YJ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.46Å | |
| C1 | C5 | sing | 1.54Å | 1.53Å | |
| C1 | C6 | sing | 1.51Å | 1.53Å | |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| N2 | C21 | sing | 1.35Å | 1.37Å | |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C4 | S8 | sing | 1.81Å | 1.76Å | |
| C6 | O7 | doub | 1.21Å | 1.24Å | |
| C6 | N16 | sing | 1.35Å | 1.35Å | |
| S8 | C9 | sing | 1.76Å | 1.72Å | |
| S8 | O33 | doub | 1.42Å | 1.43Å | |
| S8 | O34 | doub | 1.42Å | 1.42Å | |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.69Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.41Å | |
| C17 | C18 | sing | 1.51Å | 1.47Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | N35 | doub | 1.28Å | 1.28Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C21 | O22 | doub | 1.21Å | 1.24Å | |
| C21 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C23 | C31 | sing | 1.53Å | 1.52Å | |
| C23 | C32 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | BR3 | sing | 1.89Å | 1.94Å | |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C25 | H36 | sing | 1.08Å | 1.08Å | |
| C26 | H37 | sing | 1.08Å | 1.08Å | |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C18 | H44 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N16 | H16 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| N35 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C5 | 104.3° | 107.3° |
| N2 | C1 | C6 | 114.4° | 109.9° |
| C1 | N2 | C3 | 113.2° | 108.7° |
| C1 | N2 | C21 | 120.8° | 125.6° |
| N2 | C1 | H1 | 109.8° | 109.9° |
| C5 | C1 | C6 | 109.8° | 109.9° |
| C1 | C5 | C4 | 103.3° | 103.0° |
| C5 | C1 | H1 | 114.5° | 109.9° |
| C1 | C5 | H51C | 111.6° | 110.7° |
| C1 | C5 | H52C | 111.6° | 110.7° |
| C1 | C6 | O7 | 121.0° | 120.0° |
| C1 | C6 | N16 | 114.3° | 120.0° |
| C6 | C1 | H1 | 104.4° | 110.0° |
| C3 | N2 | C21 | 124.5° | 125.7° |
| N2 | C3 | C4 | 102.7° | 104.9° |
| N2 | C3 | H31C | 111.8° | 110.4° |
| N2 | C3 | H32C | 111.8° | 110.4° |
| N2 | C21 | O22 | 117.7° | 120.0° |
| N2 | C21 | C23 | 118.3° | 119.9° |
| C3 | C4 | C5 | 104.0° | 101.6° |
| C3 | C4 | S8 | 114.2° | 111.0° |
| C4 | C3 | H31C | 111.8° | 110.3° |
| C4 | C3 | H32C | 111.8° | 110.4° |
| C3 | C4 | H4 | 110.0° | 111.0° |
| C5 | C4 | S8 | 109.4° | 111.0° |
| C4 | C5 | H51C | 111.6° | 110.8° |
| C4 | C5 | H52C | 111.6° | 110.7° |
| C5 | C4 | H4 | 114.8° | 111.0° |
| C4 | S8 | C9 | 103.5° | 104.4° |
| C4 | S8 | O33 | 107.1° | 110.5° |
| C4 | S8 | O34 | 108.1° | 110.6° |
| S8 | C4 | H4 | 104.7° | 110.9° |
| O7 | C6 | N16 | 124.7° | 120.0° |
| C6 | N16 | C17 | 124.4° | 120.0° |
| C6 | N16 | H16 | 117.8° | 120.0° |
| C9 | S8 | O33 | 111.7° | 104.3° |
| C9 | S8 | O34 | 107.9° | 104.3° |
| S8 | C9 | C10 | 126.8° | 120.0° |
| S8 | C9 | C14 | 116.6° | 120.0° |
| O33 | S8 | O34 | 117.6° | 121.0° |
| C10 | C9 | C14 | 116.6° | 120.0° |
| C9 | C10 | C11 | 122.0° | 120.0° |
| C9 | C10 | CL1 | 120.4° | 120.0° |
| C9 | C14 | C13 | 122.1° | 120.0° |
| C9 | C14 | H14 | 119.0° | 120.0° |
| C11 | C10 | CL1 | 117.5° | 120.0° |
| C10 | C11 | C12 | 119.7° | 120.0° |
| C10 | C11 | H11 | 120.2° | 120.0° |
| C11 | C12 | C13 | 119.5° | 120.0° |
| C12 | C11 | H11 | 120.2° | 120.0° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | H14 | 118.9° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| N16 | C17 | C18 | 115.2° | 115.5° |
| N16 | C17 | C19 | 116.3° | 117.5° |
| N16 | C17 | C20 | 115.2° | 117.5° |
| C17 | N16 | H16 | 117.9° | 120.0° |
| C18 | C17 | C19 | 119.5° | 117.5° |
| C18 | C17 | C20 | 120.8° | 117.5° |
| C17 | C18 | N35 | 125.3° | 120.0° |
| C17 | C18 | H44 | 117.4° | 120.0° |
| C19 | C17 | C20 | 58.0° | 60.0° |
| C17 | C19 | C20 | 60.6° | 60.0° |
| C17 | C19 | H191 | 130.6° | 117.5° |
| C17 | C19 | H192 | 130.6° | 117.5° |
| C17 | C20 | C19 | 61.4° | 60.0° |
| C17 | C20 | H201 | 130.1° | 117.5° |
| C17 | C20 | H202 | 130.1° | 117.5° |
| N35 | C18 | H44 | 117.4° | 120.0° |
| C18 | N35 | H35 | 112.0° | 120.0° |
| C20 | C19 | H191 | 130.6° | 117.5° |
| C20 | C19 | H192 | 130.6° | 117.5° |
| C19 | C20 | H201 | 130.1° | 117.6° |
| C19 | C20 | H202 | 130.1° | 117.5° |
| O22 | C21 | C23 | 124.0° | 120.1° |
| C21 | C23 | C24 | 112.1° | 115.6° |
| C21 | C23 | C31 | 115.2° | 117.5° |
| C21 | C23 | C32 | 116.9° | 117.5° |
| C24 | C23 | C31 | 122.4° | 117.5° |
| C24 | C23 | C32 | 121.7° | 117.5° |
| C23 | C24 | C25 | 119.7° | 120.0° |
| C23 | C24 | C29 | 121.3° | 120.0° |
| C31 | C23 | C32 | 59.2° | 60.0° |
| C23 | C31 | C32 | 59.7° | 60.0° |
| C23 | C31 | H40 | 131.1° | 117.5° |
| C23 | C31 | H41 | 131.0° | 117.5° |
| C23 | C32 | C31 | 61.0° | 60.0° |
| C23 | C32 | H42 | 130.3° | 117.5° |
| C23 | C32 | H43 | 130.3° | 117.6° |
| C25 | C24 | C29 | 118.9° | 120.0° |
| C24 | C25 | C26 | 121.0° | 120.0° |
| C24 | C25 | H36 | 119.5° | 120.0° |
| C24 | C29 | C28 | 120.0° | 120.0° |
| C24 | C29 | H39 | 120.0° | 119.9° |
| C25 | C26 | C27 | 119.7° | 120.0° |
| C26 | C25 | H36 | 119.5° | 120.0° |
| C25 | C26 | H37 | 120.1° | 119.9° |
| C26 | C27 | C28 | 119.7° | 120.0° |
| C26 | C27 | BR3 | 118.6° | 120.0° |
| C27 | C26 | H37 | 120.1° | 120.0° |
| C28 | C27 | BR3 | 121.7° | 120.0° |
| C27 | C28 | C29 | 120.6° | 120.0° |
| C27 | C28 | H38 | 119.7° | 120.0° |
| C29 | C28 | H38 | 119.7° | 120.0° |
| C28 | C29 | H39 | 120.0° | 120.0° |
| C32 | C31 | H40 | 131.1° | 117.5° |
| C32 | C31 | H41 | 131.0° | 117.5° |
| C31 | C32 | H42 | 130.3° | 117.5° |
| C31 | C32 | H43 | 130.3° | 117.5° |
| H40 | C31 | H41 | 81.5° | 115.6° |
| H42 | C32 | H43 | 82.6° | 115.5° |
| H51C | C5 | H52C | 107.3° | 110.7° |
| H31C | C3 | H32C | 107.1° | 110.4° |
| H191 | C19 | H192 | 82.3° | 115.6° |
| H201 | C20 | H202 | 83.0° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C5 | C6 | 123.0° | 119.4° |
| N2 | C1 | C5 | H1 | 120.0° | 119.4° |
| N2 | C1 | C6 | H1 | 120.1° | 121.1° |
| C1 | N2 | C3 | C21 | 166.0° | 180.0° |
| C1 | N2 | C3 | C4 | 13.1° | 24.1° |
| N2 | C1 | C5 | C4 | 27.5° | 22.1° |
| N2 | C1 | C6 | O7 | 58.6° | 0.0° |
| N2 | C1 | C6 | N16 | 122.8° | 180.0° |
| C1 | N2 | C21 | O22 | 0.1° | 4.7° |
| C1 | N2 | C21 | C23 | 179.9° | 175.3° |
| N2 | C1 | C5 | H51C | 92.5° | 140.6° |
| N2 | C1 | C5 | H52C | 147.5° | 96.2° |
| C1 | N2 | C3 | H31C | 133.0° | 94.7° |
| C1 | N2 | C3 | H32C | 107.0° | 143.0° |
| C5 | C1 | C6 | H1 | 123.1° | 121.2° |
| C5 | C1 | N2 | C3 | 9.1° | 1.1° |
| C5 | C1 | N2 | C21 | 175.6° | 178.9° |
| C1 | C5 | C4 | C3 | 35.7° | 35.5° |
| C1 | C5 | C4 | H51C | 120.0° | 118.4° |
| C1 | C5 | C4 | H52C | 120.0° | 118.3° |
| C1 | C5 | C4 | S8 | 86.8° | 153.5° |
| C5 | C1 | C6 | O7 | 58.2° | 117.7° |
| C5 | C1 | C6 | N16 | 120.3° | 62.2° |
| C1 | C5 | H51C | H52C | 122.5° | 123.2° |
| C1 | C5 | C4 | H4 | 155.9° | 82.6° |
| C6 | C1 | N2 | C3 | 129.1° | 120.5° |
| C6 | C1 | N2 | C21 | 64.4° | 59.6° |
| C6 | C1 | C5 | C4 | 150.6° | 97.2° |
| C1 | C6 | O7 | N16 | 178.4° | 179.9° |
| C1 | C6 | N16 | C17 | 172.4° | 180.0° |
| C6 | C1 | C5 | H51C | 30.6° | 21.2° |
| C6 | C1 | C5 | H52C | 89.4° | 144.4° |
| C1 | C6 | N16 | H16 | 7.6° | 0.0° |
| N2 | C3 | C4 | H31C | 120.0° | 118.9° |
| N2 | C3 | C4 | H32C | 120.0° | 118.8° |
| N2 | C3 | C4 | C5 | 29.8° | 37.0° |
| N2 | C3 | C4 | S8 | 89.3° | 155.1° |
| C3 | N2 | C21 | O22 | 165.1° | 175.2° |
| C3 | N2 | C21 | C23 | 15.1° | 4.8° |
| C3 | N2 | C1 | H1 | 114.0° | 118.4° |
| N2 | C3 | H31C | H32C | 122.7° | 122.3° |
| N2 | C3 | C4 | H4 | 153.3° | 81.0° |
| C21 | N2 | C3 | C4 | 152.9° | 155.9° |
| N2 | C21 | O22 | C23 | 179.7° | 180.0° |
| N2 | C21 | C23 | C24 | 55.2° | 75.2° |
| N2 | C21 | C23 | C31 | 91.0° | 139.1° |
| N2 | C21 | C23 | C32 | 157.7° | 70.5° |
| C21 | N2 | C1 | H1 | 52.5° | 61.6° |
| C21 | N2 | C3 | H31C | 32.9° | 85.3° |
| C21 | N2 | C3 | H32C | 87.1° | 37.1° |
| C3 | C4 | C5 | S8 | 122.4° | 118.1° |
| C3 | C4 | C5 | H4 | 120.2° | 118.1° |
| C3 | C4 | S8 | H4 | 120.4° | 123.9° |
| C3 | C4 | S8 | C9 | 61.3° | 174.1° |
| C3 | C4 | S8 | O33 | 179.4° | 62.5° |
| C3 | C4 | S8 | O34 | 53.0° | 74.3° |
| C3 | C4 | C5 | H51C | 84.3° | 153.9° |
| C3 | C4 | C5 | H52C | 155.7° | 82.9° |
| C4 | C3 | H31C | H32C | 122.8° | 122.2° |
| C5 | C4 | S8 | H4 | 123.5° | 123.9° |
| C5 | C4 | S8 | C9 | 177.3° | 61.9° |
| C5 | C4 | S8 | O33 | 64.5° | 49.7° |
| C5 | C4 | S8 | O34 | 63.1° | 173.5° |
| C4 | C5 | C1 | H1 | 92.5° | 141.6° |
| C4 | C5 | H51C | H52C | 122.5° | 123.3° |
| C5 | C4 | C3 | H31C | 149.8° | 81.9° |
| C5 | C4 | C3 | H32C | 90.1° | 155.8° |
| C4 | S8 | C9 | O33 | 114.9° | 116.1° |
| C4 | S8 | C9 | O34 | 114.4° | 116.1° |
| C4 | S8 | O33 | O34 | 121.9° | 131.5° |
| C4 | S8 | C9 | C10 | 71.1° | 64.3° |
| C4 | S8 | C9 | C14 | 107.4° | 115.4° |
| S8 | C4 | C5 | H51C | 153.2° | 88.1° |
| S8 | C4 | C5 | H52C | 33.2° | 35.2° |
| S8 | C4 | C3 | H31C | 30.7° | 36.2° |
| S8 | C4 | C3 | H32C | 150.7° | 86.1° |
| O7 | C6 | N16 | C17 | 6.1° | 0.0° |
| O7 | C6 | C1 | H1 | 178.7° | 121.1° |
| O7 | C6 | N16 | H16 | 173.9° | 180.0° |
| C6 | N16 | C17 | H16 | 180.0° | 180.0° |
| C6 | N16 | C17 | C18 | 85.4° | 34.4° |
| C6 | N16 | C17 | C19 | 61.6° | 180.0° |
| C6 | N16 | C17 | C20 | 126.7° | 111.3° |
| N16 | C6 | C1 | H1 | 2.8° | 59.0° |
| C9 | S8 | O33 | O34 | 125.5° | 116.7° |
| S8 | C9 | C10 | C14 | 178.5° | 179.7° |
| S8 | C9 | C10 | C11 | 179.7° | 180.0° |
| S8 | C9 | C10 | CL1 | 2.4° | 0.1° |
| S8 | C9 | C14 | C13 | 178.8° | 179.7° |
| C9 | S8 | C4 | H4 | 59.1° | 62.0° |
| S8 | C9 | C14 | H14 | 1.2° | 0.0° |
| O33 | S8 | C9 | C10 | 43.8° | 179.6° |
| O33 | S8 | C9 | C14 | 137.7° | 0.7° |
| O33 | S8 | C4 | H4 | 59.0° | 173.6° |
| O34 | S8 | C9 | C10 | 174.5° | 51.7° |
| O34 | S8 | C9 | C14 | 7.0° | 128.5° |
| O34 | S8 | C4 | H4 | 173.4° | 49.6° |
| C9 | C10 | C11 | CL1 | 177.9° | 180.0° |
| C9 | C10 | C11 | C12 | 1.6° | 0.0° |
| C10 | C9 | C14 | C13 | 0.2° | 0.5° |
| C10 | C9 | C14 | H14 | 179.8° | 179.7° |
| C9 | C10 | C11 | H11 | 178.4° | 179.9° |
| C14 | C9 | C10 | C11 | 1.2° | 0.3° |
| C14 | C9 | C10 | CL1 | 179.1° | 179.8° |
| C9 | C14 | C13 | C12 | 0.5° | 0.6° |
| C9 | C14 | C13 | H14 | 180.0° | 179.7° |
| C9 | C14 | C13 | H13 | 179.5° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C10 | C11 | C12 | H12 | 179.1° | 180.0° |
| CL1 | C10 | C11 | C12 | 179.6° | 180.0° |
| CL1 | C10 | C11 | H11 | 0.4° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14 | 179.5° | 179.7° |
| C13 | C12 | C11 | H11 | 179.1° | 179.9° |
| C14 | C13 | C12 | H12 | 179.9° | 179.8° |
| N16 | C17 | C18 | C19 | 145.9° | 145.6° |
| N16 | C17 | C18 | C20 | 145.9° | 145.7° |
| N16 | C17 | C19 | C20 | 104.5° | 107.5° |
| N16 | C17 | C18 | N35 | 174.5° | 25.6° |
| N16 | C17 | C18 | H44 | 5.5° | 154.5° |
| N16 | C17 | C19 | H191 | 135.5° | 145.0° |
| N16 | C17 | C19 | H192 | 15.5° | 0.1° |
| N16 | C17 | C20 | H201 | 13.5° | 0.1° |
| N16 | C17 | C20 | H202 | 133.5° | 145.0° |
| C18 | C17 | C19 | C20 | 110.0° | 107.5° |
| C17 | C18 | N35 | H44 | 180.0° | 180.0° |
| C18 | C17 | N16 | H16 | 94.6° | 145.6° |
| C18 | C17 | C19 | H191 | 10.0° | 0.1° |
| C18 | C17 | C19 | H192 | 130.1° | 145.0° |
| C18 | C17 | C20 | H201 | 132.4° | 145.0° |
| C18 | C17 | C20 | H202 | 12.4° | 0.0° |
| C17 | C18 | N35 | H35 | 180.0° | 180.0° |
| C19 | C17 | C18 | N35 | 39.6° | 120.0° |
| C17 | C19 | C20 | H191 | 120.0° | 107.5° |
| C17 | C19 | C20 | H192 | 120.0° | 107.5° |
| C19 | C17 | C18 | H44 | 140.4° | 59.9° |
| C19 | C17 | N16 | H16 | 118.4° | 0.0° |
| C17 | C19 | H191 | H192 | 138.4° | 145.7° |
| C19 | C17 | C20 | H201 | 120.0° | 107.6° |
| C19 | C17 | C20 | H202 | 120.0° | 107.5° |
| C20 | C17 | C18 | N35 | 28.6° | 171.3° |
| C20 | C17 | C18 | H44 | 151.3° | 8.7° |
| C20 | C17 | N16 | H16 | 53.3° | 68.7° |
| C17 | C20 | H201 | H202 | 138.1° | 145.6° |
| C20 | C19 | H191 | H192 | 138.4° | 145.7° |
| C19 | C20 | H201 | H202 | 138.1° | 145.7° |
| O22 | C21 | C23 | C24 | 124.6° | 104.8° |
| O22 | C21 | C23 | C31 | 89.3° | 40.9° |
| O22 | C21 | C23 | C32 | 22.6° | 109.6° |
| C21 | C23 | C24 | C31 | 143.3° | 145.6° |
| C21 | C23 | C24 | C32 | 145.4° | 145.7° |
| C21 | C23 | C31 | C32 | 107.5° | 107.5° |
| C21 | C23 | C24 | C25 | 56.6° | 74.7° |
| C21 | C23 | C24 | C29 | 119.3° | 105.0° |
| C21 | C23 | C31 | H40 | 132.4° | 145.0° |
| C21 | C23 | C31 | H41 | 12.5° | 0.0° |
| C21 | C23 | C32 | H42 | 15.3° | 0.0° |
| C21 | C23 | C32 | H43 | 135.3° | 145.1° |
| C24 | C23 | C31 | C32 | 110.2° | 107.5° |
| C23 | C24 | C25 | C29 | 176.0° | 179.7° |
| C23 | C24 | C25 | C26 | 179.0° | 180.0° |
| C23 | C24 | C29 | C28 | 178.5° | 179.8° |
| C23 | C24 | C25 | H36 | 0.9° | 0.1° |
| C23 | C24 | C29 | H39 | 1.5° | 0.0° |
| C24 | C23 | C31 | H40 | 9.8° | 0.0° |
| C24 | C23 | C31 | H41 | 129.8° | 145.0° |
| C24 | C23 | C32 | H42 | 128.5° | 145.0° |
| C24 | C23 | C32 | H43 | 8.5° | 0.0° |
| C31 | C23 | C24 | C25 | 160.1° | 139.6° |
| C31 | C23 | C24 | C29 | 24.0° | 40.7° |
| C23 | C31 | C32 | H40 | 120.0° | 107.5° |
| C23 | C31 | C32 | H41 | 120.0° | 107.4° |
| C23 | C31 | H40 | H41 | 138.7° | 145.7° |
| C31 | C23 | C32 | H42 | 120.0° | 107.5° |
| C31 | C23 | C32 | H43 | 120.0° | 107.5° |
| C32 | C23 | C24 | C25 | 88.8° | 71.0° |
| C32 | C23 | C24 | C29 | 95.3° | 109.3° |
| C23 | C32 | H42 | H43 | 138.2° | 145.8° |
| C24 | C25 | C26 | H36 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 2.1° | 0.0° |
| C25 | C24 | C29 | C28 | 2.6° | 0.5° |
| C24 | C25 | C26 | H37 | 177.9° | 180.0° |
| C25 | C24 | C29 | H39 | 177.4° | 179.7° |
| C29 | C24 | C25 | C26 | 3.1° | 0.3° |
| C24 | C29 | C28 | C27 | 1.2° | 0.5° |
| C24 | C29 | C28 | H39 | 180.0° | 179.7° |
| C29 | C24 | C25 | H36 | 176.9° | 179.8° |
| C24 | C29 | C28 | H38 | 178.9° | 179.7° |
| C25 | C26 | C27 | H37 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.6° | 0.0° |
| C25 | C26 | C27 | BR3 | 177.0° | 180.0° |
| C26 | C27 | C28 | BR3 | 177.5° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.3° |
| C27 | C26 | C25 | H36 | 177.9° | 179.9° |
| C26 | C27 | C28 | H38 | 179.9° | 180.0° |
| C27 | C28 | C29 | H38 | 180.0° | 179.8° |
| C28 | C27 | C26 | H37 | 179.4° | 180.0° |
| C27 | C28 | C29 | H39 | 178.8° | 179.7° |
| BR3 | C27 | C28 | C29 | 177.3° | 179.8° |
| BR3 | C27 | C26 | H37 | 3.1° | 0.0° |
| BR3 | C27 | C28 | H38 | 2.7° | 0.0° |
| C32 | C31 | H40 | H41 | 138.7° | 145.7° |
| C31 | C32 | H42 | H43 | 138.2° | 145.6° |
| H36 | C25 | C26 | H37 | 2.1° | 0.0° |
| H38 | C28 | C29 | H39 | 1.1° | 0.0° |
| H40 | C31 | C32 | H42 | 120.0° | 145.0° |
| H40 | C31 | C32 | H43 | 0.0° | 0.1° |
| H41 | C31 | C32 | H42 | 0.0° | 0.1° |
| H41 | C31 | C32 | H43 | 120.0° | 145.0° |
| H44 | C18 | N35 | H35 | 0.0° | 0.0° |
| H1 | C1 | C5 | H51C | 147.5° | 100.0° |
| H1 | C1 | C5 | H52C | 27.5° | 23.2° |
| H51C | C5 | C4 | H4 | 35.9° | 35.8° |
| H52C | C5 | C4 | H4 | 84.1° | 159.1° |
| H31C | C3 | C4 | H4 | 86.7° | 160.1° |
| H32C | C3 | C4 | H4 | 33.3° | 37.8° |
| H14 | C14 | C13 | H13 | 0.5° | 0.0° |
| H11 | C11 | C12 | H12 | 0.9° | 0.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| H191 | C19 | C20 | H201 | 120.0° | 145.0° |
| H191 | C19 | C20 | H202 | 0.0° | 0.0° |
| H192 | C19 | C20 | H201 | 0.0° | 0.0° |
| H192 | C19 | C20 | H202 | 120.0° | 145.0° |
