JYU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| C1 | S7 | sing | 1.76Å | 1.75Å | Aromatic |
| C2 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C2 | C8 | sing | 1.43Å | 1.45Å | Aromatic |
| N3 | N5 | sing | 1.40Å | 1.39Å | Aromatic |
| N3 | C17 | sing | 1.40Å | 1.43Å | |
| C4 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | N13 | sing | 1.39Å | 1.36Å | |
| N5 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| N6 | N11 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | C16 | sing | 1.47Å | 1.51Å | |
| S7 | C9 | sing | 1.76Å | 1.74Å | Aromatic |
| C8 | C18 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | doub | 1.34Å | 1.37Å | Aromatic |
| C9 | C14 | sing | 1.47Å | 1.48Å | |
| N11 | C15 | doub | 1.31Å | 1.33Å | Aromatic |
| C12 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.37Å | |
| C14 | O21 | doub | 1.22Å | 1.23Å | |
| C15 | C23 | sing | 1.51Å | 1.50Å | |
| C16 | C25 | sing | 1.53Å | 1.53Å | |
| C16 | C26 | sing | 1.53Å | 1.53Å | |
| C16 | C24 | sing | 1.53Å | 1.53Å | |
| C17 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | O22 | sing | 1.43Å | 1.44Å | |
| N19 | C20 | doub | 1.32Å | 1.32Å | Aromatic |
| N19 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C20 | O22 | sing | 1.36Å | 1.36Å | |
| C20 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C33 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H36 | sing | 1.08Å | 1.08Å | |
| C18 | H39 | sing | 1.09Å | 1.10Å | |
| C18 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.08Å | 1.08Å | |
| C28 | H54 | sing | 1.08Å | 1.08Å | |
| C12 | H37 | sing | 1.08Å | 1.08Å | |
| N13 | H38 | sing | 0.97Å | 1.00Å | |
| C29 | H55 | sing | 1.08Å | 1.08Å | |
| C30 | H56 | sing | 1.08Å | 1.08Å | |
| C31 | H57 | sing | 1.08Å | 1.08Å | |
| C32 | H58 | sing | 1.08Å | 1.08Å | |
| C33 | H59 | sing | 1.08Å | 1.08Å | |
| C34 | H60 | sing | 1.08Å | 1.08Å | |
| C35 | H61 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N3 | 107.4° | 107.4° |
| C2 | C1 | S7 | 113.2° | 109.8° |
| C1 | C2 | C10 | 110.9° | 113.0° |
| C1 | C2 | C8 | 104.4° | 106.5° |
| N3 | C1 | S7 | 139.2° | 142.8° |
| C1 | N3 | N5 | 112.2° | 108.0° |
| C1 | N3 | C17 | 127.6° | 125.9° |
| C1 | S7 | C9 | 90.0° | 91.5° |
| C10 | C2 | C8 | 144.7° | 140.5° |
| C2 | C10 | C9 | 113.6° | 115.3° |
| C2 | C10 | H36 | 123.2° | 122.3° |
| C2 | C8 | N5 | 111.5° | 108.6° |
| C2 | C8 | C18 | 122.3° | 125.7° |
| N5 | N3 | C17 | 120.0° | 126.0° |
| N3 | N5 | C8 | 104.4° | 109.5° |
| N3 | C17 | C29 | 119.9° | 120.1° |
| N3 | C17 | C30 | 119.5° | 120.0° |
| N6 | C4 | C12 | 108.3° | 107.4° |
| N6 | C4 | N13 | 124.3° | 126.3° |
| C4 | N6 | N11 | 109.2° | 107.8° |
| C4 | N6 | C16 | 132.0° | 126.1° |
| C12 | C4 | N13 | 127.3° | 126.3° |
| C4 | C12 | C15 | 105.3° | 107.9° |
| C4 | C12 | H37 | 127.4° | 126.0° |
| C4 | N13 | C14 | 122.8° | 120.1° |
| C4 | N13 | H38 | 118.6° | 120.0° |
| N5 | C8 | C18 | 126.3° | 125.7° |
| N11 | N6 | C16 | 118.8° | 126.1° |
| N6 | N11 | C15 | 105.4° | 108.4° |
| N6 | C16 | C25 | 109.7° | 109.5° |
| N6 | C16 | C26 | 109.1° | 109.4° |
| N6 | C16 | C24 | 109.4° | 109.4° |
| S7 | C9 | C10 | 112.2° | 110.4° |
| S7 | C9 | C14 | 115.9° | 124.8° |
| C8 | C18 | O22 | 104.8° | 109.5° |
| C8 | C18 | H39 | 110.6° | 109.4° |
| C8 | C18 | H40 | 110.6° | 109.4° |
| C10 | C9 | C14 | 131.8° | 124.8° |
| C9 | C10 | H36 | 123.2° | 122.4° |
| C9 | C14 | N13 | 116.2° | 120.0° |
| C9 | C14 | O21 | 120.7° | 120.0° |
| N11 | C15 | C12 | 111.8° | 108.4° |
| N11 | C15 | C23 | 120.5° | 125.8° |
| C12 | C15 | C23 | 127.7° | 125.8° |
| C15 | C12 | H37 | 127.3° | 126.1° |
| N13 | C14 | O21 | 123.0° | 119.9° |
| C14 | N13 | H38 | 118.6° | 120.0° |
| C15 | C23 | H42 | 109.5° | 109.5° |
| C15 | C23 | H43 | 109.5° | 109.5° |
| C15 | C23 | H41 | 109.5° | 109.5° |
| C25 | C16 | C26 | 109.7° | 109.5° |
| C25 | C16 | C24 | 109.8° | 109.5° |
| C16 | C25 | H49 | 109.5° | 109.4° |
| C16 | C25 | H48 | 109.5° | 109.5° |
| C16 | C25 | H47 | 109.5° | 109.5° |
| C26 | C16 | C24 | 109.1° | 109.5° |
| C16 | C26 | H51 | 109.5° | 109.4° |
| C16 | C26 | H50 | 109.4° | 109.5° |
| C16 | C26 | H52 | 109.5° | 109.4° |
| C16 | C24 | H45 | 109.5° | 109.5° |
| C16 | C24 | H46 | 109.5° | 109.5° |
| C16 | C24 | H44 | 109.5° | 109.4° |
| C29 | C17 | C30 | 120.0° | 119.9° |
| C17 | C29 | C33 | 119.5° | 119.9° |
| C17 | C29 | H55 | 120.3° | 120.0° |
| C17 | C30 | C34 | 119.8° | 119.9° |
| C17 | C30 | H56 | 120.1° | 120.1° |
| C18 | O22 | C20 | 118.3° | 117.0° |
| O22 | C18 | H39 | 110.6° | 109.5° |
| O22 | C18 | H40 | 110.6° | 109.5° |
| C20 | N19 | C27 | 116.3° | 121.7° |
| N19 | C20 | O22 | 119.6° | 119.7° |
| N19 | C20 | C28 | 124.9° | 120.6° |
| N19 | C27 | C31 | 123.9° | 120.8° |
| N19 | C27 | H53 | 118.0° | 119.6° |
| O22 | C20 | C28 | 115.5° | 119.7° |
| C20 | C28 | C32 | 116.9° | 119.2° |
| C20 | C28 | H54 | 121.6° | 120.4° |
| C27 | C31 | C32 | 118.1° | 119.3° |
| C31 | C27 | H53 | 118.1° | 119.6° |
| C27 | C31 | H57 | 121.0° | 120.3° |
| C28 | C32 | C31 | 119.9° | 118.5° |
| C32 | C28 | H54 | 121.6° | 120.4° |
| C28 | C32 | H58 | 120.0° | 120.8° |
| C29 | C33 | C35 | 120.4° | 120.1° |
| C33 | C29 | H55 | 120.2° | 120.1° |
| C29 | C33 | H59 | 119.8° | 120.0° |
| C30 | C34 | C35 | 120.2° | 120.1° |
| C34 | C30 | H56 | 120.1° | 120.0° |
| C30 | C34 | H60 | 119.9° | 119.9° |
| C32 | C31 | H57 | 120.9° | 120.4° |
| C31 | C32 | H58 | 120.1° | 120.7° |
| C33 | C35 | C34 | 119.9° | 120.1° |
| C35 | C33 | H59 | 119.8° | 120.0° |
| C33 | C35 | H61 | 120.0° | 119.9° |
| C35 | C34 | H60 | 119.9° | 120.0° |
| C34 | C35 | H61 | 120.0° | 120.0° |
| H39 | C18 | H40 | 109.5° | 109.4° |
| H42 | C23 | H43 | 109.5° | 109.5° |
| H42 | C23 | H41 | 109.4° | 109.5° |
| H43 | C23 | H41 | 109.4° | 109.5° |
| H45 | C24 | H46 | 109.5° | 109.5° |
| H45 | C24 | H44 | 109.5° | 109.5° |
| H46 | C24 | H44 | 109.5° | 109.5° |
| H49 | C25 | H48 | 109.5° | 109.5° |
| H49 | C25 | H47 | 109.5° | 109.4° |
| H48 | C25 | H47 | 109.4° | 109.5° |
| H51 | C26 | H50 | 109.5° | 109.5° |
| H51 | C26 | H52 | 109.5° | 109.5° |
| H50 | C26 | H52 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N3 | S7 | 176.7° | 179.8° |
| C1 | C2 | C10 | C8 | 179.5° | 179.9° |
| C2 | C1 | N3 | N5 | 1.3° | 0.0° |
| C2 | C1 | N3 | C17 | 175.6° | 180.0° |
| C1 | C2 | C8 | N5 | 0.3° | 0.0° |
| C2 | C1 | S7 | C9 | 2.0° | 0.0° |
| C1 | C2 | C8 | C18 | 179.6° | 180.0° |
| C1 | C2 | C10 | C9 | 0.9° | 0.2° |
| C1 | C2 | C10 | H36 | 179.1° | 180.0° |
| N3 | C1 | C2 | C10 | 179.7° | 180.0° |
| N3 | C1 | C2 | C8 | 0.6° | 0.0° |
| C1 | N3 | N5 | C17 | 174.7° | 180.0° |
| C1 | N3 | N5 | C8 | 1.5° | 0.0° |
| N3 | C1 | S7 | C9 | 178.6° | 179.8° |
| C1 | N3 | C17 | C29 | 160.3° | 145.0° |
| C1 | N3 | C17 | C30 | 10.8° | 35.3° |
| S7 | C1 | C2 | C10 | 2.0° | 0.1° |
| S7 | C1 | C2 | C8 | 178.3° | 179.8° |
| S7 | C1 | N3 | N5 | 178.0° | 179.8° |
| S7 | C1 | N3 | C17 | 7.7° | 0.2° |
| C1 | S7 | C9 | C10 | 1.4° | 0.2° |
| C1 | S7 | C9 | C14 | 179.4° | 180.0° |
| C10 | C2 | C8 | N5 | 179.3° | 179.9° |
| C2 | C10 | C9 | S7 | 0.6° | 0.2° |
| C10 | C2 | C8 | C18 | 0.8° | 0.1° |
| C2 | C10 | C9 | H36 | 180.0° | 179.7° |
| C2 | C10 | C9 | C14 | 179.6° | 179.9° |
| C2 | C8 | N5 | N3 | 1.0° | 0.0° |
| C2 | C8 | N5 | C18 | 179.9° | 180.0° |
| C8 | C2 | C10 | C9 | 179.6° | 179.7° |
| C2 | C8 | C18 | O22 | 39.8° | 90.0° |
| C8 | C2 | C10 | H36 | 0.4° | 0.1° |
| C2 | C8 | C18 | H39 | 159.0° | 149.9° |
| C2 | C8 | C18 | H40 | 79.5° | 30.0° |
| N3 | N5 | C8 | C18 | 178.9° | 180.0° |
| N5 | N3 | C17 | C29 | 13.5° | 35.0° |
| N5 | N3 | C17 | C30 | 175.3° | 144.7° |
| C17 | N3 | N5 | C8 | 176.2° | 180.0° |
| N3 | C17 | C29 | C30 | 171.1° | 179.7° |
| N3 | C17 | C29 | C33 | 176.0° | 179.7° |
| N3 | C17 | C30 | C34 | 176.1° | 179.7° |
| N3 | C17 | C29 | H55 | 4.0° | 0.4° |
| N3 | C17 | C30 | H56 | 3.8° | 0.3° |
| N6 | C4 | C12 | N13 | 177.9° | 180.0° |
| C4 | N6 | N11 | C16 | 179.2° | 179.9° |
| C4 | N6 | N11 | C15 | 0.7° | 0.1° |
| N6 | C4 | C12 | C15 | 1.3° | 0.2° |
| N6 | C4 | N13 | C14 | 117.5° | 179.9° |
| C4 | N6 | C16 | C25 | 86.1° | 60.0° |
| C4 | N6 | C16 | C26 | 153.8° | 60.1° |
| C4 | N6 | C16 | C24 | 34.5° | 179.9° |
| N6 | C4 | C12 | H37 | 178.7° | 180.0° |
| N6 | C4 | N13 | H38 | 62.5° | 0.1° |
| C12 | C4 | N6 | N11 | 1.3° | 0.1° |
| C12 | C4 | N6 | C16 | 179.6° | 180.0° |
| C4 | C12 | C15 | N11 | 0.9° | 0.3° |
| C4 | C12 | C15 | H37 | 180.0° | 179.8° |
| C12 | C4 | N13 | C14 | 64.9° | 0.0° |
| C4 | C12 | C15 | C23 | 179.5° | 179.9° |
| C12 | C4 | N13 | H38 | 115.1° | 180.0° |
| N13 | C4 | N6 | N11 | 179.3° | 180.0° |
| N13 | C4 | N6 | C16 | 1.6° | 0.0° |
| C4 | N13 | C14 | C9 | 173.5° | 180.0° |
| N13 | C4 | C12 | C15 | 179.2° | 179.9° |
| C4 | N13 | C14 | H38 | 180.0° | 180.0° |
| C4 | N13 | C14 | O21 | 8.7° | 0.0° |
| N13 | C4 | C12 | H37 | 0.8° | 0.0° |
| N5 | C8 | C18 | O22 | 140.3° | 90.0° |
| N5 | C8 | C18 | H39 | 21.1° | 30.0° |
| N5 | C8 | C18 | H40 | 100.4° | 149.9° |
| N6 | N11 | C15 | C12 | 0.1° | 0.2° |
| N6 | N11 | C15 | C23 | 179.8° | 180.0° |
| N11 | N6 | C16 | C25 | 93.0° | 120.0° |
| N11 | N6 | C16 | C26 | 27.2° | 120.0° |
| N11 | N6 | C16 | C24 | 146.5° | 0.0° |
| C16 | N6 | N11 | C15 | 179.9° | 179.8° |
| N6 | C16 | C25 | C26 | 119.8° | 120.0° |
| N6 | C16 | C25 | C24 | 120.3° | 120.0° |
| N6 | C16 | C26 | C24 | 119.5° | 119.9° |
| N6 | C16 | C24 | H45 | 180.0° | 60.0° |
| N6 | C16 | C24 | H46 | 60.0° | 60.0° |
| N6 | C16 | C24 | H44 | 60.0° | 179.9° |
| N6 | C16 | C25 | H49 | 180.0° | 60.0° |
| N6 | C16 | C25 | H48 | 60.0° | 60.0° |
| N6 | C16 | C25 | H47 | 60.0° | 180.0° |
| N6 | C16 | C26 | H51 | 180.0° | 180.0° |
| N6 | C16 | C26 | H50 | 60.0° | 60.0° |
| N6 | C16 | C26 | H52 | 60.0° | 60.1° |
| S7 | C9 | C10 | C14 | 179.0° | 179.8° |
| S7 | C9 | C14 | N13 | 176.9° | 0.0° |
| S7 | C9 | C14 | O21 | 1.0° | 179.9° |
| S7 | C9 | C10 | H36 | 179.4° | 180.0° |
| C8 | C18 | O22 | H39 | 119.3° | 120.0° |
| C8 | C18 | O22 | H40 | 119.3° | 120.0° |
| C8 | C18 | O22 | C20 | 170.1° | 180.0° |
| C8 | C18 | H39 | H40 | 122.1° | 119.9° |
| C10 | C9 | C14 | N13 | 2.1° | 179.8° |
| C10 | C9 | C14 | O21 | 179.9° | 0.2° |
| C9 | C14 | N13 | O21 | 177.8° | 179.9° |
| C14 | C9 | C10 | H36 | 0.4° | 0.2° |
| C9 | C14 | N13 | H38 | 6.5° | 0.0° |
| N11 | C15 | C12 | C23 | 179.6° | 179.8° |
| N11 | C15 | C23 | H42 | 0.0° | 90.0° |
| N11 | C15 | C23 | H43 | 120.0° | 150.0° |
| N11 | C15 | C23 | H41 | 120.0° | 30.0° |
| N11 | C15 | C12 | H37 | 179.1° | 179.9° |
| C12 | C15 | C23 | H42 | 179.6° | 90.2° |
| C12 | C15 | C23 | H43 | 60.4° | 29.8° |
| C12 | C15 | C23 | H41 | 59.6° | 149.7° |
| O21 | C14 | N13 | H38 | 171.3° | 180.0° |
| C15 | C23 | H42 | H43 | 120.0° | 120.0° |
| C15 | C23 | H42 | H41 | 120.0° | 120.0° |
| C15 | C23 | H43 | H41 | 120.0° | 120.0° |
| C23 | C15 | C12 | H37 | 0.5° | 0.1° |
| C25 | C16 | C26 | C24 | 120.4° | 120.0° |
| C25 | C16 | C24 | H45 | 59.6° | 60.0° |
| C25 | C16 | C24 | H46 | 179.6° | 180.0° |
| C25 | C16 | C24 | H44 | 60.4° | 60.1° |
| C16 | C25 | H49 | H48 | 120.0° | 120.0° |
| C16 | C25 | H49 | H47 | 120.0° | 119.9° |
| C16 | C25 | H48 | H47 | 120.0° | 120.0° |
| C25 | C16 | C26 | H51 | 59.9° | 60.0° |
| C25 | C16 | C26 | H50 | 60.2° | 180.0° |
| C25 | C16 | C26 | H52 | 179.9° | 60.0° |
| C26 | C16 | C24 | H45 | 60.7° | 180.0° |
| C26 | C16 | C24 | H46 | 59.4° | 60.0° |
| C26 | C16 | C24 | H44 | 179.3° | 60.0° |
| C26 | C16 | C25 | H49 | 60.2° | 60.0° |
| C26 | C16 | C25 | H48 | 179.8° | 180.0° |
| C26 | C16 | C25 | H47 | 59.8° | 60.0° |
| C16 | C26 | H51 | H50 | 120.0° | 120.0° |
| C16 | C26 | H51 | H52 | 120.0° | 119.9° |
| C16 | C26 | H50 | H52 | 120.0° | 120.0° |
| C16 | C24 | H45 | H46 | 120.0° | 120.0° |
| C16 | C24 | H45 | H44 | 120.0° | 120.0° |
| C16 | C24 | H46 | H44 | 120.0° | 119.9° |
| C24 | C16 | C25 | H49 | 59.7° | 180.0° |
| C24 | C16 | C25 | H48 | 60.3° | 60.0° |
| C24 | C16 | C25 | H47 | 179.7° | 60.1° |
| C24 | C16 | C26 | H51 | 60.5° | 60.0° |
| C24 | C16 | C26 | H50 | 179.5° | 60.0° |
| C24 | C16 | C26 | H52 | 59.5° | 180.0° |
| C17 | C29 | C33 | H55 | 180.0° | 179.9° |
| C29 | C17 | C30 | C34 | 5.0° | 0.0° |
| C17 | C29 | C33 | C35 | 2.5° | 0.0° |
| C29 | C17 | C30 | H56 | 175.0° | 179.9° |
| C17 | C29 | C33 | H59 | 177.5° | 180.0° |
| C30 | C17 | C29 | C33 | 4.8° | 0.1° |
| C17 | C30 | C34 | H56 | 180.0° | 179.9° |
| C17 | C30 | C34 | C35 | 2.8° | 0.0° |
| C30 | C17 | C29 | H55 | 175.2° | 180.0° |
| C17 | C30 | C34 | H60 | 177.2° | 180.0° |
| C18 | O22 | C20 | N19 | 10.7° | 0.3° |
| C18 | O22 | C20 | C28 | 169.9° | 180.0° |
| O22 | C18 | H39 | H40 | 122.2° | 120.1° |
| N19 | C20 | O22 | C28 | 179.4° | 179.7° |
| C20 | N19 | C27 | C31 | 0.7° | 0.1° |
| N19 | C20 | C28 | C32 | 0.3° | 0.2° |
| C20 | N19 | C27 | H53 | 179.3° | 179.8° |
| N19 | C20 | C28 | H54 | 179.7° | 179.8° |
| C27 | N19 | C20 | O22 | 178.9° | 179.9° |
| C27 | N19 | C20 | C28 | 0.5° | 0.2° |
| N19 | C27 | C31 | H53 | 180.0° | 179.7° |
| N19 | C27 | C31 | C32 | 0.2° | 0.3° |
| N19 | C27 | C31 | H57 | 179.8° | 179.8° |
| O22 | C20 | C28 | C32 | 179.7° | 180.0° |
| C20 | O22 | C18 | H39 | 70.7° | 60.0° |
| C20 | O22 | C18 | H40 | 50.8° | 60.0° |
| O22 | C20 | C28 | H54 | 0.3° | 0.1° |
| C20 | C28 | C32 | H54 | 180.0° | 180.0° |
| C20 | C28 | C32 | C31 | 0.9° | 0.0° |
| C20 | C28 | C32 | H58 | 179.1° | 180.0° |
| C27 | C31 | C32 | C28 | 0.6° | 0.3° |
| C27 | C31 | C32 | H57 | 180.0° | 179.9° |
| C27 | C31 | C32 | H58 | 179.4° | 179.8° |
| C28 | C32 | C31 | H58 | 180.0° | 180.0° |
| C28 | C32 | C31 | H57 | 179.4° | 179.8° |
| C29 | C33 | C35 | H59 | 180.0° | 180.0° |
| C29 | C33 | C35 | C34 | 0.3° | 0.0° |
| C29 | C33 | C35 | H61 | 179.7° | 180.0° |
| C30 | C34 | C35 | C33 | 0.5° | 0.1° |
| C30 | C34 | C35 | H60 | 180.0° | 180.0° |
| C30 | C34 | C35 | H61 | 179.5° | 179.9° |
| C32 | C31 | C27 | H53 | 179.8° | 179.9° |
| C31 | C32 | C28 | H54 | 179.2° | 180.0° |
| C33 | C35 | C34 | H61 | 180.0° | 180.0° |
| C35 | C33 | C29 | H55 | 177.5° | 179.9° |
| C33 | C35 | C34 | H60 | 179.5° | 179.9° |
| C35 | C34 | C30 | H56 | 177.2° | 180.0° |
| C34 | C35 | C33 | H59 | 179.7° | 180.0° |
| H42 | C23 | H43 | H41 | 120.0° | 120.0° |
| H45 | C24 | H46 | H44 | 120.0° | 120.1° |
| H49 | C25 | H48 | H47 | 120.0° | 120.0° |
| H51 | C26 | H50 | H52 | 120.0° | 120.1° |
| H53 | C27 | C31 | H57 | 0.2° | 0.0° |
| H54 | C28 | C32 | H58 | 0.8° | 0.0° |
| H55 | C29 | C33 | H59 | 2.5° | 0.1° |
| H56 | C30 | C34 | H60 | 2.8° | 0.0° |
| H57 | C31 | C32 | H58 | 0.6° | 0.1° |
| H59 | C33 | C35 | H61 | 0.4° | 0.0° |
| H60 | C34 | C35 | H61 | 0.5° | 0.1° |
