° | 70.5° |
| N33 | C23 | C25 | H9 | 50.0° | 57.0° |
| N33 | C23 | C25 | H10 | 70.2° | 63.3° |
| C23 | N33 | C35 | H16 | 67.2° | 60.0° |
| C23 | N33 | C35 | H17 | 172.8° | 60.0° |
| O61 | C21 | C23 | C25 | 177.9° | 169.1° |
| O61 | C21 | C23 | C19 | 123.1° | 120.2° |
| O61 | C21 | C23 | H7 | 117.3° | 119.4° |
| O61 | C21 | C19 | H7 | 120.9° | 119.3° |
| O61 | C21 | C19 | C16 | 57.8° | 48.9° |
| O61 | C21 | C19 | C29 | 175.4° | 169.0° |
| O61 | C21 | C19 | H6 | 60.1° | 70.9° |
| O61 | C21 | C23 | H8 | 62.9° | 70.9° |
| C25 | C23 | C21 | H8 | 115.0° | 120.0° |
| C23 | C25 | S28 | H9 | 119.9° | 119.9° |
| C23 | C25 | S28 | H10 | 120.0° | 119.8° |
| C25 | C23 | C21 | C19 | 54.7° | 70.7° |
| C23 | C25 | S28 | O32 | 170.2° | 169.3° |
| C23 | C25 | S28 | C29 | 59.9° | 53.2° |
| C25 | C23 | C21 | H7 | 64.8° | 49.7° |
| C23 | C25 | H9 | H10 | 120.2° | 120.3° |
| C25 | C23 | N33 | H14 | 55.4° | 38.9° |
| C21 | C23 | C25 | S28 | 59.3° | 63.0° |
| C23 | C21 | C19 | H7 | 119.6° | 120.4° |
| C23 | C21 | C19 | C16 | 177.4° | 169.1° |
| C23 | C21 | C19 | C29 | 55.9° | 70.7° |
| C23 | C21 | C19 | H6 | 59.5° | 49.3° |
| C21 | C23 | C25 | H9 | 179.2° | 177.1° |
| C21 | C23 | C25 | H10 | 60.7° | 56.8° |
| C21 | C23 | N33 | H14 | 76.3° | 81.6° |
| C23 | C21 | O61 | H31 | 180.0° | 58.7° |
| C25 | S28 | O32 | C29 | 104.6° | 111.3° |
| C25 | S28 | C29 | C19 | 64.7° | 53.2° |
| S28 | C25 | C23 | H8 | 55.7° | 57.1° |
| S28 | C25 | H9 | H10 | 120.2° | 120.3° |
| C25 | S28 | C29 | H11 | 175.2° | 66.5° |
| C25 | S28 | C29 | H12 | 55.4° | 173.0° |
| C21 | C19 | C29 | S28 | 65.2° | 63.0° |
| C21 | C19 | C16 | C29 | 126.1° | 120.5° |
| C21 | C19 | C16 | H6 | 118.0° | 119.8° |
| C21 | C19 | C29 | H6 | 115.4° | 120.1° |
| C21 | C19 | C16 | C13 | 173.4° | 174.5° |
| C21 | C19 | C16 | H4 | 53.0° | 54.5° |
| C21 | C19 | C16 | H5 | 66.3° | 65.5° |
| C19 | C21 | C23 | H8 | 60.3° | 49.4° |
| C21 | C19 | C29 | H11 | 174.7° | 56.8° |
| C21 | C19 | C29 | H12 | 54.9° | 177.2° |
| C19 | C21 | O61 | H31 | 56.2° | 179.9° |
| F63 | C10 | C11 | C9 | 179.7° | 180.0° |
| F63 | C10 | C11 | C13 | 179.7° | 180.0° |
| F63 | C10 | C9 | N64 | 0.4° | 0.0° |
| F63 | C10 | C9 | C8 | 179.8° | 180.0° |
| F63 | C10 | C11 | H2 | 0.3° | 0.0° |
| O32 | S28 | C29 | C19 | 175.1° | 169.3° |
| O32 | S28 | C25 | H9 | 69.8° | 70.9° |
| O32 | S28 | C25 | H10 | 50.3° | 49.5° |
| O32 | S28 | C29 | H11 | 64.8° | 49.5° |
| O32 | S28 | C29 | H12 | 55.0° | 71.0° |
| S28 | C29 | C19 | C16 | 166.1° | 176.8° |
| S28 | C29 | C19 | H11 | 120.1° | 119.8° |
| S28 | C29 | C19 | H12 | 120.1° | 119.8° |
| S28 | C29 | C19 | H6 | 50.2° | 57.1° |
| C29 | S28 | C25 | H9 | 179.8° | 173.1° |
| C29 | S28 | C25 | H10 | 60.1° | 66.6° |
| S28 | C29 | H11 | H12 | 119.7° | 120.3° |
| C16 | C19 | C29 | H6 | 115.9° | 119.8° |
| C19 | C16 | C13 | C11 | 73.5° | 90.0° |
| C19 | C16 | C13 | H4 | 120.4° | 120.0° |
| C19 | C16 | C13 | H5 | 120.4° | 120.0° |
| C19 | C16 | C13 | C14 | 105.7° | 89.7° |
| C19 | C16 | H4 | H5 | 118.8° | 120.0° |
| C16 | C19 | C21 | H7 | 63.1° | 70.4° |
| C16 | C19 | C29 | H11 | 46.0° | 63.4° |
| C16 | C19 | C29 | H12 | 73.8° | 57.0° |
| C29 | C19 | C16 | C13 | 47.3° | 65.0° |
| C29 | C19 | C16 | H4 | 73.1° | 175.0° |
| C29 | C19 | C16 | H5 | 167.6° | 55.0° |
| C29 | C19 | C21 | H7 | 63.7° | 49.7° |
| C19 | C29 | H11 | H12 | 119.7° | 120.3° |
| C10 | C11 | C13 | H2 | 180.0° | 180.0° |
| C10 | C11 | C13 | C16 | 178.5° | 179.9° |
| C10 | C11 | C13 | C14 | 0.6° | 0.3° |
| C11 | C10 | C9 | N64 | 179.3° | 180.0° |
| C11 | C10 | C9 | C8 | 0.5° | 0.0° |
| C13 | C11 | C10 | C9 | 0.0° | 0.0° |
| C11 | C13 | C16 | C14 | 179.1° | 179.8° |
| C11 | C13 | C14 | C8 | 0.8° | 0.6° |
| C11 | C13 | C14 | H3 | 179.2° | 180.0° |
| C11 | C13 | C16 | H4 | 166.1° | 150.0° |
| C11 | C13 | C16 | H5 | 46.9° | 30.0° |
| C10 | C9 | N64 | C8 | 179.8° | 180.0° |
| C10 | C9 | C8 | C14 | 0.4° | 0.2° |
| C10 | C9 | C8 | O7 | 179.9° | 180.0° |
| C9 | C10 | C11 | H2 | 180.0° | 180.0° |
| C10 | C9 | N64 | H32 | 180.0° | 180.0° |
| C10 | C9 | N64 | H33 | 60.0° | 0.1° |
| C16 | C13 | C14 | C8 | 178.4° | 179.7° |
| C16 | C13 | C11 | H2 | 1.5° | 0.0° |
| C16 | C13 | C14 | H3 | 1.6° | 0.2° |
| C13 | C16 | H4 | H5 | 118.7° | 120.0° |
| C13 | C16 | C19 | H6 | 68.7° | 54.8° |
| C13 | C14 | C8 | C9 | 0.3° | 0.5° |
| C13 | C14 | C8 | H3 | 180.0° | 179.5° |
| C13 | C14 | C8 | O7 | 179.2° | 179.7° |
| C14 | C13 | C11 | H2 | 179.3° | 179.7° |
| C14 | C13 | C16 | H4 | 14.7° | 30.3° |
| C14 | C13 | C16 | H5 | 133.9° | 150.3° |
| N64 | C9 | C8 | C14 | 179.4° | 179.8° |
| N64 | C9 | C8 | O7 | 0.1° | 0.0° |
| C9 | N64 | H32 | H33 | 120.0° | 179.9° |
| C9 | C8 | C14 | O7 | 179.5° | 179.8° |
| C9 | C8 | O7 | C5 | 128.7° | 174.2° |
| C9 | C8 | C14 | H3 | 179.7° | 180.0° |
| C8 | C9 | N64 | H32 | 0.2° | 0.0° |
| C8 | C9 | N64 | H33 | 120.2° | 180.0° |
| C14 | C8 | O7 | C5 | 50.8° | 5.6° |
| C8 | O7 | C5 | C2 | 106.2° | 91.8° |
| C8 | O7 | C5 | C67 | 127.5° | 148.2° |
| C8 | O7 | C5 | H1 | 12.0° | 28.2° |
| O7 | C8 | C14 | H3 | 0.8° | 0.2° |
| F3 | C2 | C5 | O7 | 56.0° | 180.0° |
| F3 | C2 | C5 | F1 | 117.8° | 120.0° |
| F3 | C2 | C5 | F4 | 119.8° | 120.0° |
| F3 | C2 | C5 | C67 | 176.5° | 60.0° |
| F3 | C2 | F1 | F4 | 117.8° | 120.0° |
| F3 | C2 | C5 | H1 | 63.0° | 60.0° |
| O7 | C5 | C2 | C67 | 120.6° | 120.0° |
| O7 | C5 | C2 | H1 | 119.0° | 119.9° |
| O7 | C5 | C67 | H1 | 116.4° | 120.0° |
| O7 | C5 | C2 | F1 | 173.7° | 60.0° |
| O7 | C5 | C2 | F4 | 63.8° | 60.0° |
| O7 | C5 | C67 | F70 | 65.9° | 60.0° |
| O7 | C5 | C67 | F69 | 52.9° | 180.0° |
| O7 | C5 | C67 | F68 | 175.0° | 60.0° |
| C2 | C5 | C67 | H1 | 120.5° | 120.0° |
| C5 | C2 | F1 | F4 | 123.1° | 120.0° |
| C2 | C5 | C67 | F70 | 171.0° | 180.0° |
| C2 | C5 | C67 | F69 | 70.2° | 60.0° |
| C2 | C5 | C67 | F68 | 51.8° | 60.0° |
| C67 | C5 | C2 | F1 | 65.7° | 60.0° |
| C67 | C5 | C2 | F4 | 56.7° | 179.9° |
| C5 | C67 | F70 | F69 | 120.3° | 120.0° |
| C5 | C67 | F70 | F68 | 120.9° | 120.0° |
| C5 | C67 | F69 | F68 | 122.5° | 120.0° |
| F1 | C2 | C5 | H1 | 54.7° | 180.0° |
| F4 | C2 | C5 | H1 | 177.2° | 59.9° |
| F70 | C67 | F69 | F68 | 117.5° | 120.0° |
| F70 | C67 | C5 | H1 | 50.5° | 60.0° |
| F69 | C67 | C5 | H1 | 169.3° | 60.0° |
| F68 | C67 | C5 | H1 | 68.6° | 179.9° |
| H4 | C16 | C19 | H6 | 170.9° | 65.3° |
| H5 | C16 | C19 | H6 | 51.7° | 174.7° |
| H6 | C19 | C21 | H7 | 179.0° | 169.8° |
| H6 | C19 | C29 | H11 | 69.9° | 176.9° |
| H6 | C19 | C29 | H12 | 170.3° | 62.7° |
| H7 | C21 | C23 | H8 | 179.8° | 169.7° |
| H7 | C21 | O61 | H31 | 63.8° | 60.7° |
| H8 | C23 | C25 | H9 | 64.2° | 62.8° |
| H8 | C23 | C25 | H10 | 175.6° | 176.9° |
| H8 | C23 | N33 | H14 | 169.2° | 158.6° |
| H14 | N33 | C35 | H16 | 54.5° | 63.9° |
| H14 | N33 | C35 | H17 | 65.5° | 176.1° |
| H19 | C42 | C44 | H20 | 0.1° | 0.0° |
| H20 | C44 | C46 | H21 | 0.0° | 0.3° |
| H22 | C49 | H23 | H24 | 120.0° | 120.0° |
| H25 | C53 | H26 | H27 | 120.0° | 120.1° |
| H28 | C57 | H29 | H30 | 119.9° | 120.0° |
