Y2R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | O6 | sing | 1.36Å | 1.37Å | |
| O6 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | N9 | sing | 1.47Å | 1.50Å | |
| N9 | C10 | sing | 1.47Å | 1.49Å | |
| N9 | C11 | sing | 1.47Å | 1.49Å | |
| C5 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.50Å | |
| C14 | O15 | doub | 1.22Å | 1.23Å | |
| C14 | N16 | sing | 1.35Å | 1.34Å | |
| N16 | C17 | sing | 1.46Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.47Å | |
| C22 | C23 | doub | 1.35Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | C25 | doub | 1.34Å | 1.35Å | Aromatic |
| C25 | S26 | sing | 1.76Å | 1.70Å | Aromatic |
| C21 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.48Å | 1.47Å | |
| C29 | C30 | doub | 1.35Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.34Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.47Å | |
| C33 | N34 | sing | 1.47Å | 1.48Å | |
| C32 | S35 | sing | 1.76Å | 1.73Å | Aromatic |
| C28 | C36 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C36 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| S26 | C22 | sing | 1.76Å | 1.71Å | Aromatic |
| S35 | C29 | sing | 1.76Å | 1.73Å | Aromatic |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18C | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| N16 | H16 | sing | 0.97Å | 1.00Å | |
| N34 | H34B | sing | 1.01Å | 1.00Å | |
| N34 | H34C | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C1 | C2 | C13 | 122.4° | 120.1° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C2 | C3 | C4 | 122.0° | 120.2° |
| C3 | C2 | C13 | 118.0° | 120.0° |
| C2 | C3 | H3 | 119.0° | 120.0° |
| C3 | C4 | C5 | 119.5° | 120.2° |
| C4 | C3 | H3 | 119.0° | 119.8° |
| C3 | C4 | H4 | 120.2° | 119.9° |
| C4 | C5 | O6 | 118.7° | 119.9° |
| C4 | C5 | C12 | 120.2° | 120.0° |
| C5 | C4 | H4 | 120.2° | 119.9° |
| C5 | O6 | C7 | 118.0° | 117.0° |
| O6 | C5 | C12 | 121.1° | 120.0° |
| O6 | C7 | C8 | 106.0° | 109.5° |
| O6 | C7 | H7A | 110.3° | 109.5° |
| O6 | C7 | H7B | 110.3° | 109.5° |
| C7 | C8 | N9 | 113.9° | 109.5° |
| C8 | C7 | H7A | 110.3° | 109.5° |
| C8 | C7 | H7B | 110.3° | 109.5° |
| C7 | C8 | H8A | 108.4° | 109.5° |
| C7 | C8 | H8B | 108.3° | 109.5° |
| C8 | N9 | C10 | 112.4° | 111.0° |
| C8 | N9 | C11 | 111.8° | 111.0° |
| N9 | C8 | H8A | 108.4° | 109.4° |
| N9 | C8 | H8B | 108.3° | 109.5° |
| C10 | N9 | C11 | 110.6° | 111.0° |
| N9 | C10 | H10B | 109.5° | 109.5° |
| N9 | C10 | H10A | 109.5° | 109.5° |
| N9 | C10 | H10C | 109.5° | 109.5° |
| N9 | C11 | H11B | 109.5° | 109.5° |
| N9 | C11 | H11C | 109.5° | 109.5° |
| N9 | C11 | H11A | 109.5° | 109.5° |
| C5 | C12 | C13 | 120.2° | 119.8° |
| C5 | C12 | H12 | 119.9° | 120.1° |
| C12 | C13 | C14 | 119.2° | 120.1° |
| C12 | C13 | C2 | 120.1° | 119.8° |
| C13 | C12 | H12 | 119.9° | 120.1° |
| C13 | C14 | O15 | 120.8° | 120.0° |
| C13 | C14 | N16 | 117.0° | 120.0° |
| C14 | C13 | C2 | 120.7° | 120.1° |
| O15 | C14 | N16 | 122.2° | 120.0° |
| C14 | N16 | C17 | 121.8° | 120.0° |
| C14 | N16 | H16 | 119.1° | 120.0° |
| N16 | C17 | C18 | 109.3° | 109.5° |
| N16 | C17 | C19 | 111.9° | 109.5° |
| N16 | C17 | H17 | 108.2° | 109.5° |
| C17 | N16 | H16 | 119.1° | 120.1° |
| C18 | C17 | C19 | 112.1° | 109.5° |
| C18 | C17 | H17 | 107.5° | 109.5° |
| C17 | C18 | H18C | 109.5° | 109.5° |
| C17 | C18 | H18B | 109.4° | 109.5° |
| C17 | C18 | H18A | 109.4° | 109.5° |
| C17 | C19 | C20 | 120.9° | 119.8° |
| C17 | C19 | C36 | 120.5° | 119.8° |
| C19 | C17 | H17 | 107.6° | 109.5° |
| C19 | C20 | C21 | 121.1° | 120.1° |
| C20 | C19 | C36 | 118.6° | 120.3° |
| C19 | C20 | H20 | 119.4° | 119.9° |
| C20 | C21 | C22 | 120.1° | 120.1° |
| C20 | C21 | C27 | 119.5° | 119.9° |
| C21 | C20 | H20 | 119.4° | 119.9° |
| C21 | C22 | C23 | 128.2° | 125.3° |
| C22 | C21 | C27 | 120.4° | 120.1° |
| C21 | C22 | S26 | 121.4° | 125.3° |
| C22 | C23 | C24 | 112.5° | 114.7° |
| C23 | C22 | S26 | 110.4° | 109.5° |
| C22 | C23 | H23 | 123.8° | 122.6° |
| C23 | C24 | C25 | 112.4° | 115.1° |
| C24 | C23 | H23 | 123.8° | 122.6° |
| C23 | C24 | H24 | 123.8° | 122.5° |
| C24 | C25 | S26 | 112.4° | 109.7° |
| C25 | C24 | H24 | 123.8° | 122.5° |
| C24 | C25 | H25 | 123.8° | 125.1° |
| C25 | S26 | C22 | 92.4° | 91.0° |
| S26 | C25 | H25 | 123.8° | 125.1° |
| C21 | C27 | C28 | 120.1° | 119.7° |
| C21 | C27 | H27 | 120.0° | 120.1° |
| C27 | C28 | C29 | 120.3° | 120.1° |
| C27 | C28 | C36 | 119.5° | 119.9° |
| C28 | C27 | H27 | 120.0° | 120.2° |
| C28 | C29 | C30 | 128.7° | 125.3° |
| C29 | C28 | C36 | 120.2° | 120.1° |
| C28 | C29 | S35 | 121.1° | 125.3° |
| C29 | C30 | C31 | 113.4° | 114.8° |
| C30 | C29 | S35 | 110.3° | 109.4° |
| C29 | C30 | H30 | 123.3° | 122.6° |
| C30 | C31 | C32 | 113.4° | 115.0° |
| C31 | C30 | H30 | 123.3° | 122.6° |
| C30 | C31 | H31 | 123.3° | 122.5° |
| C31 | C32 | C33 | 127.7° | 125.1° |
| C31 | C32 | S35 | 110.5° | 109.8° |
| C32 | C31 | H31 | 123.3° | 122.5° |
| C32 | C33 | N34 | 111.4° | 109.5° |
| C33 | C32 | S35 | 121.9° | 125.2° |
| C32 | C33 | H33B | 109.0° | 109.5° |
| C32 | C33 | H33A | 109.0° | 109.5° |
| N34 | C33 | H33B | 109.0° | 109.4° |
| N34 | C33 | H33A | 109.0° | 109.5° |
| C33 | N34 | H34B | 109.5° | 111.0° |
| C33 | N34 | H34C | 109.5° | 111.0° |
| C32 | S35 | C29 | 92.5° | 91.0° |
| C28 | C36 | C19 | 121.1° | 120.1° |
| C28 | C36 | H36 | 119.4° | 119.9° |
| C19 | C36 | H36 | 119.5° | 119.9° |
| H1B | C1 | H1C | 109.5° | 109.4° |
| H1B | C1 | H1A | 109.5° | 109.4° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.4° |
| H8A | C8 | H8B | 109.5° | 109.4° |
| H10B | C10 | H10A | 109.5° | 109.5° |
| H10B | C10 | H10C | 109.5° | 109.4° |
| H10A | C10 | H10C | 109.4° | 109.5° |
| H11B | C11 | H11C | 109.4° | 109.5° |
| H11B | C11 | H11A | 109.4° | 109.4° |
| H11C | C11 | H11A | 109.5° | 109.5° |
| H18C | C18 | H18B | 109.5° | 109.4° |
| H18C | C18 | H18A | 109.5° | 109.5° |
| H18B | C18 | H18A | 109.5° | 109.4° |
| H33B | C33 | H33A | 109.5° | 109.5° |
| H34B | N34 | H34C | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C13 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C1 | C2 | C13 | C12 | 179.7° | 179.7° |
| C1 | C2 | C13 | C14 | 2.1° | 0.3° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C2 | C1 | H1C | H1A | 120.0° | 120.1° |
| C1 | C2 | C3 | H3 | 0.2° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C3 | C2 | C13 | C12 | 0.2° | 0.6° |
| C3 | C2 | C13 | C14 | 178.0° | 180.0° |
| C3 | C2 | C1 | H1B | 90.1° | 97.2° |
| C3 | C2 | C1 | H1C | 149.9° | 142.9° |
| C3 | C2 | C1 | H1A | 29.9° | 22.8° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | O6 | 179.9° | 180.0° |
| C3 | C4 | C5 | C12 | 0.0° | 0.1° |
| C4 | C3 | C2 | C13 | 0.1° | 0.3° |
| C4 | C5 | O6 | C12 | 179.9° | 179.9° |
| C4 | C5 | O6 | C7 | 177.7° | 0.1° |
| C4 | C5 | C12 | C13 | 0.1° | 0.4° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C4 | C5 | C12 | H12 | 179.9° | 180.0° |
| C5 | O6 | C7 | C8 | 167.4° | 180.0° |
| O6 | C5 | C12 | C13 | 179.8° | 179.7° |
| O6 | C5 | C4 | H4 | 0.2° | 0.1° |
| C5 | O6 | C7 | H7A | 73.2° | 60.0° |
| C5 | O6 | C7 | H7B | 48.0° | 60.0° |
| O6 | C5 | C12 | H12 | 0.2° | 0.1° |
| O6 | C7 | C8 | H7A | 119.5° | 120.0° |
| O6 | C7 | C8 | H7B | 119.4° | 120.0° |
| O6 | C7 | C8 | N9 | 83.2° | 62.6° |
| C7 | O6 | C5 | C12 | 2.4° | 180.0° |
| O6 | C7 | H7A | H7B | 121.6° | 120.0° |
| O6 | C7 | C8 | H8A | 156.1° | 177.4° |
| O6 | C7 | C8 | H8B | 37.4° | 57.4° |
| C7 | C8 | N9 | H8A | 120.7° | 120.0° |
| C7 | C8 | N9 | H8B | 120.6° | 120.0° |
| C7 | C8 | N9 | C10 | 24.5° | 76.2° |
| C7 | C8 | N9 | C11 | 100.5° | 159.9° |
| C8 | C7 | H7A | H7B | 121.6° | 120.0° |
| C7 | C8 | H8A | H8B | 118.0° | 120.0° |
| C8 | N9 | C10 | C11 | 125.7° | 124.0° |
| N9 | C8 | C7 | H7A | 36.2° | 177.3° |
| N9 | C8 | C7 | H7B | 157.3° | 57.4° |
| N9 | C8 | H8A | H8B | 118.0° | 120.0° |
| C8 | N9 | C10 | H10B | 180.0° | 60.0° |
| C8 | N9 | C10 | H10A | 60.0° | 180.0° |
| C8 | N9 | C10 | H10C | 60.0° | 60.0° |
| C8 | N9 | C11 | H11B | 180.0° | 55.3° |
| C8 | N9 | C11 | H11C | 60.0° | 175.3° |
| C8 | N9 | C11 | H11A | 60.0° | 64.7° |
| C10 | N9 | C8 | H8A | 96.2° | 43.9° |
| C10 | N9 | C8 | H8B | 145.2° | 163.8° |
| N9 | C10 | H10B | H10A | 120.0° | 120.0° |
| N9 | C10 | H10B | H10C | 120.0° | 120.0° |
| N9 | C10 | H10A | H10C | 120.0° | 120.0° |
| C10 | N9 | C11 | H11B | 54.0° | 179.3° |
| C10 | N9 | C11 | H11C | 174.0° | 60.7° |
| C10 | N9 | C11 | H11A | 66.0° | 59.3° |
| C11 | N9 | C8 | H8A | 138.8° | 80.1° |
| C11 | N9 | C8 | H8B | 20.1° | 39.8° |
| C11 | N9 | C10 | H10B | 54.3° | 64.0° |
| C11 | N9 | C10 | H10A | 65.7° | 56.1° |
| C11 | N9 | C10 | H10C | 174.3° | 176.1° |
| N9 | C11 | H11B | H11C | 120.0° | 120.0° |
| N9 | C11 | H11B | H11A | 120.0° | 120.0° |
| N9 | C11 | H11C | H11A | 120.0° | 120.0° |
| C5 | C12 | C13 | H12 | 180.0° | 179.6° |
| C5 | C12 | C13 | C14 | 178.0° | 180.0° |
| C5 | C12 | C13 | C2 | 0.2° | 0.7° |
| C12 | C5 | C4 | H4 | 179.9° | 179.9° |
| C12 | C13 | C14 | C2 | 178.2° | 179.3° |
| C12 | C13 | C14 | O15 | 103.9° | 174.8° |
| C12 | C13 | C14 | N16 | 76.1° | 5.3° |
| C13 | C14 | O15 | N16 | 179.9° | 180.0° |
| C13 | C14 | N16 | C17 | 179.3° | 180.0° |
| C14 | C13 | C12 | H12 | 2.0° | 0.4° |
| C13 | C14 | N16 | H16 | 0.6° | 0.1° |
| O15 | C14 | N16 | C17 | 0.6° | 0.0° |
| O15 | C14 | C13 | C2 | 74.3° | 4.6° |
| O15 | C14 | N16 | H16 | 179.4° | 180.0° |
| C14 | N16 | C17 | H16 | 180.0° | 180.0° |
| C14 | N16 | C17 | C18 | 156.8° | 85.0° |
| C14 | N16 | C17 | C19 | 78.4° | 155.0° |
| N16 | C14 | C13 | C2 | 105.7° | 175.4° |
| C14 | N16 | C17 | H17 | 40.0° | 35.0° |
| N16 | C17 | C18 | C19 | 124.7° | 120.0° |
| N16 | C17 | C18 | H17 | 117.2° | 120.0° |
| N16 | C17 | C19 | H17 | 118.8° | 120.0° |
| N16 | C17 | C19 | C20 | 118.9° | 40.0° |
| N16 | C17 | C19 | C36 | 61.8° | 140.3° |
| N16 | C17 | C18 | H18C | 180.0° | 60.0° |
| N16 | C17 | C18 | H18B | 60.0° | 60.0° |
| N16 | C17 | C18 | H18A | 60.0° | 180.0° |
| C18 | C17 | C19 | H17 | 118.0° | 120.0° |
| C18 | C17 | C19 | C20 | 117.8° | 80.0° |
| C18 | C17 | C19 | C36 | 61.4° | 99.7° |
| C17 | C18 | H18C | H18B | 120.0° | 120.0° |
| C17 | C18 | H18C | H18A | 120.0° | 120.1° |
| C17 | C18 | H18B | H18A | 119.9° | 120.0° |
| C18 | C17 | N16 | H16 | 23.2° | 95.0° |
| C17 | C19 | C20 | C36 | 179.3° | 179.7° |
| C17 | C19 | C20 | C21 | 179.2° | 180.0° |
| C17 | C19 | C36 | C28 | 179.3° | 179.7° |
| C19 | C17 | C18 | H18C | 55.3° | 60.0° |
| C19 | C17 | C18 | H18B | 64.7° | 180.0° |
| C19 | C17 | C18 | H18A | 175.3° | 60.0° |
| C17 | C19 | C20 | H20 | 0.8° | 0.1° |
| C17 | C19 | C36 | H36 | 0.8° | 0.3° |
| C19 | C17 | N16 | H16 | 101.6° | 25.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 179.4° | 179.9° |
| C19 | C20 | C21 | C27 | 0.2° | 0.0° |
| C20 | C19 | C36 | C28 | 0.0° | 0.6° |
| C20 | C19 | C17 | H17 | 0.2° | 160.1° |
| C20 | C19 | C36 | H36 | 180.0° | 180.0° |
| C20 | C21 | C22 | C27 | 179.6° | 180.0° |
| C20 | C21 | C22 | C23 | 179.9° | 180.0° |
| C20 | C21 | C27 | C28 | 0.1° | 0.0° |
| C21 | C20 | C19 | C36 | 0.1° | 0.3° |
| C20 | C21 | C22 | S26 | 0.2° | 0.3° |
| C20 | C21 | C27 | H27 | 179.9° | 179.9° |
| C21 | C22 | C23 | S26 | 179.7° | 179.8° |
| C21 | C22 | C23 | C24 | 179.8° | 180.0° |
| C21 | C22 | S26 | C25 | 179.8° | 179.9° |
| C22 | C21 | C27 | C28 | 179.4° | 180.0° |
| C22 | C21 | C20 | H20 | 0.6° | 0.0° |
| C21 | C22 | C23 | H23 | 0.2° | 0.0° |
| C22 | C21 | C27 | H27 | 0.5° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C22 | S26 | C25 | 0.0° | 0.4° |
| C23 | C22 | C21 | C27 | 0.3° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | S26 | 0.0° | 0.3° |
| C24 | C23 | C22 | S26 | 0.0° | 0.3° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| C24 | C25 | S26 | H25 | 180.0° | 179.7° |
| C24 | C25 | S26 | C22 | 0.0° | 0.4° |
| C25 | C24 | C23 | H23 | 179.9° | 179.9° |
| S26 | C25 | C24 | H24 | 180.0° | 179.8° |
| C21 | C27 | C28 | H27 | 180.0° | 179.9° |
| C21 | C27 | C28 | C29 | 178.8° | 180.0° |
| C21 | C27 | C28 | C36 | 0.0° | 0.3° |
| C27 | C21 | C22 | S26 | 179.4° | 179.7° |
| C27 | C21 | C20 | H20 | 179.8° | 180.0° |
| C27 | C28 | C29 | C36 | 178.8° | 179.7° |
| C27 | C28 | C29 | C30 | 175.5° | 0.0° |
| C27 | C28 | C36 | C19 | 0.0° | 0.6° |
| C27 | C28 | C29 | S35 | 5.8° | 179.6° |
| C27 | C28 | C36 | H36 | 180.0° | 180.0° |
| C28 | C29 | C30 | S35 | 178.9° | 179.7° |
| C28 | C29 | C30 | C31 | 178.8° | 180.0° |
| C28 | C29 | S35 | C32 | 178.9° | 179.9° |
| C29 | C28 | C36 | C19 | 178.8° | 179.7° |
| C29 | C28 | C27 | H27 | 1.2° | 0.1° |
| C28 | C29 | C30 | H30 | 1.2° | 0.1° |
| C29 | C28 | C36 | H36 | 1.2° | 0.3° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.0° | 0.1° |
| C30 | C29 | S35 | C32 | 0.1° | 0.4° |
| C30 | C29 | C28 | C36 | 5.8° | 179.7° |
| C29 | C30 | C31 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 179.8° | 179.9° |
| C30 | C31 | C32 | S35 | 0.0° | 0.2° |
| C31 | C30 | C29 | S35 | 0.1° | 0.3° |
| C31 | C32 | C33 | S35 | 179.8° | 179.7° |
| C31 | C32 | C33 | N34 | 157.6° | 90.1° |
| C31 | C32 | S35 | C29 | 0.0° | 0.3° |
| C32 | C31 | C30 | H30 | 180.0° | 180.0° |
| C31 | C32 | C33 | H33B | 82.1° | 150.0° |
| C31 | C32 | C33 | H33A | 37.3° | 29.9° |
| C32 | C33 | N34 | H33B | 120.3° | 120.0° |
| C32 | C33 | N34 | H33A | 120.3° | 120.0° |
| C33 | C32 | S35 | C29 | 179.8° | 179.9° |
| C33 | C32 | C31 | H31 | 0.3° | 0.0° |
| C32 | C33 | H33B | H33A | 119.1° | 120.1° |
| C32 | C33 | N34 | H34B | 180.0° | 56.0° |
| C32 | C33 | N34 | H34C | 60.0° | 180.0° |
| N34 | C33 | C32 | S35 | 22.6° | 89.7° |
| N34 | C33 | H33B | H33A | 119.1° | 120.0° |
| C33 | N34 | H34B | H34C | 120.0° | 124.0° |
| S35 | C32 | C31 | H31 | 180.0° | 179.8° |
| S35 | C32 | C33 | H33B | 97.7° | 30.3° |
| S35 | C32 | C33 | H33A | 142.9° | 150.3° |
| C28 | C36 | C19 | H36 | 180.0° | 179.4° |
| C36 | C28 | C29 | S35 | 173.0° | 0.0° |
| C36 | C28 | C27 | H27 | 180.0° | 179.8° |
| C13 | C2 | C1 | H1B | 90.0° | 83.1° |
| C13 | C2 | C1 | H1C | 29.9° | 36.8° |
| C13 | C2 | C1 | H1A | 149.9° | 156.9° |
| C13 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C13 | C12 | H12 | 179.8° | 179.7° |
| C36 | C19 | C17 | H17 | 179.4° | 20.3° |
| C36 | C19 | C20 | H20 | 179.9° | 179.7° |
| S26 | C22 | C23 | H23 | 179.9° | 179.8° |
| C22 | S26 | C25 | H25 | 180.0° | 180.0° |
| S35 | C29 | C30 | H30 | 179.9° | 179.8° |
| H1B | C1 | H1C | H1A | 120.0° | 119.9° |
| H3 | C3 | C4 | H4 | 0.0° | 0.1° |
| H7A | C7 | C8 | H8A | 84.5° | 57.3° |
| H7A | C7 | C8 | H8B | 156.8° | 62.6° |
| H7B | C7 | C8 | H8A | 36.6° | 62.6° |
| H7B | C7 | C8 | H8B | 82.1° | 177.4° |
| H10B | C10 | H10A | H10C | 120.0° | 119.9° |
| H11B | C11 | H11C | H11A | 120.0° | 120.0° |
| H17 | C17 | C18 | H18C | 62.8° | 180.0° |
| H17 | C17 | C18 | H18B | 177.2° | 60.0° |
| H17 | C17 | C18 | H18A | 57.3° | 60.0° |
| H17 | C17 | N16 | H16 | 140.0° | 145.0° |
| H18C | C18 | H18B | H18A | 120.0° | 119.9° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.1° |
| H30 | C30 | C31 | H31 | 0.0° | 0.0° |
| H33B | C33 | N34 | H34B | 59.7° | 63.9° |
| H33B | C33 | N34 | H34C | 179.7° | 60.0° |
| H33A | C33 | N34 | H34B | 59.8° | 176.0° |
| H33A | C33 | N34 | H34C | 60.3° | 60.0° |
