YDY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | S33 | doub | 1.42Å | 1.44Å | |
| O34 | S33 | doub | 1.42Å | 1.44Å | |
| S33 | C31 | sing | 1.81Å | 1.78Å | |
| S33 | C35 | sing | 1.81Å | 1.75Å | |
| O19 | S16 | doub | 1.42Å | 1.44Å | |
| C31 | C28 | sing | 1.53Å | 1.54Å | |
| O32 | C28 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C11 | C7 | sing | 1.54Å | 1.55Å | |
| O18 | S16 | doub | 1.42Å | 1.44Å | |
| S16 | C7 | sing | 1.81Å | 1.84Å | |
| S16 | C17 | sing | 1.76Å | 1.77Å | |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| F42 | C38 | sing | 1.40Å | 1.34Å | |
| C28 | C27 | sing | 1.51Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| F43 | C38 | sing | 1.40Å | 1.34Å | |
| C7 | C4 | sing | 1.50Å | 1.53Å | |
| C7 | C8 | sing | 1.54Å | 1.58Å | |
| N26 | C27 | sing | 1.35Å | 1.33Å | |
| N26 | C13 | sing | 1.46Å | 1.46Å | |
| C27 | O29 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | F44 | sing | 1.40Å | 1.33Å | |
| C38 | C14 | sing | 1.53Å | 1.55Å | |
| C17 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.55Å | 1.54Å | |
| C1 | C14 | sing | 1.51Å | 1.52Å | |
| C1 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| F41 | C37 | sing | 1.40Å | 1.33Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C37 | sing | 1.53Å | 1.54Å | |
| C14 | F15 | sing | 1.40Å | 1.38Å | |
| C21 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C10 | sing | 1.51Å | 1.50Å | |
| C37 | F40 | sing | 1.40Å | 1.33Å | |
| C37 | F39 | sing | 1.40Å | 1.33Å | |
| C23 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | F25 | sing | 1.35Å | 1.36Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C2 | H45 | sing | 1.08Å | 1.08Å | |
| C3 | H46 | sing | 1.08Å | 1.08Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| C9 | H48 | sing | 1.09Å | 1.10Å | |
| C9 | H49 | sing | 1.09Å | 1.10Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C10 | H51 | sing | 1.09Å | 1.10Å | |
| C11 | H52 | sing | 1.09Å | 1.10Å | |
| C11 | H53 | sing | 1.09Å | 1.10Å | |
| C12 | H55 | sing | 1.09Å | 1.10Å | |
| C12 | H54 | sing | 1.09Å | 1.10Å | |
| C13 | H56 | sing | 1.09Å | 1.10Å | |
| C20 | H57 | sing | 1.08Å | 1.08Å | |
| C21 | H58 | sing | 1.08Å | 1.08Å | |
| C23 | H59 | sing | 1.08Å | 1.08Å | |
| C24 | H60 | sing | 1.08Å | 1.08Å | |
| N26 | H61 | sing | 0.97Å | 1.00Å | |
| C30 | H64 | sing | 1.09Å | 1.10Å | |
| C30 | H63 | sing | 1.09Å | 1.10Å | |
| C30 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H65 | sing | 1.09Å | 1.10Å | |
| C31 | H66 | sing | 1.09Å | 1.10Å | |
| O32 | H67 | sing | 0.97Å | 0.95Å | |
| C35 | H70 | sing | 1.09Å | 1.10Å | |
| C35 | H68 | sing | 1.09Å | 1.10Å | |
| C35 | H69 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | S33 | O34 | 117.3° | 119.2° |
| O36 | S33 | C31 | 108.1° | 108.6° |
| O36 | S33 | C35 | 109.0° | 108.6° |
| O34 | S33 | C31 | 108.1° | 108.6° |
| O34 | S33 | C35 | 109.0° | 108.6° |
| C31 | S33 | C35 | 104.5° | 101.9° |
| S33 | C31 | C28 | 118.9° | 109.5° |
| S33 | C31 | H65 | 107.1° | 109.5° |
| S33 | C31 | H66 | 107.1° | 109.4° |
| S33 | C35 | H70 | 109.5° | 109.5° |
| S33 | C35 | H68 | 109.5° | 109.5° |
| S33 | C35 | H69 | 109.5° | 109.5° |
| O19 | S16 | O18 | 118.5° | 121.0° |
| O19 | S16 | C7 | 108.5° | 110.6° |
| O19 | S16 | C17 | 108.5° | 104.3° |
| C31 | C28 | O32 | 110.8° | 109.5° |
| C31 | C28 | C27 | 105.2° | 109.4° |
| C31 | C28 | C30 | 113.7° | 109.4° |
| C28 | C31 | H65 | 107.0° | 109.5° |
| C28 | C31 | H66 | 107.0° | 109.5° |
| O32 | C28 | C27 | 110.7° | 109.5° |
| O32 | C28 | C30 | 108.6° | 109.5° |
| C28 | O32 | H67 | 109.5° | 114.0° |
| C12 | C11 | C7 | 105.7° | 104.1° |
| C11 | C12 | C13 | 103.5° | 106.6° |
| C12 | C11 | H52 | 110.4° | 110.5° |
| C12 | C11 | H53 | 110.4° | 110.5° |
| C11 | C12 | H55 | 111.0° | 110.0° |
| C11 | C12 | H54 | 110.9° | 110.0° |
| C11 | C7 | S16 | 111.0° | 110.1° |
| C11 | C7 | C4 | 109.1° | 110.4° |
| C11 | C7 | C8 | 105.6° | 103.6° |
| C7 | C11 | H52 | 110.4° | 110.6° |
| C7 | C11 | H53 | 110.4° | 110.5° |
| O18 | S16 | C7 | 108.4° | 110.5° |
| O18 | S16 | C17 | 108.2° | 104.3° |
| C7 | S16 | C17 | 103.7° | 104.4° |
| S16 | C7 | C4 | 104.0° | 109.8° |
| S16 | C7 | C8 | 111.9° | 109.9° |
| S16 | C17 | C20 | 119.4° | 120.0° |
| S16 | C17 | C24 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.4° | 119.1° |
| C3 | C2 | C1 | 118.7° | 119.0° |
| C3 | C2 | H45 | 120.7° | 120.5° |
| C2 | C3 | H46 | 119.8° | 120.5° |
| C3 | C4 | C7 | 122.9° | 117.9° |
| C3 | C4 | C5 | 117.0° | 118.6° |
| C4 | C3 | H46 | 119.8° | 120.4° |
| F42 | C38 | F43 | 107.4° | 109.4° |
| F42 | C38 | F44 | 107.3° | 109.5° |
| F42 | C38 | C14 | 111.3° | 109.5° |
| C27 | C28 | C30 | 107.7° | 109.5° |
| C28 | C27 | N26 | 116.2° | 120.0° |
| C28 | C27 | O29 | 120.3° | 120.0° |
| C28 | C30 | H64 | 109.5° | 109.5° |
| C28 | C30 | H63 | 109.5° | 109.5° |
| C28 | C30 | H62 | 109.5° | 109.4° |
| C2 | C1 | C14 | 124.0° | 119.8° |
| C2 | C1 | N6 | 122.5° | 120.4° |
| C1 | C2 | H45 | 120.7° | 120.5° |
| C12 | C13 | N26 | 112.1° | 110.0° |
| C12 | C13 | C8 | 103.3° | 106.6° |
| C13 | C12 | H55 | 111.0° | 110.1° |
| C13 | C12 | H54 | 111.0° | 110.1° |
| C12 | C13 | H56 | 109.3° | 110.0° |
| F43 | C38 | F44 | 107.6° | 109.5° |
| F43 | C38 | C14 | 111.6° | 109.5° |
| C4 | C7 | C8 | 115.5° | 112.9° |
| C7 | C4 | C5 | 120.1° | 123.5° |
| C7 | C8 | C13 | 104.0° | 104.2° |
| C7 | C8 | C9 | 114.9° | 109.5° |
| C7 | C8 | H47 | 107.7° | 111.4° |
| C27 | N26 | C13 | 123.3° | 120.0° |
| N26 | C27 | O29 | 123.6° | 120.0° |
| C27 | N26 | H61 | 118.3° | 120.0° |
| N26 | C13 | C8 | 112.2° | 110.1° |
| N26 | C13 | H56 | 110.4° | 110.0° |
| C13 | N26 | H61 | 118.3° | 120.0° |
| C4 | C5 | N6 | 123.0° | 120.6° |
| C4 | C5 | C10 | 121.2° | 121.6° |
| F44 | C38 | C14 | 111.4° | 109.5° |
| C38 | C14 | C1 | 113.9° | 109.5° |
| C38 | C14 | C37 | 111.5° | 109.5° |
| C38 | C14 | F15 | 105.6° | 109.5° |
| C20 | C17 | C24 | 121.0° | 120.1° |
| C17 | C20 | C21 | 119.5° | 120.0° |
| C17 | C20 | H57 | 120.3° | 120.0° |
| C17 | C24 | C23 | 119.4° | 120.0° |
| C17 | C24 | H60 | 120.3° | 120.0° |
| C20 | C21 | C22 | 118.4° | 120.0° |
| C21 | C20 | H57 | 120.3° | 120.0° |
| C20 | C21 | H58 | 120.8° | 120.0° |
| C13 | C8 | C9 | 113.4° | 108.0° |
| C13 | C8 | H47 | 108.2° | 112.1° |
| C8 | C13 | H56 | 109.2° | 110.1° |
| C14 | C1 | N6 | 113.5° | 119.8° |
| C1 | C14 | C37 | 109.1° | 109.5° |
| C1 | C14 | F15 | 111.6° | 109.4° |
| C1 | N6 | C5 | 118.4° | 122.3° |
| F41 | C37 | C14 | 111.0° | 109.5° |
| F41 | C37 | F40 | 107.3° | 109.4° |
| F41 | C37 | F39 | 107.5° | 109.5° |
| C8 | C9 | C10 | 109.8° | 109.3° |
| C9 | C8 | H47 | 108.3° | 111.3° |
| C8 | C9 | H48 | 109.4° | 109.5° |
| C8 | C9 | H49 | 109.4° | 109.5° |
| C24 | C23 | C22 | 118.4° | 120.0° |
| C24 | C23 | H59 | 120.8° | 120.0° |
| C23 | C24 | H60 | 120.3° | 120.0° |
| C37 | C14 | F15 | 104.8° | 109.4° |
| C14 | C37 | F40 | 111.7° | 109.4° |
| C14 | C37 | F39 | 111.4° | 109.5° |
| C21 | C22 | C23 | 123.3° | 119.9° |
| C21 | C22 | F25 | 118.3° | 120.1° |
| C22 | C21 | H58 | 120.8° | 120.0° |
| N6 | C5 | C10 | 115.8° | 117.8° |
| C5 | C10 | C9 | 111.6° | 109.8° |
| C5 | C10 | H50 | 109.0° | 109.4° |
| C5 | C10 | H51 | 108.9° | 109.4° |
| F40 | C37 | F39 | 107.6° | 109.5° |
| C23 | C22 | F25 | 118.4° | 120.0° |
| C22 | C23 | H59 | 120.8° | 120.0° |
| C10 | C9 | H48 | 109.4° | 109.5° |
| C10 | C9 | H49 | 109.4° | 109.5° |
| C9 | C10 | H50 | 108.9° | 109.4° |
| C9 | C10 | H51 | 109.0° | 109.4° |
| H48 | C9 | H49 | 109.4° | 109.6° |
| H50 | C10 | H51 | 109.5° | 109.4° |
| H52 | C11 | H53 | 109.5° | 110.5° |
| H55 | C12 | H54 | 109.5° | 110.1° |
| H64 | C30 | H63 | 109.5° | 109.5° |
| H64 | C30 | H62 | 109.5° | 109.5° |
| H63 | C30 | H62 | 109.5° | 109.5° |
| H65 | C31 | H66 | 109.5° | 109.5° |
| H70 | C35 | H68 | 109.5° | 109.5° |
| H70 | C35 | H69 | 109.4° | 109.5° |
| H68 | C35 | H69 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | S33 | O34 | C31 | 122.5° | 124.9° |
| O36 | S33 | O34 | C35 | 124.5° | 125.0° |
| O36 | S33 | C31 | C35 | 116.0° | 114.5° |
| O36 | S33 | C31 | C28 | 164.3° | 65.5° |
| O36 | S33 | C31 | H65 | 42.9° | 174.5° |
| O36 | S33 | C31 | H66 | 74.4° | 54.5° |
| O36 | S33 | C35 | H70 | 180.0° | 54.5° |
| O36 | S33 | C35 | H68 | 60.0° | 65.5° |
| O36 | S33 | C35 | H69 | 60.0° | 174.5° |
| O34 | S33 | C31 | C35 | 116.0° | 114.5° |
| O34 | S33 | C31 | C28 | 36.3° | 65.5° |
| O34 | S33 | C31 | H65 | 85.0° | 54.5° |
| O34 | S33 | C31 | H66 | 157.6° | 174.5° |
| O34 | S33 | C35 | H70 | 50.7° | 174.5° |
| O34 | S33 | C35 | H68 | 170.8° | 65.5° |
| O34 | S33 | C35 | H69 | 69.2° | 54.4° |
| S33 | C31 | C28 | H65 | 121.3° | 120.0° |
| S33 | C31 | C28 | H66 | 121.4° | 120.0° |
| S33 | C31 | C28 | O32 | 75.3° | 65.0° |
| S33 | C31 | C28 | C27 | 165.1° | 175.0° |
| S33 | C31 | C28 | C30 | 47.4° | 55.0° |
| S33 | C31 | H65 | H66 | 115.7° | 120.0° |
| C31 | S33 | C35 | H70 | 64.7° | 60.0° |
| C31 | S33 | C35 | H68 | 55.4° | 180.0° |
| C31 | S33 | C35 | H69 | 175.3° | 60.0° |
| C35 | S33 | C31 | C28 | 79.8° | 180.0° |
| C35 | S33 | C31 | H65 | 158.9° | 60.0° |
| C35 | S33 | C31 | H66 | 41.6° | 60.0° |
| S33 | C35 | H70 | H68 | 120.0° | 120.0° |
| S33 | C35 | H70 | H69 | 120.0° | 120.1° |
| S33 | C35 | H68 | H69 | 120.0° | 120.0° |
| O19 | S16 | C7 | C11 | 61.6° | 75.5° |
| O19 | S16 | O18 | C7 | 124.1° | 131.5° |
| O19 | S16 | O18 | C17 | 124.0° | 116.8° |
| O19 | S16 | C7 | C17 | 115.3° | 111.6° |
| O19 | S16 | C7 | C4 | 55.5° | 46.3° |
| O19 | S16 | C7 | C8 | 179.2° | 171.0° |
| O19 | S16 | C17 | C20 | 28.9° | 147.7° |
| O19 | S16 | C17 | C24 | 153.6° | 32.0° |
| C31 | C28 | O32 | C27 | 116.3° | 119.9° |
| C31 | C28 | O32 | C30 | 125.6° | 120.0° |
| C31 | C28 | C27 | C30 | 121.7° | 120.0° |
| C31 | C28 | C27 | N26 | 110.7° | 155.0° |
| C31 | C28 | C27 | O29 | 69.1° | 25.0° |
| C31 | C28 | C30 | H64 | 180.0° | 60.0° |
| C31 | C28 | C30 | H63 | 60.0° | 60.0° |
| C31 | C28 | C30 | H62 | 60.0° | 180.0° |
| C28 | C31 | H65 | H66 | 115.7° | 120.0° |
| C31 | C28 | O32 | H67 | 180.0° | 60.0° |
| O32 | C28 | C27 | C30 | 118.6° | 120.1° |
| O32 | C28 | C27 | N26 | 9.0° | 35.1° |
| O32 | C28 | C27 | O29 | 171.1° | 145.0° |
| O32 | C28 | C30 | H64 | 56.1° | 180.0° |
| O32 | C28 | C30 | H63 | 176.1° | 60.0° |
| O32 | C28 | C30 | H62 | 63.9° | 60.0° |
| O32 | C28 | C31 | H65 | 46.0° | 175.0° |
| O32 | C28 | C31 | H66 | 163.4° | 55.0° |
| C12 | C11 | C7 | H52 | 119.4° | 118.7° |
| C12 | C11 | C7 | H53 | 119.4° | 118.6° |
| C12 | C11 | C7 | S16 | 131.5° | 80.3° |
| C11 | C12 | C13 | H55 | 119.0° | 119.3° |
| C11 | C12 | C13 | H54 | 119.0° | 119.3° |
| C12 | C11 | C7 | C4 | 114.5° | 158.3° |
| C12 | C11 | C7 | C8 | 10.1° | 37.2° |
| C11 | C12 | C13 | N26 | 78.1° | 119.3° |
| C11 | C12 | C13 | C8 | 42.9° | 0.1° |
| C12 | C11 | H52 | H53 | 121.8° | 122.6° |
| C11 | C12 | H55 | H54 | 122.8° | 121.4° |
| C11 | C12 | C13 | H56 | 159.1° | 119.2° |
| C11 | C7 | S16 | O18 | 68.3° | 61.2° |
| C11 | C7 | S16 | C4 | 117.1° | 121.8° |
| C11 | C7 | S16 | C8 | 117.6° | 113.5° |
| C11 | C7 | S16 | C17 | 176.8° | 172.9° |
| C11 | C7 | C4 | C3 | 48.4° | 73.9° |
| C7 | C11 | C12 | C13 | 32.7° | 22.9° |
| C11 | C7 | C4 | C8 | 118.7° | 115.4° |
| C11 | C7 | C4 | C5 | 133.9° | 106.1° |
| C11 | C7 | C8 | C13 | 16.0° | 37.2° |
| C11 | C7 | C8 | C9 | 108.7° | 78.2° |
| C11 | C7 | C8 | H47 | 130.7° | 158.3° |
| C7 | C11 | H52 | H53 | 121.7° | 122.7° |
| C7 | C11 | C12 | H55 | 86.4° | 142.2° |
| C7 | C11 | C12 | H54 | 151.7° | 96.4° |
| O18 | S16 | C7 | C17 | 114.9° | 111.6° |
| O18 | S16 | C7 | C4 | 174.6° | 177.0° |
| O18 | S16 | C7 | C8 | 49.3° | 52.3° |
| O18 | S16 | C17 | C20 | 158.7° | 19.9° |
| O18 | S16 | C17 | C24 | 23.8° | 159.9° |
| S16 | C7 | C4 | C3 | 70.0° | 47.7° |
| S16 | C7 | C4 | C8 | 122.9° | 123.0° |
| S16 | C7 | C4 | C5 | 107.7° | 132.3° |
| C7 | S16 | C17 | C20 | 86.3° | 96.2° |
| C7 | S16 | C17 | C24 | 91.2° | 84.1° |
| S16 | C7 | C8 | C13 | 104.8° | 80.5° |
| S16 | C7 | C8 | C9 | 130.5° | 164.2° |
| S16 | C7 | C8 | H47 | 9.9° | 40.6° |
| S16 | C7 | C11 | H52 | 12.1° | 161.0° |
| S16 | C7 | C11 | H53 | 109.1° | 38.3° |
| C17 | S16 | C7 | C4 | 59.7° | 65.4° |
| C17 | S16 | C7 | C8 | 65.5° | 59.3° |
| S16 | C17 | C20 | C24 | 177.4° | 179.7° |
| S16 | C17 | C20 | C21 | 176.1° | 180.0° |
| S16 | C17 | C24 | C23 | 176.1° | 179.8° |
| S16 | C17 | C20 | H57 | 3.9° | 0.1° |
| S16 | C17 | C24 | H60 | 3.9° | 0.0° |
| C2 | C3 | C4 | H46 | 180.0° | 180.0° |
| C3 | C2 | C1 | H45 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 176.7° | 179.9° |
| C2 | C3 | C4 | C5 | 1.1° | 0.1° |
| C3 | C2 | C1 | C14 | 176.5° | 179.9° |
| C3 | C2 | C1 | N6 | 1.2° | 0.3° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | C4 | C7 | C5 | 177.8° | 179.9° |
| C3 | C4 | C7 | C8 | 167.0° | 170.7° |
| C3 | C4 | C5 | N6 | 1.5° | 0.2° |
| C3 | C4 | C5 | C10 | 177.9° | 179.9° |
| C4 | C3 | C2 | H45 | 179.9° | 179.9° |
| F42 | C38 | F43 | F44 | 115.2° | 120.0° |
| F42 | C38 | F43 | C14 | 122.3° | 120.0° |
| F42 | C38 | F44 | C14 | 122.0° | 120.0° |
| F42 | C38 | C14 | C1 | 71.0° | 180.0° |
| F42 | C38 | C14 | C37 | 53.0° | 60.0° |
| F42 | C38 | C14 | F15 | 166.2° | 60.1° |
| C28 | C27 | N26 | O29 | 179.9° | 179.9° |
| C28 | C27 | N26 | C13 | 178.7° | 180.0° |
| C28 | C27 | N26 | H61 | 1.3° | 0.1° |
| C27 | C28 | C30 | H64 | 63.8° | 60.0° |
| C27 | C28 | C30 | H63 | 56.2° | 180.0° |
| C27 | C28 | C30 | H62 | 176.2° | 60.0° |
| C27 | C28 | C31 | H65 | 73.6° | 55.0° |
| C27 | C28 | C31 | H66 | 43.7° | 65.0° |
| C27 | C28 | O32 | H67 | 63.7° | 60.0° |
| C30 | C28 | C27 | N26 | 127.6° | 85.0° |
| C30 | C28 | C27 | O29 | 52.5° | 95.0° |
| C28 | C30 | H64 | H63 | 120.0° | 120.0° |
| C28 | C30 | H64 | H62 | 120.0° | 120.0° |
| C28 | C30 | H63 | H62 | 120.0° | 120.0° |
| C30 | C28 | C31 | H65 | 168.7° | 65.0° |
| C30 | C28 | C31 | H66 | 74.0° | 175.0° |
| C30 | C28 | O32 | H67 | 54.4° | 180.0° |
| C2 | C1 | C14 | C38 | 17.7° | 119.7° |
| C2 | C1 | C14 | N6 | 177.9° | 179.7° |
| C2 | C1 | C14 | C37 | 107.5° | 120.2° |
| C2 | C1 | C14 | F15 | 137.2° | 0.3° |
| C2 | C1 | N6 | C5 | 1.0° | 0.6° |
| C1 | C2 | C3 | H46 | 179.9° | 180.0° |
| C12 | C13 | C8 | C7 | 36.1° | 23.0° |
| C12 | C13 | N26 | C27 | 103.9° | 74.0° |
| C12 | C13 | N26 | C8 | 115.7° | 117.1° |
| C12 | C13 | N26 | H56 | 122.2° | 121.4° |
| C12 | C13 | C8 | H56 | 116.3° | 119.3° |
| C12 | C13 | C8 | C9 | 89.4° | 93.4° |
| C12 | C13 | C8 | H47 | 150.5° | 143.6° |
| C13 | C12 | C11 | H52 | 86.7° | 95.8° |
| C13 | C12 | C11 | H53 | 152.0° | 141.6° |
| C13 | C12 | H55 | H54 | 122.8° | 121.5° |
| C12 | C13 | N26 | H61 | 76.2° | 105.9° |
| F43 | C38 | F44 | C14 | 122.6° | 120.0° |
| F43 | C38 | C14 | C1 | 49.1° | 60.0° |
| F43 | C38 | C14 | C37 | 173.0° | 60.0° |
| F43 | C38 | C14 | F15 | 73.8° | 180.0° |
| C4 | C7 | C8 | C13 | 136.5° | 156.6° |
| C4 | C7 | C8 | C9 | 11.9° | 41.2° |
| C7 | C4 | C5 | N6 | 176.4° | 179.9° |
| C7 | C4 | C5 | C10 | 4.3° | 0.2° |
| C7 | C4 | C3 | H46 | 3.3° | 0.1° |
| C4 | C7 | C8 | H47 | 108.8° | 82.3° |
| C4 | C7 | C11 | H52 | 126.0° | 39.6° |
| C4 | C7 | C11 | H53 | 4.9° | 83.1° |
| C7 | C8 | C13 | N26 | 84.8° | 96.3° |
| C8 | C7 | C4 | C5 | 15.2° | 9.4° |
| C7 | C8 | C13 | C9 | 125.5° | 116.4° |
| C7 | C8 | C13 | H47 | 114.3° | 120.6° |
| C7 | C8 | C9 | H47 | 120.4° | 123.6° |
| C7 | C8 | C9 | C10 | 48.1° | 65.9° |
| C7 | C8 | C9 | H48 | 71.9° | 54.0° |
| C7 | C8 | C9 | H49 | 168.2° | 174.2° |
| C8 | C7 | C11 | H52 | 109.3° | 81.5° |
| C8 | C7 | C11 | H53 | 129.6° | 155.8° |
| C7 | C8 | C13 | H56 | 152.4° | 142.2° |
| C27 | N26 | C13 | H61 | 180.0° | 179.9° |
| C27 | N26 | C13 | C8 | 140.4° | 168.8° |
| C27 | N26 | C13 | H56 | 18.3° | 47.4° |
| C13 | N26 | C27 | O29 | 1.1° | 0.0° |
| N26 | C13 | C8 | H56 | 122.8° | 121.4° |
| N26 | C13 | C8 | C9 | 149.7° | 147.3° |
| N26 | C13 | C8 | H47 | 29.5° | 24.3° |
| N26 | C13 | C12 | H55 | 162.9° | 121.4° |
| N26 | C13 | C12 | H54 | 40.9° | 0.1° |
| O29 | C27 | N26 | H61 | 178.8° | 180.0° |
| C4 | C5 | N6 | C1 | 0.4° | 0.5° |
| C4 | C5 | N6 | C10 | 179.4° | 179.7° |
| C4 | C5 | C10 | C9 | 33.9° | 23.4° |
| C5 | C4 | C3 | H46 | 178.8° | 179.9° |
| C4 | C5 | C10 | H50 | 86.4° | 96.6° |
| C4 | C5 | C10 | H51 | 154.2° | 143.6° |
| F44 | C38 | C14 | C1 | 169.4° | 60.0° |
| F44 | C38 | C14 | C37 | 66.6° | 180.0° |
| F44 | C38 | C14 | F15 | 46.6° | 59.9° |
| C38 | C14 | C1 | C37 | 125.2° | 120.1° |
| C38 | C14 | C1 | F15 | 119.4° | 120.0° |
| C38 | C14 | C1 | N6 | 164.4° | 60.0° |
| C38 | C14 | C37 | F41 | 78.9° | 60.0° |
| C38 | C14 | C37 | F15 | 113.7° | 120.1° |
| C38 | C14 | C37 | F40 | 40.8° | 60.0° |
| C38 | C14 | C37 | F39 | 161.3° | 180.0° |
| C17 | C20 | C21 | H57 | 180.0° | 179.9° |
| C20 | C17 | C24 | C23 | 1.3° | 0.5° |
| C17 | C20 | C21 | C22 | 0.3° | 0.0° |
| C17 | C20 | C21 | H58 | 179.7° | 179.9° |
| C20 | C17 | C24 | H60 | 178.7° | 179.7° |
| C24 | C17 | C20 | C21 | 1.4° | 0.3° |
| C17 | C24 | C23 | H60 | 180.0° | 179.8° |
| C17 | C24 | C23 | C22 | 0.2° | 0.5° |
| C24 | C17 | C20 | H57 | 178.6° | 179.8° |
| C17 | C24 | C23 | H59 | 179.8° | 179.7° |
| C20 | C21 | C22 | H58 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.9° | 0.0° |
| C20 | C21 | C22 | F25 | 177.8° | 180.0° |
| C13 | C8 | C9 | H47 | 120.1° | 123.5° |
| C13 | C8 | C9 | C10 | 167.6° | 178.8° |
| C13 | C8 | C9 | H48 | 47.6° | 58.9° |
| C13 | C8 | C9 | H49 | 72.3° | 61.3° |
| C8 | C13 | C12 | H55 | 76.1° | 119.3° |
| C8 | C13 | C12 | H54 | 161.9° | 119.2° |
| C8 | C13 | N26 | H61 | 39.5° | 11.2° |
| C1 | C14 | C37 | F41 | 47.7° | 180.0° |
| C1 | C14 | C37 | F15 | 119.7° | 119.9° |
| C14 | C1 | N6 | C5 | 177.0° | 179.7° |
| C1 | C14 | C37 | F40 | 167.5° | 60.1° |
| C1 | C14 | C37 | F39 | 72.1° | 60.0° |
| C14 | C1 | C2 | H45 | 3.5° | 0.0° |
| N6 | C1 | C14 | C37 | 70.4° | 60.0° |
| N6 | C1 | C14 | F15 | 45.0° | 180.0° |
| C1 | N6 | C5 | C10 | 178.9° | 179.7° |
| N6 | C1 | C2 | H45 | 178.8° | 179.7° |
| F41 | C37 | C14 | F40 | 119.8° | 119.9° |
| F41 | C37 | C14 | F39 | 119.8° | 120.1° |
| F41 | C37 | C14 | F15 | 167.4° | 60.1° |
| F41 | C37 | F40 | F39 | 115.5° | 120.0° |
| C8 | C9 | C10 | C5 | 58.9° | 55.5° |
| C8 | C9 | C10 | H48 | 120.1° | 119.9° |
| C8 | C9 | C10 | H49 | 120.1° | 120.0° |
| C8 | C9 | H48 | H49 | 119.9° | 120.1° |
| C8 | C9 | C10 | H50 | 61.4° | 64.5° |
| C8 | C9 | C10 | H51 | 179.2° | 175.7° |
| C9 | C8 | C13 | H56 | 26.9° | 25.9° |
| C24 | C23 | C22 | C21 | 0.9° | 0.2° |
| C24 | C23 | C22 | H59 | 180.0° | 179.8° |
| C24 | C23 | C22 | F25 | 177.7° | 179.8° |
| C14 | C37 | F40 | F39 | 122.6° | 120.0° |
| F15 | C14 | C37 | F40 | 72.9° | 180.0° |
| F15 | C14 | C37 | F39 | 47.6° | 60.0° |
| C21 | C22 | C23 | F25 | 178.6° | 180.0° |
| C22 | C21 | C20 | H57 | 179.7° | 179.9° |
| C21 | C22 | C23 | H59 | 179.1° | 180.0° |
| N6 | C5 | C10 | C9 | 145.5° | 156.8° |
| N6 | C5 | C10 | H50 | 94.2° | 83.1° |
| N6 | C5 | C10 | H51 | 25.1° | 36.7° |
| C5 | C10 | C9 | H50 | 120.3° | 120.0° |
| C5 | C10 | C9 | H51 | 120.3° | 120.1° |
| C5 | C10 | C9 | H48 | 61.2° | 64.4° |
| C5 | C10 | C9 | H49 | 178.9° | 175.5° |
| C5 | C10 | H50 | H51 | 119.0° | 119.8° |
| C23 | C22 | C21 | H58 | 179.1° | 179.9° |
| C22 | C23 | C24 | H60 | 179.8° | 179.7° |
| F25 | C22 | C21 | H58 | 2.3° | 0.0° |
| F25 | C22 | C23 | H59 | 2.3° | 0.0° |
| C10 | C9 | C8 | H47 | 72.2° | 57.7° |
| C10 | C9 | H48 | H49 | 119.8° | 120.1° |
| C9 | C10 | H50 | H51 | 119.1° | 119.8° |
| H45 | C2 | C3 | H46 | 0.1° | 0.0° |
| H47 | C8 | C9 | H48 | 167.7° | 177.6° |
| H47 | C8 | C9 | H49 | 47.8° | 62.3° |
| H47 | C8 | C13 | H56 | 93.2° | 97.1° |
| H48 | C9 | C10 | H50 | 178.5° | 175.6° |
| H48 | C9 | C10 | H51 | 59.1° | 55.8° |
| H49 | C9 | C10 | H50 | 58.6° | 55.5° |
| H49 | C9 | C10 | H51 | 60.7° | 64.4° |
| H52 | C11 | C12 | H55 | 154.2° | 23.5° |
| H52 | C11 | C12 | H54 | 32.3° | 144.9° |
| H53 | C11 | C12 | H55 | 33.0° | 99.1° |
| H53 | C11 | C12 | H54 | 88.9° | 22.2° |
| H55 | C12 | C13 | H56 | 40.1° | 0.0° |
| H54 | C12 | C13 | H56 | 81.9° | 121.5° |
| H56 | C13 | N26 | H61 | 161.6° | 132.7° |
| H57 | C20 | C21 | H58 | 0.3° | 0.0° |
| H59 | C23 | C24 | H60 | 0.2° | 0.0° |
| H64 | C30 | H63 | H62 | 120.0° | 120.0° |
| H70 | C35 | H68 | H69 | 120.0° | 120.0° |
