J6K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O16 | C15 | doub | 1.21Å | 1.24Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| O17 | C15 | sing | 1.34Å | 1.26Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| N10 | C12 | sing | 1.37Å | 1.36Å | Aromatic |
| N10 | N9 | sing | 1.29Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C7 | doub | 1.41Å | 1.35Å | Aromatic |
| N9 | N8 | doub | 1.29Å | 1.32Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C7 | N8 | sing | 1.35Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | N25 | sing | 1.46Å | 1.47Å | |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | N25 | sing | 1.47Å | 1.47Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| N25 | S27 | sing | 1.66Å | 1.62Å | |
| C35 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | S27 | sing | 1.76Å | 1.76Å | |
| S27 | O28 | doub | 1.42Å | 1.43Å | |
| S27 | O29 | doub | 1.42Å | 1.43Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C6 | H42 | sing | 1.08Å | 1.08Å | |
| C11 | H43 | sing | 1.09Å | 1.10Å | |
| C11 | H44 | sing | 1.09Å | 1.10Å | |
| C11 | H45 | sing | 1.09Å | 1.10Å | |
| C13 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H47 | sing | 1.09Å | 1.10Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| O17 | H1 | sing | 0.97Å | 0.95Å | |
| C19 | H48 | sing | 1.08Å | 1.08Å | |
| C22 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H51 | sing | 1.09Å | 1.10Å | |
| C22 | H52 | sing | 1.09Å | 1.10Å | |
| C24 | H53 | sing | 1.09Å | 1.10Å | |
| C24 | H54 | sing | 1.09Å | 1.10Å | |
| C26 | H56 | sing | 1.09Å | 1.10Å | |
| C26 | H57 | sing | 1.09Å | 1.10Å | |
| C26 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.08Å | 1.08Å | |
| C35 | H62 | sing | 1.08Å | 1.08Å | |
| C36 | H63 | sing | 1.08Å | 1.08Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C20 | H49 | sing | 1.08Å | 1.08Å | |
| C32 | H59 | sing | 1.08Å | 1.08Å | |
| C33 | H60 | sing | 1.08Å | 1.08Å | |
| C34 | H61 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 118.3° | 117.0° |
| O2 | C1 | H40 | 109.5° | 109.4° |
| O2 | C1 | H38 | 109.4° | 109.5° |
| O2 | C1 | H39 | 109.5° | 109.5° |
| O16 | C15 | O17 | 124.1° | 120.0° |
| O16 | C15 | C14 | 115.3° | 120.0° |
| O2 | C3 | C4 | 125.5° | 120.2° |
| O2 | C3 | C12 | 115.2° | 120.3° |
| C11 | N10 | C12 | 130.2° | 126.0° |
| C11 | N10 | N9 | 119.9° | 125.9° |
| N10 | C11 | H43 | 109.5° | 109.5° |
| N10 | C11 | H44 | 109.5° | 109.5° |
| N10 | C11 | H45 | 109.5° | 109.4° |
| O17 | C15 | C14 | 120.5° | 120.0° |
| C15 | O17 | H1 | 109.5° | 117.0° |
| C15 | C14 | C13 | 113.7° | 109.4° |
| C15 | C14 | H47 | 108.4° | 109.5° |
| C15 | C14 | H46 | 108.4° | 109.5° |
| C4 | C3 | C12 | 119.3° | 119.5° |
| C3 | C4 | C5 | 121.1° | 120.5° |
| C3 | C4 | H41 | 119.5° | 119.7° |
| C3 | C12 | N10 | 134.4° | 135.0° |
| C3 | C12 | C7 | 120.5° | 119.7° |
| C12 | N10 | N9 | 109.9° | 108.1° |
| N10 | C12 | C7 | 105.1° | 105.3° |
| N10 | N9 | N8 | 107.2° | 111.7° |
| C4 | C5 | C6 | 118.2° | 120.8° |
| C4 | C5 | C13 | 123.0° | 119.6° |
| C5 | C4 | H41 | 119.5° | 119.8° |
| C12 | C7 | N8 | 109.3° | 105.6° |
| C12 | C7 | C6 | 120.3° | 119.7° |
| N9 | N8 | C7 | 108.5° | 109.2° |
| C14 | C13 | C5 | 114.1° | 109.4° |
| C14 | C13 | C18 | 112.6° | 109.5° |
| C14 | C13 | H37 | 106.2° | 109.5° |
| C13 | C14 | H47 | 108.4° | 109.5° |
| C13 | C14 | H46 | 108.4° | 109.5° |
| N8 | C7 | C6 | 130.4° | 134.8° |
| C7 | C6 | C5 | 120.6° | 119.8° |
| C7 | C6 | H42 | 119.7° | 120.1° |
| C6 | C5 | C13 | 118.8° | 119.6° |
| C5 | C6 | H42 | 119.7° | 120.1° |
| C5 | C13 | C18 | 110.9° | 109.4° |
| C5 | C13 | H37 | 106.2° | 109.5° |
| C13 | C18 | C36 | 122.4° | 120.0° |
| C13 | C18 | C19 | 119.2° | 120.0° |
| C18 | C13 | H37 | 106.2° | 109.5° |
| C36 | C18 | C19 | 118.4° | 120.0° |
| C18 | C36 | C23 | 121.7° | 120.0° |
| C18 | C36 | H63 | 119.2° | 120.0° |
| C18 | C19 | C20 | 120.8° | 120.0° |
| C18 | C19 | H48 | 119.6° | 120.0° |
| C36 | C23 | C24 | 120.4° | 120.0° |
| C36 | C23 | C21 | 119.0° | 120.0° |
| C23 | C36 | H63 | 119.1° | 120.0° |
| C19 | C20 | C21 | 120.8° | 120.0° |
| C20 | C19 | H48 | 119.6° | 120.0° |
| C19 | C20 | H49 | 119.6° | 120.0° |
| C24 | C23 | C21 | 120.6° | 120.0° |
| C23 | C24 | N25 | 111.7° | 109.4° |
| C23 | C24 | H53 | 108.9° | 109.5° |
| C23 | C24 | H54 | 108.9° | 109.5° |
| C23 | C21 | C20 | 119.3° | 120.0° |
| C23 | C21 | C22 | 122.1° | 120.0° |
| C32 | C33 | C34 | 120.1° | 119.9° |
| C33 | C32 | C31 | 119.8° | 120.0° |
| C33 | C32 | H59 | 120.1° | 119.9° |
| C32 | C33 | H60 | 119.9° | 120.0° |
| C33 | C34 | C35 | 119.9° | 120.0° |
| C34 | C33 | H60 | 120.0° | 120.0° |
| C33 | C34 | H61 | 120.1° | 119.9° |
| C20 | C21 | C22 | 118.6° | 120.0° |
| C21 | C20 | H49 | 119.6° | 120.0° |
| C26 | N25 | C24 | 114.6° | 120.0° |
| C26 | N25 | S27 | 116.7° | 120.0° |
| N25 | C26 | H56 | 109.5° | 109.5° |
| N25 | C26 | H57 | 109.5° | 109.4° |
| N25 | C26 | H55 | 109.4° | 109.5° |
| C32 | C31 | C30 | 120.0° | 120.0° |
| C32 | C31 | H58 | 120.0° | 120.0° |
| C31 | C32 | H59 | 120.1° | 120.0° |
| C24 | N25 | S27 | 118.8° | 120.0° |
| N25 | C24 | H53 | 108.9° | 109.5° |
| N25 | C24 | H54 | 108.9° | 109.4° |
| C34 | C35 | C30 | 119.9° | 120.0° |
| C34 | C35 | H62 | 120.1° | 120.0° |
| C35 | C34 | H61 | 120.0° | 120.1° |
| C21 | C22 | H50 | 109.5° | 109.5° |
| C21 | C22 | H51 | 109.5° | 109.4° |
| C21 | C22 | H52 | 109.5° | 109.4° |
| C31 | C30 | C35 | 120.2° | 120.0° |
| C31 | C30 | S27 | 119.8° | 120.0° |
| C30 | C31 | H58 | 120.0° | 120.0° |
| N25 | S27 | C30 | 101.7° | 107.2° |
| N25 | S27 | O28 | 107.8° | 106.4° |
| N25 | S27 | O29 | 107.3° | 106.5° |
| C35 | C30 | S27 | 119.9° | 120.0° |
| C30 | C35 | H62 | 120.0° | 120.0° |
| C30 | S27 | O28 | 108.5° | 106.4° |
| C30 | S27 | O29 | 109.4° | 106.4° |
| O28 | S27 | O29 | 120.5° | 123.1° |
| H40 | C1 | H38 | 109.5° | 109.4° |
| H40 | C1 | H39 | 109.5° | 109.5° |
| H38 | C1 | H39 | 109.5° | 109.5° |
| H43 | C11 | H44 | 109.4° | 109.5° |
| H43 | C11 | H45 | 109.5° | 109.4° |
| H44 | C11 | H45 | 109.5° | 109.5° |
| H47 | C14 | H46 | 109.4° | 109.5° |
| H50 | C22 | H51 | 109.5° | 109.5° |
| H50 | C22 | H52 | 109.5° | 109.5° |
| H51 | C22 | H52 | 109.4° | 109.5° |
| H53 | C24 | H54 | 109.5° | 109.5° |
| H56 | C26 | H57 | 109.4° | 109.5° |
| H56 | C26 | H55 | 109.5° | 109.5° |
| H57 | C26 | H55 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 6.8° | 0.0° |
| C1 | O2 | C3 | C12 | 173.2° | 179.8° |
| O2 | C1 | H40 | H38 | 120.0° | 120.0° |
| O2 | C1 | H40 | H39 | 120.0° | 120.0° |
| O2 | C1 | H38 | H39 | 120.0° | 120.1° |
| O16 | C15 | O17 | C14 | 180.0° | 179.9° |
| O16 | C15 | C14 | C13 | 134.0° | 0.0° |
| O16 | C15 | C14 | H47 | 105.3° | 120.0° |
| O16 | C15 | C14 | H46 | 13.4° | 120.0° |
| O16 | C15 | O17 | H1 | 0.0° | 0.1° |
| O2 | C3 | C4 | C12 | 179.9° | 179.8° |
| O2 | C3 | C12 | N10 | 0.0° | 0.3° |
| O2 | C3 | C4 | C5 | 180.0° | 179.7° |
| O2 | C3 | C12 | C7 | 180.0° | 179.7° |
| C3 | O2 | C1 | H40 | 180.0° | 60.0° |
| C3 | O2 | C1 | H38 | 60.0° | 59.9° |
| C3 | O2 | C1 | H39 | 60.0° | 180.0° |
| O2 | C3 | C4 | H41 | 0.0° | 0.2° |
| C11 | N10 | C12 | C3 | 0.0° | 0.0° |
| C11 | N10 | C12 | N9 | 180.0° | 180.0° |
| C11 | N10 | C12 | C7 | 180.0° | 180.0° |
| C11 | N10 | N9 | N8 | 180.0° | 180.0° |
| N10 | C11 | H43 | H44 | 120.0° | 120.0° |
| N10 | C11 | H43 | H45 | 120.0° | 119.9° |
| N10 | C11 | H44 | H45 | 120.0° | 120.0° |
| O17 | C15 | C14 | C13 | 45.9° | 180.0° |
| O17 | C15 | C14 | H47 | 74.7° | 60.0° |
| O17 | C15 | C14 | H46 | 166.6° | 60.1° |
| C15 | C14 | C13 | H47 | 120.7° | 120.0° |
| C15 | C14 | C13 | H46 | 120.7° | 119.9° |
| C15 | C14 | C13 | C5 | 60.3° | 175.0° |
| C15 | C14 | C13 | C18 | 172.1° | 65.0° |
| C15 | C14 | C13 | H37 | 56.3° | 55.0° |
| C15 | C14 | H47 | H46 | 118.1° | 120.0° |
| C14 | C15 | O17 | H1 | 180.0° | 180.0° |
| C4 | C3 | C12 | N10 | 180.0° | 180.0° |
| C3 | C4 | C5 | H41 | 180.0° | 179.9° |
| C4 | C3 | C12 | C7 | 0.1° | 0.1° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | C13 | 179.9° | 180.0° |
| C3 | C12 | N10 | C7 | 180.0° | 180.0° |
| C3 | C12 | N10 | N9 | 179.9° | 180.0° |
| C12 | C3 | C4 | C5 | 0.0° | 0.1° |
| C3 | C12 | C7 | N8 | 180.0° | 180.0° |
| C3 | C12 | C7 | C6 | 0.1° | 0.0° |
| C12 | C3 | C4 | H41 | 180.0° | 180.0° |
| C12 | N10 | N9 | N8 | 0.0° | 0.0° |
| N10 | C12 | C7 | N8 | 0.0° | 0.1° |
| N10 | C12 | C7 | C6 | 180.0° | 180.0° |
| C12 | N10 | C11 | H43 | 180.0° | 89.9° |
| C12 | N10 | C11 | H44 | 60.0° | 150.0° |
| C12 | N10 | C11 | H45 | 60.0° | 30.0° |
| N9 | N10 | C12 | C7 | 0.0° | 0.0° |
| N10 | N9 | N8 | C7 | 0.0° | 0.1° |
| N9 | N10 | C11 | H43 | 0.0° | 90.0° |
| N9 | N10 | C11 | H44 | 120.0° | 30.0° |
| N9 | N10 | C11 | H45 | 120.0° | 150.0° |
| C4 | C5 | C13 | C14 | 9.1° | 53.6° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | C13 | 179.9° | 179.9° |
| C4 | C5 | C13 | C18 | 119.4° | 66.4° |
| C4 | C5 | C6 | H42 | 180.0° | 180.0° |
| C4 | C5 | C13 | H37 | 125.7° | 173.6° |
| C12 | C7 | N8 | N9 | 0.0° | 0.1° |
| C12 | C7 | N8 | C6 | 180.0° | 179.9° |
| C12 | C7 | C6 | C5 | 0.0° | 0.0° |
| C12 | C7 | C6 | H42 | 180.0° | 180.0° |
| N9 | N8 | C7 | C6 | 180.0° | 180.0° |
| C14 | C13 | C5 | C6 | 170.9° | 126.4° |
| C14 | C13 | C5 | C18 | 128.4° | 120.0° |
| C14 | C13 | C5 | H37 | 116.6° | 120.0° |
| C14 | C13 | C18 | H37 | 115.8° | 120.1° |
| C14 | C13 | C18 | C36 | 86.1° | 127.7° |
| C14 | C13 | C18 | C19 | 93.9° | 52.3° |
| C13 | C14 | H47 | H46 | 118.0° | 120.0° |
| N8 | C7 | C6 | C5 | 180.0° | 179.9° |
| N8 | C7 | C6 | H42 | 0.0° | 0.1° |
| C7 | C6 | C5 | H42 | 180.0° | 179.9° |
| C7 | C6 | C5 | C13 | 179.9° | 180.0° |
| C6 | C5 | C13 | C18 | 60.7° | 113.7° |
| C6 | C5 | C13 | H37 | 54.2° | 6.3° |
| C6 | C5 | C4 | H41 | 180.0° | 180.0° |
| C5 | C13 | C18 | H37 | 114.9° | 120.0° |
| C5 | C13 | C18 | C36 | 43.1° | 112.4° |
| C5 | C13 | C18 | C19 | 136.9° | 67.7° |
| C13 | C5 | C6 | H42 | 0.1° | 0.0° |
| C5 | C13 | C14 | H47 | 179.0° | 55.0° |
| C5 | C13 | C14 | H46 | 60.4° | 65.0° |
| C13 | C5 | C4 | H41 | 0.1° | 0.1° |
| C13 | C18 | C36 | C19 | 180.0° | 180.0° |
| C13 | C18 | C36 | C23 | 180.0° | 179.5° |
| C13 | C18 | C19 | C20 | 179.9° | 180.0° |
| C18 | C13 | C14 | H47 | 51.5° | 175.0° |
| C18 | C13 | C14 | H46 | 67.2° | 54.9° |
| C13 | C18 | C19 | H48 | 0.0° | 0.3° |
| C13 | C18 | C36 | H63 | 0.0° | 0.2° |
| C18 | C36 | C23 | H63 | 180.0° | 179.7° |
| C36 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C36 | C23 | C24 | 179.9° | 179.7° |
| C18 | C36 | C23 | C21 | 0.0° | 0.9° |
| C36 | C18 | C13 | H37 | 158.1° | 7.6° |
| C36 | C18 | C19 | H48 | 180.0° | 179.7° |
| C19 | C18 | C36 | C23 | 0.0° | 0.6° |
| C18 | C19 | C20 | H48 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 0.1° | 0.3° |
| C19 | C18 | C13 | H37 | 21.9° | 172.4° |
| C19 | C18 | C36 | H63 | 180.0° | 179.7° |
| C18 | C19 | C20 | H49 | 180.0° | 179.7° |
| C36 | C23 | C24 | C21 | 179.9° | 179.4° |
| C36 | C23 | C21 | C20 | 0.0° | 0.6° |
| C36 | C23 | C24 | N25 | 101.8° | 94.6° |
| C36 | C23 | C21 | C22 | 180.0° | 179.4° |
| C36 | C23 | C24 | H53 | 137.8° | 25.4° |
| C36 | C23 | C24 | H54 | 18.5° | 145.4° |
| C19 | C20 | C21 | C23 | 0.0° | 0.0° |
| C19 | C20 | C21 | H49 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 180.0° | 180.0° |
| C24 | C23 | C21 | C20 | 179.9° | 180.0° |
| C23 | C24 | N25 | C26 | 61.9° | 86.1° |
| C23 | C24 | N25 | H53 | 120.3° | 120.0° |
| C23 | C24 | N25 | H54 | 120.3° | 120.0° |
| C24 | C23 | C21 | C22 | 0.1° | 0.0° |
| C23 | C24 | N25 | S27 | 153.4° | 93.9° |
| C23 | C24 | H53 | H54 | 119.0° | 120.1° |
| C24 | C23 | C36 | H63 | 0.1° | 0.0° |
| C23 | C21 | C20 | C22 | 180.0° | 180.0° |
| C21 | C23 | C24 | N25 | 78.1° | 86.0° |
| C23 | C21 | C22 | H50 | 90.0° | 95.9° |
| C23 | C21 | C22 | H51 | 150.0° | 144.1° |
| C23 | C21 | C22 | H52 | 30.0° | 24.1° |
| C21 | C23 | C24 | H53 | 42.3° | 154.0° |
| C21 | C23 | C24 | H54 | 161.6° | 34.0° |
| C21 | C23 | C36 | H63 | 180.0° | 179.4° |
| C23 | C21 | C20 | H49 | 180.0° | 180.0° |
| C32 | C33 | C34 | H60 | 180.0° | 180.0° |
| C33 | C32 | C31 | H59 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.0° | 0.2° |
| C33 | C32 | C31 | C30 | 0.0° | 0.1° |
| C33 | C32 | C31 | H58 | 180.0° | 179.7° |
| C32 | C33 | C34 | H61 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.0° | 0.1° |
| C33 | C34 | C35 | H61 | 180.0° | 179.8° |
| C33 | C34 | C35 | C30 | 0.1° | 0.5° |
| C33 | C34 | C35 | H62 | 179.9° | 180.0° |
| C34 | C33 | C32 | H59 | 180.0° | 180.0° |
| C21 | C20 | C19 | H48 | 180.0° | 180.0° |
| C20 | C21 | C22 | H50 | 90.0° | 84.2° |
| C20 | C21 | C22 | H51 | 30.0° | 35.9° |
| C20 | C21 | C22 | H52 | 150.0° | 155.8° |
| C26 | N25 | C24 | S27 | 144.7° | 180.0° |
| C26 | N25 | S27 | C30 | 67.5° | 84.1° |
| C26 | N25 | S27 | O28 | 46.5° | 29.4° |
| C26 | N25 | S27 | O29 | 177.7° | 162.4° |
| C26 | N25 | C24 | H53 | 177.8° | 153.9° |
| C26 | N25 | C24 | H54 | 58.4° | 33.9° |
| N25 | C26 | H56 | H57 | 120.0° | 120.0° |
| N25 | C26 | H56 | H55 | 120.0° | 120.1° |
| N25 | C26 | H57 | H55 | 120.0° | 120.0° |
| C32 | C31 | C30 | H58 | 180.0° | 179.8° |
| C32 | C31 | C30 | C35 | 0.1° | 0.2° |
| C32 | C31 | C30 | S27 | 179.9° | 179.7° |
| C31 | C32 | C33 | H60 | 180.0° | 179.9° |
| C24 | N25 | S27 | C30 | 76.5° | 95.9° |
| C24 | N25 | S27 | O28 | 169.5° | 150.6° |
| C24 | N25 | S27 | O29 | 38.3° | 17.6° |
| N25 | C24 | H53 | H54 | 118.9° | 120.0° |
| C24 | N25 | C26 | H56 | 180.0° | 85.5° |
| C24 | N25 | C26 | H57 | 60.0° | 154.5° |
| C24 | N25 | C26 | H55 | 60.0° | 34.6° |
| C34 | C35 | C30 | C31 | 0.1° | 0.5° |
| C34 | C35 | C30 | H62 | 180.0° | 179.5° |
| C34 | C35 | C30 | S27 | 180.0° | 179.4° |
| C35 | C34 | C33 | H60 | 180.0° | 179.8° |
| C21 | C22 | H50 | H51 | 120.0° | 120.0° |
| C21 | C22 | H50 | H52 | 120.0° | 120.0° |
| C21 | C22 | H51 | H52 | 120.0° | 119.9° |
| C22 | C21 | C20 | H49 | 0.0° | 0.1° |
| C31 | C30 | S27 | N25 | 89.0° | 95.1° |
| C31 | C30 | C35 | S27 | 179.9° | 180.0° |
| C31 | C30 | S27 | O28 | 24.6° | 18.4° |
| C31 | C30 | S27 | O29 | 157.8° | 151.3° |
| C31 | C30 | C35 | H62 | 179.9° | 180.0° |
| C30 | C31 | C32 | H59 | 180.0° | 180.0° |
| N25 | S27 | C30 | C35 | 90.9° | 84.9° |
| N25 | S27 | C30 | O28 | 113.5° | 113.5° |
| N25 | S27 | C30 | O29 | 113.3° | 113.6° |
| N25 | S27 | O28 | O29 | 123.5° | 123.0° |
| S27 | N25 | C24 | H53 | 33.0° | 26.1° |
| S27 | N25 | C24 | H54 | 86.3° | 146.1° |
| S27 | N25 | C26 | H56 | 34.4° | 94.5° |
| S27 | N25 | C26 | H57 | 85.5° | 25.5° |
| S27 | N25 | C26 | H55 | 154.5° | 145.4° |
| C35 | C30 | S27 | O28 | 155.5° | 161.6° |
| C35 | C30 | S27 | O29 | 22.3° | 28.8° |
| C35 | C30 | C31 | H58 | 179.9° | 180.0° |
| C30 | C35 | C34 | H61 | 180.0° | 179.7° |
| C30 | S27 | O28 | O29 | 127.1° | 122.9° |
| S27 | C30 | C31 | H58 | 0.0° | 0.0° |
| S27 | C30 | C35 | H62 | 0.0° | 0.0° |
| H40 | C1 | H38 | H39 | 120.0° | 120.0° |
| H43 | C11 | H44 | H45 | 120.0° | 120.0° |
| H37 | C13 | C14 | H47 | 64.3° | 65.0° |
| H37 | C13 | C14 | H46 | 177.0° | 175.0° |
| H48 | C19 | C20 | H49 | 0.0° | 0.0° |
| H50 | C22 | H51 | H52 | 120.0° | 120.1° |
| H56 | C26 | H57 | H55 | 120.0° | 120.0° |
| H58 | C31 | C32 | H59 | 0.0° | 0.3° |
| H62 | C35 | C34 | H61 | 0.0° | 0.2° |
| H59 | C32 | C33 | H60 | 0.1° | 0.0° |
| H60 | C33 | C34 | H61 | 0.1° | 0.0° |
