YWY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | O34 | sing | 1.43Å | 1.42Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| O34 | C33 | sing | 1.43Å | 1.42Å | |
| C36 | C31 | sing | 1.53Å | 1.54Å | |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C30 | sing | 1.51Å | 1.52Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | N37 | sing | 1.47Å | 1.51Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | O15 | sing | 1.43Å | 1.44Å | |
| C14 | C38 | sing | 1.53Å | 1.53Å | |
| C14 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| N37 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N37 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C8 | sing | 1.47Å | 1.46Å | Aromatic |
| C21 | N17 | sing | 1.46Å | 1.46Å | |
| C8 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| N17 | N18 | sing | 1.29Å | 1.35Å | Aromatic |
| N17 | C13 | sing | 1.37Å | 1.36Å | Aromatic |
| C10 | C13 | sing | 1.48Å | 1.48Å | |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| N18 | N19 | doub | 1.29Å | 1.32Å | Aromatic |
| C13 | C20 | doub | 1.37Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | F23 | sing | 1.35Å | 1.35Å | |
| N19 | C20 | sing | 1.34Å | 1.36Å | Aromatic |
| C20 | C22 | sing | 1.51Å | 1.49Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| C16 | H45 | sing | 1.09Å | 1.10Å | |
| C16 | H46 | sing | 1.09Å | 1.10Å | |
| C21 | H47 | sing | 1.09Å | 1.10Å | |
| C21 | H48 | sing | 1.09Å | 1.10Å | |
| C21 | H49 | sing | 1.09Å | 1.10Å | |
| C22 | H52 | sing | 1.09Å | 1.10Å | |
| C22 | H51 | sing | 1.09Å | 1.10Å | |
| C22 | H50 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.08Å | 1.08Å | |
| C27 | H55 | sing | 1.08Å | 1.08Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.08Å | 1.08Å | |
| C3 | H40 | sing | 1.08Å | 1.08Å | |
| C9 | H41 | sing | 1.08Å | 1.08Å | |
| O15 | H43 | sing | 0.97Å | 0.95Å | |
| C25 | H53 | sing | 1.08Å | 1.08Å | |
| C26 | H54 | sing | 1.08Å | 1.08Å | |
| C28 | H56 | sing | 1.08Å | 1.08Å | |
| C29 | H57 | sing | 1.08Å | 1.08Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C38 | H70 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | C35 | C36 | 110.9° | 109.4° |
| C35 | O34 | C33 | 109.5° | 114.1° |
| O34 | C35 | H65 | 109.1° | 109.5° |
| O34 | C35 | H64 | 109.1° | 109.4° |
| C35 | C36 | C31 | 111.9° | 109.2° |
| C36 | C35 | H65 | 109.1° | 109.5° |
| C36 | C35 | H64 | 109.1° | 109.4° |
| C35 | C36 | H67 | 108.9° | 109.6° |
| C35 | C36 | H66 | 108.9° | 109.5° |
| O34 | C33 | C32 | 111.0° | 109.4° |
| O34 | C33 | H62 | 109.1° | 109.4° |
| O34 | C33 | H63 | 109.1° | 109.5° |
| C36 | C31 | C30 | 111.3° | 109.6° |
| C36 | C31 | C32 | 109.1° | 109.0° |
| C36 | C31 | H59 | 108.6° | 109.5° |
| C31 | C36 | H67 | 108.9° | 109.6° |
| C31 | C36 | H66 | 108.9° | 109.5° |
| C16 | C14 | O15 | 106.4° | 109.5° |
| C16 | C14 | C38 | 109.7° | 109.5° |
| C16 | C14 | C2 | 113.3° | 109.5° |
| C14 | C16 | H44 | 109.5° | 109.4° |
| C14 | C16 | H45 | 109.4° | 109.5° |
| C14 | C16 | H46 | 109.5° | 109.5° |
| C33 | C32 | C31 | 112.0° | 109.2° |
| C32 | C33 | H62 | 109.1° | 109.5° |
| C32 | C33 | H63 | 109.1° | 109.5° |
| C33 | C32 | H60 | 108.8° | 109.5° |
| C33 | C32 | H61 | 108.8° | 109.5° |
| C30 | C31 | C32 | 110.4° | 109.6° |
| C31 | C30 | C24 | 115.7° | 109.5° |
| C31 | C30 | N37 | 113.9° | 109.4° |
| C31 | C30 | H58 | 105.9° | 109.5° |
| C30 | C31 | H59 | 108.5° | 109.6° |
| C32 | C31 | H59 | 108.8° | 109.5° |
| C31 | C32 | H60 | 108.8° | 109.5° |
| C31 | C32 | H61 | 108.9° | 109.5° |
| C28 | C29 | C24 | 120.7° | 120.0° |
| C29 | C28 | C27 | 120.2° | 120.0° |
| C29 | C28 | H56 | 119.9° | 120.0° |
| C28 | C29 | H57 | 119.6° | 120.0° |
| C29 | C24 | C30 | 123.5° | 120.0° |
| C29 | C24 | C25 | 118.3° | 120.0° |
| C24 | C29 | H57 | 119.6° | 120.0° |
| C28 | C27 | C26 | 119.7° | 120.0° |
| C28 | C27 | H55 | 120.2° | 120.1° |
| C27 | C28 | H56 | 119.9° | 120.0° |
| C30 | C24 | C25 | 118.0° | 120.0° |
| C24 | C30 | N37 | 108.2° | 109.5° |
| C24 | C30 | H58 | 106.2° | 109.5° |
| C24 | C25 | C26 | 120.7° | 120.0° |
| C24 | C25 | H53 | 119.6° | 120.0° |
| C27 | C26 | C25 | 120.3° | 120.0° |
| C26 | C27 | H55 | 120.2° | 120.0° |
| C27 | C26 | H54 | 119.8° | 120.1° |
| C30 | N37 | C4 | 124.7° | 124.9° |
| C30 | N37 | C7 | 125.7° | 124.9° |
| N37 | C30 | H58 | 106.3° | 109.4° |
| C26 | C25 | H53 | 119.6° | 120.0° |
| C25 | C26 | H54 | 119.9° | 120.0° |
| O15 | C14 | C38 | 107.5° | 109.5° |
| O15 | C14 | C2 | 109.0° | 109.5° |
| C14 | O15 | H43 | 109.5° | 114.0° |
| C38 | C14 | C2 | 110.6° | 109.4° |
| C14 | C38 | H68 | 109.5° | 109.5° |
| C14 | C38 | H69 | 109.5° | 109.5° |
| C14 | C38 | H70 | 109.4° | 109.4° |
| C14 | C2 | C3 | 120.4° | 120.2° |
| C14 | C2 | C1 | 121.1° | 120.2° |
| C2 | C3 | C4 | 118.8° | 118.3° |
| C3 | C2 | C1 | 118.5° | 119.6° |
| C2 | C3 | H40 | 120.6° | 120.8° |
| C3 | C4 | N37 | 130.6° | 132.5° |
| C3 | C4 | C5 | 118.8° | 118.9° |
| C4 | C3 | H40 | 120.6° | 120.9° |
| C2 | C1 | N6 | 123.2° | 121.1° |
| C2 | C1 | H39 | 118.4° | 119.5° |
| C4 | N37 | C7 | 107.7° | 110.2° |
| N37 | C4 | C5 | 110.4° | 108.6° |
| N37 | C7 | C9 | 129.5° | 132.1° |
| N37 | C7 | C8 | 108.8° | 108.4° |
| C4 | C5 | N6 | 123.1° | 120.4° |
| C4 | C5 | C8 | 106.3° | 106.3° |
| C9 | C7 | C8 | 121.7° | 119.5° |
| C7 | C9 | C10 | 118.4° | 120.0° |
| C7 | C9 | H41 | 120.8° | 120.0° |
| C7 | C8 | C5 | 106.8° | 106.6° |
| C7 | C8 | C12 | 119.7° | 120.3° |
| C1 | N6 | C5 | 117.6° | 121.6° |
| N6 | C1 | H39 | 118.4° | 119.4° |
| C9 | C10 | C13 | 119.0° | 119.9° |
| C9 | C10 | C11 | 118.5° | 120.2° |
| C10 | C9 | H41 | 120.8° | 120.0° |
| N6 | C5 | C8 | 130.5° | 133.2° |
| C5 | C8 | C12 | 133.5° | 133.1° |
| C21 | N17 | N18 | 121.0° | 126.0° |
| C21 | N17 | C13 | 129.0° | 126.0° |
| N17 | C21 | H47 | 109.5° | 109.4° |
| N17 | C21 | H48 | 109.5° | 109.5° |
| N17 | C21 | H49 | 109.5° | 109.5° |
| C8 | C12 | C11 | 117.9° | 119.9° |
| C8 | C12 | H42 | 121.1° | 120.1° |
| N18 | N17 | C13 | 109.8° | 108.0° |
| N17 | N18 | N19 | 107.3° | 110.6° |
| N17 | C13 | C10 | 124.9° | 127.1° |
| N17 | C13 | C20 | 105.5° | 105.7° |
| C13 | C10 | C11 | 122.4° | 119.9° |
| C10 | C13 | C20 | 129.4° | 127.2° |
| C10 | C11 | C12 | 123.7° | 120.1° |
| C10 | C11 | F23 | 119.2° | 120.0° |
| N18 | N19 | C20 | 109.2° | 109.3° |
| C13 | C20 | N19 | 108.1° | 106.4° |
| C13 | C20 | C22 | 131.7° | 126.8° |
| C12 | C11 | F23 | 117.1° | 120.0° |
| C11 | C12 | H42 | 121.0° | 120.0° |
| N19 | C20 | C22 | 120.2° | 126.8° |
| C20 | C22 | H52 | 109.5° | 109.5° |
| C20 | C22 | H51 | 109.4° | 109.5° |
| C20 | C22 | H50 | 109.5° | 109.5° |
| H44 | C16 | H45 | 109.5° | 109.5° |
| H44 | C16 | H46 | 109.4° | 109.4° |
| H45 | C16 | H46 | 109.5° | 109.6° |
| H47 | C21 | H48 | 109.5° | 109.5° |
| H47 | C21 | H49 | 109.5° | 109.5° |
| H48 | C21 | H49 | 109.5° | 109.5° |
| H52 | C22 | H51 | 109.5° | 109.5° |
| H52 | C22 | H50 | 109.5° | 109.5° |
| H51 | C22 | H50 | 109.5° | 109.4° |
| H62 | C33 | H63 | 109.5° | 109.5° |
| H60 | C32 | H61 | 109.5° | 109.6° |
| H65 | C35 | H64 | 109.5° | 109.5° |
| H67 | C36 | H66 | 109.5° | 109.5° |
| H68 | C38 | H69 | 109.4° | 109.5° |
| H68 | C38 | H70 | 109.5° | 109.5° |
| H69 | C38 | H70 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C35 | C36 | H65 | 120.2° | 120.0° |
| O34 | C35 | C36 | H64 | 120.2° | 119.9° |
| O34 | C35 | C36 | C31 | 56.7° | 57.5° |
| C35 | O34 | C33 | C32 | 64.6° | 61.2° |
| C35 | O34 | C33 | H62 | 55.7° | 178.9° |
| C35 | O34 | C33 | H63 | 175.2° | 58.8° |
| O34 | C35 | H65 | H64 | 119.4° | 120.0° |
| O34 | C35 | C36 | H67 | 63.6° | 177.5° |
| O34 | C35 | C36 | H66 | 177.1° | 62.3° |
| C36 | C35 | O34 | C33 | 64.5° | 61.1° |
| C35 | C36 | C31 | H67 | 120.3° | 120.0° |
| C35 | C36 | C31 | H66 | 120.4° | 119.9° |
| C35 | C36 | C31 | C30 | 169.4° | 176.8° |
| C35 | C36 | C31 | C32 | 47.3° | 56.9° |
| C35 | C36 | C31 | H59 | 71.1° | 62.9° |
| C36 | C35 | H65 | H64 | 119.3° | 120.0° |
| C35 | C36 | H67 | H66 | 118.9° | 120.1° |
| O34 | C33 | C32 | H62 | 120.2° | 119.9° |
| O34 | C33 | C32 | H63 | 120.2° | 120.0° |
| O34 | C33 | C32 | C31 | 56.8° | 57.6° |
| O34 | C33 | H62 | H63 | 119.3° | 120.0° |
| O34 | C33 | C32 | H60 | 177.2° | 177.5° |
| O34 | C33 | C32 | H61 | 63.6° | 62.3° |
| C33 | O34 | C35 | H65 | 175.2° | 178.8° |
| C33 | O34 | C35 | H64 | 55.7° | 58.8° |
| C36 | C31 | C32 | C33 | 47.3° | 56.9° |
| C36 | C31 | C30 | C32 | 121.4° | 119.6° |
| C36 | C31 | C30 | H59 | 119.5° | 120.2° |
| C36 | C31 | C32 | H59 | 118.4° | 119.9° |
| C36 | C31 | C30 | C24 | 71.7° | 68.5° |
| C36 | C31 | C30 | N37 | 161.9° | 171.5° |
| C36 | C31 | C30 | H58 | 45.5° | 51.5° |
| C36 | C31 | C32 | H60 | 167.7° | 176.9° |
| C36 | C31 | C32 | H61 | 73.1° | 63.0° |
| C31 | C36 | C35 | H65 | 176.9° | 177.6° |
| C31 | C36 | C35 | H64 | 63.5° | 62.4° |
| C31 | C36 | H67 | H66 | 118.9° | 120.1° |
| C16 | C14 | O15 | C38 | 117.5° | 120.0° |
| C16 | C14 | O15 | C2 | 122.5° | 120.1° |
| C16 | C14 | C38 | C2 | 125.7° | 120.0° |
| C16 | C14 | C2 | C3 | 15.9° | 150.0° |
| C16 | C14 | C2 | C1 | 165.9° | 29.9° |
| C14 | C16 | H44 | H45 | 120.0° | 120.0° |
| C14 | C16 | H44 | H46 | 120.0° | 119.9° |
| C14 | C16 | H45 | H46 | 120.0° | 120.1° |
| C16 | C14 | O15 | H43 | 180.0° | 180.0° |
| C16 | C14 | C38 | H68 | 180.0° | 59.9° |
| C16 | C14 | C38 | H69 | 60.0° | 180.0° |
| C16 | C14 | C38 | H70 | 60.0° | 60.0° |
| C33 | C32 | C31 | C30 | 170.0° | 176.9° |
| C33 | C32 | C31 | H60 | 120.4° | 119.9° |
| C33 | C32 | C31 | H61 | 120.4° | 119.9° |
| C32 | C33 | H62 | H63 | 119.3° | 120.1° |
| C33 | C32 | C31 | H59 | 71.0° | 62.9° |
| C33 | C32 | H60 | H61 | 118.8° | 120.1° |
| C30 | C31 | C32 | H59 | 119.0° | 120.2° |
| C31 | C30 | C24 | C29 | 8.3° | 49.7° |
| C31 | C30 | C24 | N37 | 129.2° | 120.0° |
| C31 | C30 | C24 | H58 | 117.1° | 120.1° |
| C31 | C30 | C24 | C25 | 175.8° | 130.0° |
| C31 | C30 | N37 | H58 | 116.2° | 120.0° |
| C31 | C30 | N37 | C4 | 96.0° | 159.6° |
| C31 | C30 | N37 | C7 | 66.2° | 20.5° |
| C30 | C31 | C32 | H60 | 69.6° | 63.2° |
| C30 | C31 | C32 | H61 | 49.6° | 56.9° |
| C30 | C31 | C36 | H67 | 49.1° | 63.2° |
| C30 | C31 | C36 | H66 | 70.2° | 56.9° |
| C32 | C31 | C30 | C24 | 166.9° | 171.9° |
| C32 | C31 | C30 | N37 | 40.6° | 51.9° |
| C31 | C32 | C33 | H62 | 63.4° | 177.5° |
| C31 | C32 | C33 | H63 | 177.0° | 62.4° |
| C32 | C31 | C30 | H58 | 75.9° | 68.1° |
| C31 | C32 | H60 | H61 | 118.9° | 120.1° |
| C32 | C31 | C36 | H67 | 73.0° | 176.9° |
| C32 | C31 | C36 | H66 | 167.7° | 63.0° |
| C28 | C29 | C24 | H57 | 180.0° | 180.0° |
| C29 | C28 | C27 | H56 | 180.0° | 179.9° |
| C28 | C29 | C24 | C30 | 174.9° | 180.0° |
| C28 | C29 | C24 | C25 | 1.0° | 0.3° |
| C29 | C28 | C27 | C26 | 0.7° | 0.2° |
| C29 | C28 | C27 | H55 | 179.3° | 179.9° |
| C24 | C29 | C28 | C27 | 0.0° | 0.1° |
| C29 | C24 | C30 | C25 | 175.9° | 179.7° |
| C29 | C24 | C30 | N37 | 120.9° | 70.3° |
| C29 | C24 | C25 | C26 | 1.2° | 0.3° |
| C29 | C24 | C25 | H53 | 178.8° | 179.8° |
| C24 | C29 | C28 | H56 | 180.0° | 179.8° |
| C29 | C24 | C30 | H58 | 125.4° | 169.7° |
| C28 | C27 | C26 | H55 | 180.0° | 179.7° |
| C28 | C27 | C26 | C25 | 0.5° | 0.3° |
| C28 | C27 | C26 | H54 | 179.5° | 179.8° |
| C27 | C28 | C29 | H57 | 180.0° | 180.0° |
| C24 | C30 | N37 | H58 | 113.7° | 120.0° |
| C30 | C24 | C25 | C26 | 174.9° | 180.0° |
| C24 | C30 | N37 | C4 | 133.8° | 80.4° |
| C24 | C30 | N37 | C7 | 63.9° | 99.6° |
| C30 | C24 | C25 | H53 | 5.1° | 0.0° |
| C30 | C24 | C29 | H57 | 5.1° | 0.0° |
| C24 | C30 | C31 | H59 | 47.8° | 51.7° |
| C24 | C25 | C26 | C27 | 0.5° | 0.0° |
| C25 | C24 | C30 | N37 | 55.0° | 110.0° |
| C24 | C25 | C26 | H53 | 180.0° | 180.0° |
| C24 | C25 | C26 | H54 | 179.5° | 180.0° |
| C25 | C24 | C29 | H57 | 179.0° | 179.7° |
| C25 | C24 | C30 | H58 | 58.7° | 10.0° |
| C27 | C26 | C25 | H54 | 180.0° | 180.0° |
| C27 | C26 | C25 | H53 | 179.5° | 180.0° |
| C26 | C27 | C28 | H56 | 179.3° | 179.9° |
| C30 | N37 | C4 | C3 | 18.9° | 0.1° |
| C30 | N37 | C4 | C7 | 164.9° | 179.9° |
| C30 | N37 | C4 | C5 | 166.4° | 180.0° |
| C30 | N37 | C7 | C9 | 15.0° | 0.4° |
| C30 | N37 | C7 | C8 | 165.7° | 179.9° |
| N37 | C30 | C31 | H59 | 78.5° | 68.3° |
| C25 | C26 | C27 | H55 | 179.5° | 180.0° |
| O15 | C14 | C38 | C2 | 119.0° | 120.0° |
| O15 | C14 | C2 | C3 | 102.3° | 29.9° |
| O15 | C14 | C2 | C1 | 75.8° | 150.0° |
| O15 | C14 | C16 | H44 | 180.0° | 60.0° |
| O15 | C14 | C16 | H45 | 60.0° | 179.9° |
| O15 | C14 | C16 | H46 | 60.0° | 59.9° |
| O15 | C14 | C38 | H68 | 64.7° | 180.0° |
| O15 | C14 | C38 | H69 | 175.3° | 60.0° |
| O15 | C14 | C38 | H70 | 55.3° | 60.1° |
| C38 | C14 | C2 | C3 | 139.6° | 90.0° |
| C38 | C14 | C2 | C1 | 42.3° | 90.1° |
| C38 | C14 | C16 | H44 | 64.0° | 180.0° |
| C38 | C14 | C16 | H45 | 176.0° | 60.0° |
| C38 | C14 | C16 | H46 | 56.0° | 60.1° |
| C38 | C14 | O15 | H43 | 62.5° | 59.9° |
| C14 | C38 | H68 | H69 | 120.0° | 120.0° |
| C14 | C38 | H68 | H70 | 120.0° | 119.9° |
| C14 | C38 | H69 | H70 | 120.0° | 120.0° |
| C14 | C2 | C3 | C1 | 178.2° | 179.9° |
| C14 | C2 | C3 | C4 | 179.0° | 179.9° |
| C14 | C2 | C1 | N6 | 179.1° | 180.0° |
| C2 | C14 | C16 | H44 | 60.2° | 60.1° |
| C2 | C14 | C16 | H45 | 59.8° | 59.9° |
| C2 | C14 | C16 | H46 | 179.8° | 180.0° |
| C14 | C2 | C1 | H39 | 0.9° | 0.1° |
| C14 | C2 | C3 | H40 | 1.0° | 0.0° |
| C2 | C14 | O15 | H43 | 57.5° | 60.0° |
| C2 | C14 | C38 | H68 | 54.3° | 60.0° |
| C2 | C14 | C38 | H69 | 65.7° | 60.0° |
| C2 | C14 | C38 | H70 | 174.3° | 180.0° |
| C2 | C3 | C4 | H40 | 180.0° | 179.9° |
| C2 | C3 | C4 | N37 | 174.2° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C1 | N6 | 1.0° | 0.0° |
| C3 | C2 | C1 | H39 | 179.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.8° | 0.0° |
| C3 | C4 | N37 | C5 | 174.7° | 180.0° |
| C3 | C4 | N37 | C7 | 176.2° | 180.0° |
| C3 | C4 | C5 | N6 | 1.0° | 0.0° |
| C3 | C4 | C5 | C8 | 176.8° | 180.0° |
| C2 | C1 | N6 | H39 | 180.0° | 179.9° |
| C2 | C1 | N6 | C5 | 0.1° | 0.1° |
| C1 | C2 | C3 | H40 | 179.1° | 179.9° |
| C4 | N37 | C7 | C9 | 179.8° | 179.7° |
| C4 | N37 | C7 | C8 | 1.0° | 0.0° |
| N37 | C4 | C5 | N6 | 174.4° | 180.0° |
| N37 | C4 | C5 | C8 | 1.4° | 0.0° |
| N37 | C4 | C3 | H40 | 5.8° | 0.1° |
| C4 | N37 | C30 | H58 | 20.2° | 39.6° |
| C7 | N37 | C4 | C5 | 1.5° | 0.0° |
| N37 | C7 | C9 | C8 | 179.2° | 179.7° |
| N37 | C7 | C9 | C10 | 176.1° | 179.9° |
| N37 | C7 | C8 | C5 | 0.1° | 0.0° |
| N37 | C7 | C8 | C12 | 178.3° | 180.0° |
| N37 | C7 | C9 | H41 | 3.9° | 0.4° |
| C7 | N37 | C30 | H58 | 177.6° | 140.5° |
| C4 | C5 | C8 | C7 | 0.8° | 0.0° |
| C4 | C5 | N6 | C1 | 0.9° | 0.0° |
| C4 | C5 | N6 | C8 | 174.7° | 180.0° |
| C4 | C5 | C8 | C12 | 178.9° | 180.0° |
| C5 | C4 | C3 | H40 | 179.9° | 180.0° |
| C7 | C9 | C10 | H41 | 180.0° | 179.7° |
| C9 | C7 | C8 | C5 | 179.4° | 179.7° |
| C9 | C7 | C8 | C12 | 1.0° | 0.3° |
| C7 | C9 | C10 | C13 | 177.8° | 180.0° |
| C7 | C9 | C10 | C11 | 3.0° | 0.0° |
| C8 | C7 | C9 | C10 | 3.0° | 0.2° |
| C7 | C8 | C5 | N6 | 174.6° | 180.0° |
| C7 | C8 | C5 | C12 | 178.1° | 180.0° |
| C7 | C8 | C12 | C11 | 1.1° | 0.0° |
| C7 | C8 | C12 | H42 | 178.9° | 180.0° |
| C8 | C7 | C9 | H41 | 177.0° | 180.0° |
| C1 | N6 | C5 | C8 | 175.6° | 180.0° |
| C9 | C10 | C13 | N17 | 48.8° | 90.3° |
| C9 | C10 | C13 | C11 | 179.2° | 180.0° |
| C9 | C10 | C13 | C20 | 126.9° | 90.0° |
| C9 | C10 | C11 | C12 | 1.0° | 0.3° |
| C9 | C10 | C11 | F23 | 179.2° | 180.0° |
| N6 | C5 | C8 | C12 | 3.6° | 0.0° |
| C5 | N6 | C1 | H39 | 179.9° | 180.0° |
| C5 | C8 | C12 | C11 | 176.9° | 180.0° |
| C5 | C8 | C12 | H42 | 3.1° | 0.0° |
| C21 | N17 | N18 | C13 | 176.3° | 179.9° |
| C21 | N17 | C13 | C10 | 9.5° | 0.2° |
| C21 | N17 | N18 | N19 | 175.3° | 179.8° |
| C21 | N17 | C13 | C20 | 173.9° | 179.9° |
| N17 | C21 | H47 | H48 | 120.0° | 120.0° |
| N17 | C21 | H47 | H49 | 120.0° | 120.1° |
| N17 | C21 | H48 | H49 | 120.0° | 120.1° |
| C8 | C12 | C11 | C10 | 1.1° | 0.2° |
| C8 | C12 | C11 | H42 | 180.0° | 180.0° |
| C8 | C12 | C11 | F23 | 177.2° | 180.0° |
| N18 | N17 | C13 | C10 | 174.6° | 179.7° |
| N18 | N17 | C13 | C20 | 2.0° | 0.0° |
| N17 | N18 | N19 | C20 | 0.4° | 0.5° |
| N18 | N17 | C21 | H47 | 0.0° | 90.1° |
| N18 | N17 | C21 | H48 | 120.0° | 149.9° |
| N18 | N17 | C21 | H49 | 120.0° | 29.9° |
| N17 | C13 | C10 | C20 | 175.7° | 179.7° |
| N17 | C13 | C10 | C11 | 132.0° | 89.7° |
| C13 | N17 | N18 | N19 | 1.0° | 0.3° |
| N17 | C13 | C20 | N19 | 2.2° | 0.2° |
| N17 | C13 | C20 | C22 | 177.1° | 179.9° |
| C13 | N17 | C21 | H47 | 175.5° | 90.0° |
| C13 | N17 | C21 | H48 | 55.4° | 29.9° |
| C13 | N17 | C21 | H49 | 64.5° | 150.0° |
| C13 | C10 | C11 | C12 | 179.8° | 179.8° |
| C13 | C10 | C11 | F23 | 1.5° | 0.0° |
| C10 | C13 | C20 | N19 | 174.2° | 180.0° |
| C10 | C13 | C20 | C22 | 6.6° | 0.1° |
| C13 | C10 | C9 | H41 | 2.2° | 0.3° |
| C11 | C10 | C13 | C20 | 52.3° | 90.0° |
| C10 | C11 | C12 | F23 | 178.3° | 179.8° |
| C10 | C11 | C12 | H42 | 178.9° | 179.7° |
| C11 | C10 | C9 | H41 | 177.0° | 179.7° |
| N18 | N19 | C20 | C13 | 1.7° | 0.4° |
| N18 | N19 | C20 | C22 | 177.7° | 179.7° |
| C13 | C20 | N19 | C22 | 179.4° | 179.9° |
| C13 | C20 | C22 | H52 | 179.2° | 90.0° |
| C13 | C20 | C22 | H51 | 60.8° | 150.0° |
| C13 | C20 | C22 | H50 | 59.2° | 30.1° |
| F23 | C11 | C12 | H42 | 2.8° | 0.1° |
| N19 | C20 | C22 | H52 | 0.0° | 89.9° |
| N19 | C20 | C22 | H51 | 120.0° | 30.1° |
| N19 | C20 | C22 | H50 | 120.0° | 150.0° |
| C20 | C22 | H52 | H51 | 120.0° | 120.0° |
| C20 | C22 | H52 | H50 | 120.0° | 120.1° |
| C20 | C22 | H51 | H50 | 120.0° | 120.0° |
| H44 | C16 | H45 | H46 | 120.0° | 120.0° |
| H47 | C21 | H48 | H49 | 120.0° | 120.0° |
| H52 | C22 | H51 | H50 | 120.0° | 120.0° |
| H55 | C27 | C26 | H54 | 0.5° | 0.1° |
| H55 | C27 | C28 | H56 | 0.7° | 0.2° |
| H62 | C33 | C32 | H60 | 56.9° | 62.5° |
| H62 | C33 | C32 | H61 | 176.2° | 57.6° |
| H63 | C33 | C32 | H60 | 62.6° | 57.5° |
| H63 | C33 | C32 | H61 | 56.6° | 177.7° |
| H53 | C25 | C26 | H54 | 0.5° | 0.0° |
| H56 | C28 | C29 | H57 | 0.0° | 0.2° |
| H58 | C30 | C31 | H59 | 165.0° | 171.7° |
| H59 | C31 | C32 | H60 | 49.3° | 57.0° |
| H59 | C31 | C32 | H61 | 168.6° | 177.2° |
| H59 | C31 | C36 | H67 | 168.5° | 57.1° |
| H59 | C31 | C36 | H66 | 49.2° | 177.2° |
| H65 | C35 | C36 | H67 | 56.6° | 62.4° |
| H65 | C35 | C36 | H66 | 62.7° | 57.7° |
| H64 | C35 | C36 | H67 | 176.1° | 57.6° |
| H64 | C35 | C36 | H66 | 56.8° | 177.7° |
| H68 | C38 | H69 | H70 | 120.0° | 120.0° |
