J8H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O17 | C15 | doub | 1.21Å | 1.25Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| O16 | C15 | sing | 1.34Å | 1.25Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| N10 | C12 | sing | 1.37Å | 1.35Å | Aromatic |
| N10 | N9 | sing | 1.29Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C7 | doub | 1.41Å | 1.36Å | 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 | 1.53Å | |
| C13 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | O29 | sing | 1.43Å | 1.44Å | |
| C27 | C26 | sing | 1.52Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| O29 | C30 | sing | 1.36Å | 1.38Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | N25 | sing | 1.46Å | 1.49Å | |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | N25 | sing | 1.46Å | 1.48Å | |
| C30 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| N25 | S36 | sing | 1.67Å | 1.62Å | |
| C33 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.37Å | 1.38Å | Aromatic |
| C35 | S36 | sing | 1.77Å | 1.77Å | |
| S36 | O37 | doub | 1.42Å | 1.43Å | |
| S36 | O38 | doub | 1.42Å | 1.43Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O16 | H2 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H60 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 118.1° | 117.0° |
| O2 | C1 | H1B | 109.5° | 109.5° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H1A | 109.4° | 109.5° |
| O17 | C15 | O16 | 124.9° | 120.0° |
| O17 | C15 | C14 | 115.7° | 120.0° |
| O2 | C3 | C4 | 125.6° | 120.2° |
| O2 | C3 | C12 | 115.3° | 120.2° |
| C11 | N10 | C12 | 130.2° | 125.9° |
| C11 | N10 | N9 | 119.9° | 126.0° |
| N10 | C11 | H11 | 109.5° | 109.5° |
| N10 | C11 | H11A | 109.5° | 109.5° |
| N10 | C11 | H11B | 109.5° | 109.5° |
| O16 | C15 | C14 | 119.4° | 120.0° |
| C15 | O16 | H2 | 109.5° | 117.0° |
| C15 | C14 | C13 | 114.2° | 109.5° |
| C15 | C14 | H14A | 108.3° | 109.5° |
| C15 | C14 | H14 | 108.3° | 109.5° |
| C4 | C3 | C12 | 119.1° | 119.5° |
| C3 | C4 | C5 | 121.5° | 120.5° |
| C3 | C4 | H4 | 119.3° | 119.8° |
| C3 | C12 | N10 | 134.1° | 135.0° |
| C3 | C12 | C7 | 120.6° | 119.7° |
| C12 | N10 | N9 | 110.0° | 108.1° |
| N10 | C12 | C7 | 105.3° | 105.2° |
| N10 | N9 | N8 | 107.4° | 111.7° |
| C4 | C5 | C6 | 118.1° | 120.7° |
| C4 | C5 | C13 | 122.2° | 119.7° |
| C5 | C4 | H4 | 119.3° | 119.7° |
| C12 | C7 | N8 | 109.4° | 105.7° |
| C12 | C7 | C6 | 120.3° | 119.6° |
| N9 | N8 | C7 | 108.0° | 109.2° |
| C14 | C13 | C5 | 113.5° | 109.5° |
| C14 | C13 | C18 | 111.1° | 109.5° |
| C14 | C13 | H13 | 106.5° | 109.5° |
| C13 | C14 | H14A | 108.3° | 109.5° |
| C13 | C14 | H14 | 108.3° | 109.5° |
| N8 | C7 | C6 | 130.3° | 134.8° |
| C7 | C6 | C5 | 120.4° | 119.9° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C6 | C5 | C13 | 119.7° | 119.6° |
| C5 | C6 | H6 | 119.8° | 120.1° |
| C5 | C13 | C18 | 112.2° | 109.5° |
| C5 | C13 | H13 | 106.5° | 109.5° |
| C13 | C18 | C39 | 121.6° | 120.0° |
| C13 | C18 | C19 | 120.1° | 120.0° |
| C18 | C13 | H13 | 106.5° | 109.5° |
| C39 | C18 | C19 | 118.3° | 120.0° |
| C18 | C39 | C23 | 122.1° | 120.0° |
| C18 | C39 | H39 | 118.9° | 119.9° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C39 | C23 | C24 | 119.9° | 120.0° |
| C39 | C23 | C21 | 118.9° | 120.0° |
| C23 | C39 | H39 | 118.9° | 120.1° |
| C19 | C20 | C21 | 121.0° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C19 | C20 | H20 | 119.5° | 120.0° |
| O29 | C27 | C26 | 112.1° | 111.4° |
| C27 | O29 | C30 | 116.4° | 115.9° |
| O29 | C27 | H60 | 108.8° | 109.1° |
| O29 | C27 | H27 | 108.8° | 109.1° |
| C27 | C26 | N25 | 113.2° | 113.2° |
| C27 | C26 | H26 | 108.5° | 108.7° |
| C27 | C26 | H26A | 108.5° | 108.7° |
| C26 | C27 | H60 | 108.8° | 109.1° |
| C26 | C27 | H27 | 108.8° | 109.1° |
| C24 | C23 | C21 | 121.2° | 120.0° |
| C23 | C24 | N25 | 113.0° | 109.5° |
| C23 | C24 | H24 | 108.6° | 109.4° |
| C23 | C24 | H24A | 108.6° | 109.5° |
| C23 | C21 | C20 | 119.2° | 120.0° |
| C23 | C21 | C22 | 122.0° | 120.0° |
| C32 | C31 | C30 | 120.0° | 119.8° |
| C31 | C32 | C33 | 120.1° | 120.7° |
| C32 | C31 | H31 | 120.0° | 120.1° |
| C31 | C32 | H32 | 120.0° | 119.7° |
| C31 | C30 | O29 | 117.5° | 120.0° |
| C31 | C30 | C35 | 119.9° | 118.9° |
| C30 | C31 | H31 | 120.0° | 120.1° |
| O29 | C30 | C35 | 122.5° | 121.2° |
| C20 | C21 | C22 | 118.8° | 120.0° |
| C21 | C20 | H20 | 119.5° | 120.0° |
| C26 | N25 | C24 | 115.0° | 120.4° |
| C26 | N25 | S36 | 117.1° | 119.1° |
| N25 | C26 | H26 | 108.5° | 108.7° |
| N25 | C26 | H26A | 108.5° | 108.8° |
| C32 | C33 | C34 | 120.0° | 119.8° |
| C33 | C32 | H32 | 119.9° | 119.7° |
| C32 | C33 | H33 | 120.0° | 120.1° |
| C24 | N25 | S36 | 119.2° | 120.4° |
| N25 | C24 | H24 | 108.6° | 109.4° |
| N25 | C24 | H24A | 108.6° | 109.5° |
| C30 | C35 | C34 | 120.4° | 121.6° |
| C30 | C35 | S36 | 121.3° | 117.2° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.4° | 109.5° |
| C21 | C22 | H22B | 109.4° | 109.5° |
| N25 | S36 | C35 | 106.3° | 105.1° |
| N25 | S36 | O37 | 107.9° | 106.8° |
| N25 | S36 | O38 | 107.4° | 106.7° |
| C33 | C34 | C35 | 119.6° | 119.3° |
| C34 | C33 | H33 | 120.0° | 120.1° |
| C33 | C34 | H34 | 120.2° | 120.4° |
| C34 | C35 | S36 | 118.3° | 121.2° |
| C35 | C34 | H34 | 120.2° | 120.4° |
| C35 | S36 | O37 | 107.6° | 106.7° |
| C35 | S36 | O38 | 108.1° | 106.7° |
| O37 | S36 | O38 | 118.9° | 123.6° |
| H1B | C1 | H1 | 109.5° | 109.4° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H11 | C11 | H11B | 109.4° | 109.4° |
| H11A | C11 | H11B | 109.4° | 109.5° |
| H14A | C14 | H14 | 109.5° | 109.4° |
| H22 | C22 | H22A | 109.5° | 109.4° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 108.7° |
| H60 | C27 | H27 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 7.5° | 0.0° |
| C1 | O2 | C3 | C12 | 172.4° | 179.7° |
| O2 | C1 | H1B | H1 | 120.0° | 120.0° |
| O2 | C1 | H1B | H1A | 120.0° | 120.0° |
| O2 | C1 | H1 | H1A | 120.0° | 120.1° |
| O17 | C15 | O16 | C14 | 180.0° | 179.9° |
| O17 | C15 | C14 | C13 | 136.4° | 0.0° |
| O17 | C15 | C14 | H14A | 102.9° | 120.0° |
| O17 | C15 | C14 | H14 | 15.7° | 120.1° |
| O17 | C15 | O16 | H2 | 0.0° | 0.1° |
| O2 | C3 | C4 | C12 | 179.9° | 179.7° |
| O2 | C3 | C12 | N10 | 0.0° | 0.7° |
| O2 | C3 | C4 | C5 | 180.0° | 180.0° |
| O2 | C3 | C12 | C7 | 179.9° | 179.8° |
| C3 | O2 | C1 | H1B | 180.0° | 180.0° |
| C3 | O2 | C1 | H1 | 60.0° | 60.1° |
| C3 | O2 | C1 | H1A | 60.0° | 60.0° |
| O2 | C3 | C4 | H4 | 0.0° | 0.0° |
| C11 | N10 | C12 | C3 | 0.0° | 0.0° |
| C11 | N10 | C12 | N9 | 179.9° | 179.5° |
| C11 | N10 | C12 | C7 | 180.0° | 179.1° |
| C11 | N10 | N9 | N8 | 180.0° | 179.2° |
| N10 | C11 | H11 | H11A | 120.0° | 120.0° |
| N10 | C11 | H11 | H11B | 120.0° | 120.0° |
| N10 | C11 | H11A | H11B | 120.0° | 120.1° |
| O16 | C15 | C14 | C13 | 43.6° | 180.0° |
| O16 | C15 | C14 | H14A | 77.1° | 60.0° |
| O16 | C15 | C14 | H14 | 164.3° | 60.0° |
| C15 | C14 | C13 | H14A | 120.7° | 120.0° |
| C15 | C14 | C13 | H14 | 120.7° | 120.0° |
| C15 | C14 | C13 | C5 | 61.9° | 175.0° |
| C15 | C14 | C13 | C18 | 170.5° | 65.0° |
| C15 | C14 | C13 | H13 | 54.9° | 55.0° |
| C15 | C14 | H14A | H14 | 117.8° | 120.0° |
| C14 | C15 | O16 | H2 | 180.0° | 180.0° |
| C4 | C3 | C12 | N10 | 179.9° | 179.6° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C4 | C3 | C12 | C7 | 0.0° | 0.5° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | C13 | 180.0° | 180.0° |
| C3 | C12 | N10 | C7 | 180.0° | 179.2° |
| C3 | C12 | N10 | N9 | 180.0° | 179.5° |
| C12 | C3 | C4 | C5 | 0.0° | 0.3° |
| C3 | C12 | C7 | N8 | 180.0° | 179.7° |
| C3 | C12 | C7 | C6 | 0.0° | 0.5° |
| C12 | C3 | C4 | H4 | 180.0° | 179.8° |
| C12 | N10 | N9 | N8 | 0.0° | 0.3° |
| N10 | C12 | C7 | N8 | 0.1° | 0.4° |
| N10 | C12 | C7 | C6 | 179.9° | 179.8° |
| C12 | N10 | C11 | H11 | 180.0° | 90.0° |
| C12 | N10 | C11 | H11A | 59.9° | 150.1° |
| C12 | N10 | C11 | H11B | 60.1° | 30.0° |
| N9 | N10 | C12 | C7 | 0.1° | 0.4° |
| N10 | N9 | N8 | C7 | 0.0° | 0.0° |
| N9 | N10 | C11 | H11 | 0.0° | 89.4° |
| N9 | N10 | C11 | H11A | 120.0° | 30.5° |
| N9 | N10 | C11 | H11B | 120.0° | 150.6° |
| C4 | C5 | C13 | C14 | 8.5° | 52.5° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | C13 | 179.9° | 180.0° |
| C4 | C5 | C13 | C18 | 118.5° | 67.5° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C5 | C13 | H13 | 125.3° | 172.5° |
| C12 | C7 | N8 | N9 | 0.0° | 0.2° |
| C12 | C7 | N8 | C6 | 180.0° | 179.8° |
| C12 | C7 | C6 | C5 | 0.1° | 0.2° |
| C12 | C7 | C6 | H6 | 179.9° | 179.8° |
| N9 | N8 | C7 | C6 | 180.0° | 180.0° |
| C14 | C13 | C5 | C6 | 171.4° | 127.5° |
| C14 | C13 | C5 | C18 | 127.0° | 120.0° |
| C14 | C13 | C5 | H13 | 116.9° | 120.0° |
| C14 | C13 | C18 | H13 | 115.6° | 120.0° |
| C14 | C13 | C18 | C39 | 83.9° | 127.9° |
| C14 | C13 | C18 | C19 | 96.1° | 52.4° |
| C13 | C14 | H14A | H14 | 117.9° | 120.0° |
| N8 | C7 | C6 | C5 | 180.0° | 180.0° |
| N8 | C7 | C6 | H6 | 0.1° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C13 | 180.0° | 180.0° |
| C6 | C5 | C13 | C18 | 61.6° | 112.6° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C6 | C5 | C13 | H13 | 54.6° | 7.4° |
| C5 | C13 | C18 | H13 | 116.1° | 120.0° |
| C5 | C13 | C18 | C39 | 44.4° | 112.1° |
| C5 | C13 | C18 | C19 | 135.7° | 67.6° |
| C13 | C5 | C4 | H4 | 0.0° | 0.0° |
| C13 | C5 | C6 | H6 | 0.0° | 0.0° |
| C5 | C13 | C14 | H14A | 177.4° | 55.0° |
| C5 | C13 | C14 | H14 | 58.7° | 65.0° |
| C13 | C18 | C39 | C19 | 180.0° | 179.7° |
| C13 | C18 | C39 | C23 | 180.0° | 179.8° |
| C13 | C18 | C19 | C20 | 180.0° | 180.0° |
| C18 | C13 | C14 | H14A | 49.8° | 175.0° |
| C18 | C13 | C14 | H14 | 68.8° | 55.0° |
| C13 | C18 | C19 | H19 | 0.0° | 0.0° |
| C13 | C18 | C39 | H39 | 0.1° | 0.0° |
| C18 | C39 | C23 | H39 | 180.0° | 179.8° |
| C39 | C18 | C19 | C20 | 0.0° | 0.2° |
| C18 | C39 | C23 | C24 | 179.9° | 179.8° |
| C18 | C39 | C23 | C21 | 0.0° | 0.4° |
| C39 | C18 | C13 | H13 | 160.5° | 7.9° |
| C39 | C18 | C19 | H19 | 180.0° | 179.7° |
| C19 | C18 | C39 | C23 | 0.0° | 0.5° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C18 | C13 | H13 | 19.5° | 172.4° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C19 | C18 | C39 | H39 | 179.9° | 179.8° |
| C39 | C23 | C24 | C21 | 180.0° | 179.8° |
| C39 | C23 | C21 | C20 | 0.0° | 0.1° |
| C39 | C23 | C24 | N25 | 103.5° | 99.8° |
| C39 | C23 | C21 | C22 | 180.0° | 179.8° |
| C39 | C23 | C24 | H24 | 136.0° | 20.2° |
| C39 | C23 | C24 | H24A | 17.0° | 140.1° |
| C19 | C20 | C21 | C23 | 0.1° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 180.0° | 180.0° |
| O29 | C27 | C26 | H60 | 120.4° | 120.6° |
| O29 | C27 | C26 | H27 | 120.4° | 120.5° |
| C27 | O29 | C30 | C31 | 111.0° | 106.6° |
| O29 | C27 | C26 | N25 | 69.8° | 64.8° |
| C27 | O29 | C30 | C35 | 69.0° | 72.7° |
| O29 | C27 | C26 | H26 | 50.7° | 56.1° |
| O29 | C27 | C26 | H26A | 169.6° | 174.3° |
| O29 | C27 | H60 | H27 | 118.8° | 119.0° |
| C26 | C27 | O29 | C30 | 89.7° | 95.8° |
| C27 | C26 | N25 | H26 | 120.6° | 120.9° |
| C27 | C26 | N25 | H26A | 120.5° | 120.9° |
| C27 | C26 | N25 | C24 | 77.4° | 117.0° |
| C27 | C26 | N25 | S36 | 70.1° | 62.7° |
| C27 | C26 | H26 | H26A | 118.3° | 118.1° |
| C26 | C27 | H60 | H27 | 118.8° | 119.0° |
| C24 | C23 | C21 | C20 | 180.0° | 179.9° |
| C23 | C24 | N25 | C26 | 61.0° | 84.7° |
| C23 | C24 | N25 | H24 | 120.5° | 120.0° |
| C23 | C24 | N25 | H24A | 120.5° | 120.0° |
| C24 | C23 | C21 | C22 | 0.1° | 0.0° |
| C23 | C24 | N25 | S36 | 152.2° | 95.0° |
| C23 | C24 | H24 | H24A | 118.4° | 120.0° |
| C24 | C23 | C39 | H39 | 0.1° | 0.0° |
| C23 | C21 | C20 | C22 | 179.9° | 179.9° |
| C21 | C23 | C24 | N25 | 76.4° | 80.0° |
| C23 | C21 | C20 | H20 | 180.0° | 180.0° |
| C23 | C21 | C22 | H22 | 90.0° | 90.0° |
| C23 | C21 | C22 | H22A | 149.9° | 30.0° |
| C23 | C21 | C22 | H22B | 30.0° | 150.0° |
| C21 | C23 | C24 | H24 | 44.1° | 160.0° |
| C21 | C23 | C24 | H24A | 163.1° | 40.1° |
| C21 | C23 | C39 | H39 | 180.0° | 179.8° |
| C32 | C31 | C30 | H31 | 180.0° | 179.9° |
| C32 | C31 | C30 | O29 | 180.0° | 177.4° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C32 | C31 | C30 | C35 | 0.0° | 1.9° |
| C31 | C32 | C33 | C34 | 0.0° | 1.2° |
| C31 | C32 | C33 | H33 | 179.9° | 178.9° |
| C31 | C30 | O29 | C35 | 179.9° | 179.3° |
| C30 | C31 | C32 | C33 | 0.0° | 0.2° |
| C31 | C30 | C35 | C34 | 0.1° | 3.2° |
| C31 | C30 | C35 | S36 | 180.0° | 174.5° |
| C30 | C31 | C32 | H32 | 180.0° | 179.8° |
| O29 | C30 | C35 | C34 | 180.0° | 176.1° |
| O29 | C30 | C35 | S36 | 0.0° | 6.2° |
| C30 | O29 | C27 | H60 | 149.9° | 143.6° |
| C30 | O29 | C27 | H27 | 30.7° | 24.7° |
| O29 | C30 | C31 | H31 | 0.0° | 2.8° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 90.0° | 90.0° |
| C20 | C21 | C22 | H22A | 30.0° | 150.0° |
| C20 | C21 | C22 | H22B | 150.0° | 30.1° |
| C26 | N25 | C24 | S36 | 146.8° | 179.7° |
| C26 | N25 | S36 | C35 | 73.6° | 74.1° |
| C26 | N25 | S36 | O37 | 41.6° | 172.9° |
| C26 | N25 | S36 | O38 | 170.9° | 39.0° |
| C26 | N25 | C24 | H24 | 178.5° | 155.3° |
| C26 | N25 | C24 | H24A | 59.5° | 35.3° |
| N25 | C26 | H26 | H26A | 118.3° | 118.3° |
| N25 | C26 | C27 | H60 | 169.8° | 174.6° |
| N25 | C26 | C27 | H27 | 50.6° | 55.6° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C33 | C32 | C31 | H31 | 180.0° | 179.9° |
| C32 | C33 | C34 | H34 | 180.0° | 179.9° |
| C24 | N25 | S36 | C35 | 72.6° | 105.7° |
| C24 | N25 | S36 | O37 | 172.3° | 7.4° |
| C24 | N25 | S36 | O38 | 42.9° | 141.3° |
| N25 | C24 | H24 | H24A | 118.4° | 120.0° |
| C24 | N25 | C26 | H26 | 162.0° | 122.1° |
| C24 | N25 | C26 | H26A | 43.1° | 3.9° |
| C30 | C35 | S36 | N25 | 55.4° | 62.3° |
| C30 | C35 | C34 | C33 | 0.1° | 2.3° |
| C30 | C35 | C34 | S36 | 180.0° | 177.6° |
| C30 | C35 | S36 | O37 | 59.9° | 175.4° |
| C30 | C35 | S36 | O38 | 170.5° | 50.8° |
| C35 | C30 | C31 | H31 | 180.0° | 177.9° |
| C30 | C35 | C34 | H34 | 180.0° | 177.7° |
| C22 | C21 | C20 | H20 | 0.0° | 0.1° |
| C21 | C22 | H22 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22B | 120.0° | 120.0° |
| C21 | C22 | H22A | H22B | 119.9° | 120.0° |
| N25 | S36 | C35 | C34 | 124.5° | 120.0° |
| N25 | S36 | C35 | O37 | 115.4° | 113.1° |
| N25 | S36 | C35 | O38 | 115.0° | 113.1° |
| N25 | S36 | O37 | O38 | 122.5° | 124.1° |
| S36 | N25 | C24 | H24 | 31.7° | 25.0° |
| S36 | N25 | C24 | H24A | 87.3° | 145.0° |
| S36 | N25 | C26 | H26 | 50.4° | 58.2° |
| S36 | N25 | C26 | H26A | 169.3° | 176.4° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | S36 | 180.0° | 175.3° |
| C34 | C33 | C32 | H32 | 179.9° | 178.8° |
| C34 | C35 | S36 | O37 | 120.1° | 6.9° |
| C34 | C35 | S36 | O38 | 9.5° | 126.9° |
| C35 | C34 | C33 | H33 | 179.9° | 179.9° |
| C35 | S36 | O37 | O38 | 123.2° | 123.9° |
| S36 | C35 | C34 | H34 | 0.0° | 4.7° |
| H1B | C1 | H1 | H1A | 120.0° | 120.0° |
| H11 | C11 | H11A | H11B | 120.0° | 119.9° |
| H13 | C13 | C14 | H14A | 65.8° | 65.0° |
| H13 | C13 | C14 | H14 | 175.6° | 175.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.1° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H26 | C26 | C27 | H60 | 69.7° | 64.5° |
| H26 | C26 | C27 | H27 | 171.1° | 176.6° |
| H26A | C26 | C27 | H60 | 49.2° | 53.7° |
| H26A | C26 | C27 | H27 | 70.0° | 65.3° |
| H31 | C31 | C32 | H32 | 0.0° | 0.1° |
| H32 | C32 | C33 | H33 | 0.1° | 1.1° |
| H33 | C33 | C34 | H34 | 0.0° | 0.2° |
