XB5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | O6 | sing | 1.36Å | 1.37Å | |
| O6 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | N9 | sing | 1.47Å | 1.50Å | |
| N9 | C10 | sing | 1.47Å | 1.49Å | |
| N9 | C11 | sing | 1.47Å | 1.49Å | |
| C5 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.50Å | |
| C14 | N15 | sing | 1.35Å | 1.34Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.49Å | 1.48Å | |
| C21 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C22 | N23 | sing | 1.35Å | 1.34Å | Aromatic |
| N23 | C24 | sing | 1.46Å | 1.46Å | |
| N23 | N25 | sing | 1.40Å | 1.35Å | Aromatic |
| N25 | C26 | doub | 1.31Å | 1.33Å | Aromatic |
| C20 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.48Å | 1.47Å | |
| C29 | N30 | doub | 1.32Å | 1.34Å | Aromatic |
| N30 | N31 | sing | 1.40Å | 1.35Å | Aromatic |
| N31 | C32 | sing | 1.46Å | 1.47Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| N31 | C34 | sing | 1.35Å | 1.35Å | Aromatic |
| C34 | C35 | doub | 1.35Å | 1.36Å | Aromatic |
| C28 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | O37 | doub | 1.22Å | 1.23Å | |
| C13 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C36 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C35 | C29 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H17C | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C24 | H24C | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33C | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C1 | C2 | C13 | 122.4° | 120.0° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C2 | C1 | H1C | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C3 | C4 | 122.1° | 120.2° |
| C3 | C2 | C13 | 118.0° | 119.9° |
| C2 | C3 | H3 | 118.9° | 119.9° |
| C3 | C4 | C5 | 119.6° | 120.3° |
| C3 | C4 | H4 | 120.2° | 119.9° |
| C4 | C3 | H3 | 118.9° | 119.9° |
| C4 | C5 | O6 | 113.1° | 120.0° |
| C4 | C5 | C12 | 120.1° | 120.0° |
| C5 | C4 | H4 | 120.2° | 119.9° |
| C5 | O6 | C7 | 118.6° | 117.0° |
| O6 | C5 | C12 | 126.8° | 120.0° |
| O6 | C7 | C8 | 108.6° | 109.5° |
| O6 | C7 | H7B | 109.7° | 109.5° |
| O6 | C7 | H7A | 109.7° | 109.5° |
| C7 | C8 | N9 | 114.9° | 109.4° |
| C8 | C7 | H7B | 109.7° | 109.4° |
| C8 | C7 | H7A | 109.7° | 109.4° |
| C7 | C8 | H8B | 108.1° | 109.5° |
| C7 | C8 | H8A | 108.1° | 109.5° |
| C8 | N9 | C10 | 111.1° | 111.0° |
| C8 | N9 | C11 | 112.5° | 111.0° |
| N9 | C8 | H8B | 108.1° | 109.5° |
| N9 | C8 | H8A | 108.1° | 109.5° |
| C10 | N9 | C11 | 110.5° | 111.0° |
| N9 | C10 | H10B | 109.5° | 109.5° |
| N9 | C10 | H10A | 109.5° | 109.5° |
| N9 | C10 | H10C | 109.5° | 109.5° |
| N9 | C11 | H11A | 109.5° | 109.5° |
| N9 | C11 | H11C | 109.5° | 109.4° |
| N9 | C11 | H11B | 109.5° | 109.4° |
| C5 | C12 | C13 | 120.2° | 119.7° |
| C5 | C12 | H12 | 119.9° | 120.1° |
| C12 | C13 | C14 | 119.6° | 120.1° |
| C12 | C13 | C2 | 120.0° | 119.8° |
| C13 | C12 | H12 | 119.9° | 120.1° |
| C13 | C14 | N15 | 117.0° | 120.0° |
| C13 | C14 | O37 | 120.8° | 120.0° |
| C14 | C13 | C2 | 120.4° | 120.1° |
| C14 | N15 | C16 | 122.3° | 120.0° |
| N15 | C14 | O37 | 122.2° | 120.0° |
| C14 | N15 | H15 | 118.9° | 120.0° |
| N15 | C16 | C17 | 109.1° | 109.5° |
| N15 | C16 | C18 | 113.5° | 109.5° |
| N15 | C16 | H16 | 107.7° | 109.4° |
| C16 | N15 | H15 | 118.9° | 120.0° |
| C17 | C16 | C18 | 112.2° | 109.5° |
| C17 | C16 | H16 | 107.0° | 109.5° |
| C16 | C17 | H17C | 109.5° | 109.5° |
| C16 | C17 | H17B | 109.5° | 109.5° |
| C16 | C17 | H17A | 109.5° | 109.5° |
| C16 | C18 | C19 | 121.4° | 119.9° |
| C16 | C18 | C36 | 120.0° | 119.9° |
| C18 | C16 | H16 | 107.1° | 109.5° |
| C18 | C19 | C20 | 121.1° | 120.1° |
| C19 | C18 | C36 | 118.6° | 120.2° |
| C18 | C19 | H19 | 119.4° | 120.0° |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C19 | C20 | C27 | 119.6° | 119.9° |
| C20 | C19 | H19 | 119.5° | 119.9° |
| C20 | C21 | C22 | 127.4° | 126.2° |
| C21 | C20 | C27 | 120.3° | 120.1° |
| C20 | C21 | C26 | 129.0° | 126.2° |
| C21 | C22 | N23 | 107.5° | 107.6° |
| C22 | C21 | C26 | 103.6° | 107.6° |
| C21 | C22 | H22 | 126.3° | 126.2° |
| C22 | N23 | C24 | 127.7° | 125.9° |
| C22 | N23 | N25 | 112.5° | 108.2° |
| N23 | C22 | H22 | 126.2° | 126.2° |
| C24 | N23 | N25 | 119.8° | 125.9° |
| N23 | C24 | H24C | 109.5° | 109.5° |
| N23 | C24 | H24B | 109.5° | 109.4° |
| N23 | C24 | H24A | 109.5° | 109.5° |
| N23 | N25 | C26 | 104.0° | 108.5° |
| N25 | C26 | C21 | 112.5° | 108.1° |
| N25 | C26 | H26 | 123.7° | 125.9° |
| C20 | C27 | C28 | 120.0° | 119.8° |
| C20 | C27 | H27 | 120.0° | 120.1° |
| C27 | C28 | C29 | 120.1° | 120.1° |
| C27 | C28 | C36 | 119.7° | 119.8° |
| C28 | C27 | H27 | 120.0° | 120.1° |
| C28 | C29 | N30 | 120.4° | 126.0° |
| C29 | C28 | C36 | 120.1° | 120.1° |
| C28 | C29 | C35 | 128.7° | 126.1° |
| C29 | N30 | N31 | 104.5° | 108.1° |
| N30 | C29 | C35 | 110.8° | 107.9° |
| N30 | N31 | C32 | 120.1° | 126.0° |
| N30 | N31 | C34 | 112.2° | 108.1° |
| N31 | C32 | C33 | 111.5° | 109.4° |
| C32 | N31 | C34 | 127.7° | 125.9° |
| N31 | C32 | H32A | 109.0° | 109.6° |
| N31 | C32 | H32B | 109.0° | 109.5° |
| C33 | C32 | H32A | 109.0° | 109.4° |
| C33 | C32 | H32B | 109.0° | 109.4° |
| C32 | C33 | H33A | 109.5° | 109.5° |
| C32 | C33 | H33C | 109.5° | 109.4° |
| C32 | C33 | H33B | 109.4° | 109.5° |
| N31 | C34 | C35 | 107.1° | 108.0° |
| N31 | C34 | H34 | 126.4° | 126.0° |
| C34 | C35 | C29 | 105.3° | 107.9° |
| C35 | C34 | H34 | 126.4° | 126.0° |
| C34 | C35 | H35 | 127.4° | 126.1° |
| C28 | C36 | C18 | 121.0° | 120.2° |
| C28 | C36 | H36 | 119.5° | 120.0° |
| C18 | C36 | H36 | 119.5° | 119.9° |
| C21 | C26 | H26 | 123.8° | 126.0° |
| C29 | C35 | H35 | 127.3° | 126.0° |
| H11A | C11 | H11C | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.4° | 109.5° |
| H11C | C11 | H11B | 109.5° | 109.5° |
| H1B | C1 | H1C | 109.4° | 109.5° |
| H1B | C1 | H1A | 109.4° | 109.5° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H17C | C17 | H17B | 109.4° | 109.4° |
| H17C | C17 | H17A | 109.5° | 109.5° |
| H17B | C17 | H17A | 109.5° | 109.4° |
| H24C | C24 | H24B | 109.4° | 109.4° |
| H24C | C24 | H24A | 109.5° | 109.5° |
| H24B | C24 | H24A | 109.5° | 109.5° |
| H10B | C10 | H10A | 109.5° | 109.5° |
| H10B | C10 | H10C | 109.5° | 109.4° |
| H10A | C10 | H10C | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H33A | C33 | H33C | 109.4° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H33C | C33 | H33B | 109.5° | 109.5° |
| H7B | C7 | H7A | 109.5° | 109.5° |
| H8B | C8 | H8A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C13 | 177.8° | 179.5° |
| C1 | C2 | C3 | C4 | 177.6° | 180.0° |
| C1 | C2 | C13 | C12 | 177.3° | 180.0° |
| C1 | C2 | C13 | C14 | 4.2° | 0.0° |
| C1 | C2 | C3 | H3 | 2.4° | 0.2° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C2 | C1 | H1C | H1A | 120.0° | 119.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C3 | C2 | C13 | C12 | 0.4° | 0.5° |
| C3 | C2 | C13 | C14 | 178.0° | 179.5° |
| C2 | C3 | C4 | H4 | 179.9° | 179.8° |
| C3 | C2 | C1 | H1B | 88.9° | 96.6° |
| C3 | C2 | C1 | H1C | 151.1° | 143.3° |
| C3 | C2 | C1 | H1A | 31.1° | 23.4° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | O6 | 179.5° | 180.0° |
| C3 | C4 | C5 | C12 | 0.3° | 0.1° |
| C4 | C3 | C2 | C13 | 0.2° | 0.4° |
| C4 | C5 | O6 | C12 | 179.8° | 180.0° |
| C4 | C5 | O6 | C7 | 160.0° | 0.0° |
| C4 | C5 | C12 | C13 | 0.1° | 0.0° |
| C4 | C5 | C12 | H12 | 179.9° | 179.7° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C5 | O6 | C7 | C8 | 127.8° | 180.0° |
| O6 | C5 | C12 | C13 | 179.7° | 180.0° |
| O6 | C5 | C12 | H12 | 0.3° | 0.3° |
| O6 | C5 | C4 | H4 | 0.5° | 0.0° |
| C5 | O6 | C7 | H7B | 8.0° | 60.0° |
| C5 | O6 | C7 | H7A | 112.3° | 60.1° |
| O6 | C7 | C8 | H7B | 119.9° | 120.1° |
| O6 | C7 | C8 | H7A | 119.9° | 120.0° |
| O6 | C7 | C8 | N9 | 82.2° | 65.0° |
| C7 | O6 | C5 | C12 | 19.8° | 180.0° |
| O6 | C7 | H7B | H7A | 120.4° | 120.1° |
| O6 | C7 | C8 | H8B | 38.6° | 175.0° |
| O6 | C7 | C8 | H8A | 157.0° | 55.0° |
| C7 | C8 | N9 | H8B | 120.8° | 120.0° |
| C7 | C8 | N9 | H8A | 120.8° | 120.0° |
| C7 | C8 | N9 | C10 | 168.9° | 170.0° |
| C7 | C8 | N9 | C11 | 66.6° | 66.1° |
| C8 | C7 | H7B | H7A | 120.4° | 119.9° |
| C7 | C8 | H8B | H8A | 117.5° | 120.0° |
| C8 | N9 | C10 | C11 | 125.6° | 124.0° |
| C8 | N9 | C11 | H11A | 180.0° | 60.0° |
| C8 | N9 | C11 | H11C | 60.0° | 180.0° |
| C8 | N9 | C11 | H11B | 60.0° | 60.0° |
| C8 | N9 | C10 | H10B | 180.0° | 59.9° |
| C8 | N9 | C10 | H10A | 60.0° | 180.0° |
| C8 | N9 | C10 | H10C | 60.0° | 60.0° |
| N9 | C8 | C7 | H7B | 158.0° | 175.0° |
| N9 | C8 | C7 | H7A | 37.7° | 55.0° |
| N9 | C8 | H8B | H8A | 117.5° | 120.0° |
| C10 | N9 | C11 | H11A | 55.1° | 64.0° |
| C10 | N9 | C11 | H11C | 175.2° | 56.1° |
| C10 | N9 | C11 | H11B | 64.8° | 176.0° |
| N9 | C10 | H10B | H10A | 120.0° | 120.0° |
| N9 | C10 | H10B | H10C | 120.0° | 119.9° |
| N9 | C10 | H10A | H10C | 120.0° | 120.0° |
| C10 | N9 | C8 | H8B | 70.3° | 70.0° |
| C10 | N9 | C8 | H8A | 48.1° | 50.0° |
| N9 | C11 | H11A | H11C | 120.0° | 120.0° |
| N9 | C11 | H11A | H11B | 120.0° | 120.0° |
| N9 | C11 | H11C | H11B | 120.0° | 119.9° |
| C11 | N9 | C10 | H10B | 54.4° | 176.1° |
| C11 | N9 | C10 | H10A | 65.6° | 56.0° |
| C11 | N9 | C10 | H10C | 174.4° | 64.0° |
| C11 | N9 | C8 | H8B | 54.2° | 53.9° |
| C11 | N9 | C8 | H8A | 172.6° | 174.0° |
| C5 | C12 | C13 | H12 | 180.0° | 179.7° |
| C5 | C12 | C13 | C14 | 178.2° | 179.8° |
| C5 | C12 | C13 | C2 | 0.2° | 0.3° |
| C12 | C5 | C4 | H4 | 179.7° | 180.0° |
| C12 | C13 | C14 | C2 | 178.5° | 180.0° |
| C12 | C13 | C14 | N15 | 78.2° | 6.2° |
| C12 | C13 | C14 | O37 | 102.4° | 173.7° |
| C13 | C14 | N15 | O37 | 179.4° | 179.9° |
| C13 | C14 | N15 | C16 | 175.4° | 179.9° |
| C14 | C13 | C12 | H12 | 1.7° | 0.0° |
| C13 | C14 | N15 | H15 | 4.6° | 0.0° |
| C14 | N15 | C16 | H15 | 180.0° | 179.9° |
| C14 | N15 | C16 | C17 | 161.7° | 85.0° |
| C14 | N15 | C16 | C18 | 72.4° | 155.0° |
| N15 | C14 | C13 | C2 | 100.3° | 173.8° |
| C14 | N15 | C16 | H16 | 45.9° | 35.0° |
| N15 | C16 | C17 | C18 | 126.6° | 120.0° |
| N15 | C16 | C17 | H16 | 116.3° | 120.0° |
| N15 | C16 | C18 | H16 | 118.7° | 120.0° |
| N15 | C16 | C18 | C19 | 107.8° | 140.0° |
| C16 | N15 | C14 | O37 | 4.0° | 0.0° |
| N15 | C16 | C18 | C36 | 72.9° | 40.0° |
| N15 | C16 | C17 | H17C | 180.0° | 60.0° |
| N15 | C16 | C17 | H17B | 60.0° | 180.0° |
| N15 | C16 | C17 | H17A | 60.0° | 60.0° |
| C17 | C16 | C18 | H16 | 117.1° | 120.0° |
| C17 | C16 | C18 | C19 | 128.0° | 100.0° |
| C17 | C16 | C18 | C36 | 51.3° | 80.0° |
| C16 | C17 | H17C | H17B | 120.0° | 120.0° |
| C16 | C17 | H17C | H17A | 120.0° | 120.1° |
| C16 | C17 | H17B | H17A | 120.0° | 120.0° |
| C17 | C16 | N15 | H15 | 18.2° | 95.1° |
| C16 | C18 | C19 | C36 | 179.3° | 180.0° |
| C16 | C18 | C19 | C20 | 179.5° | 180.0° |
| C16 | C18 | C36 | C28 | 179.4° | 179.7° |
| C16 | C18 | C19 | H19 | 0.5° | 0.0° |
| C18 | C16 | C17 | H17C | 53.4° | 180.0° |
| C18 | C16 | C17 | H17B | 66.6° | 60.0° |
| C18 | C16 | C17 | H17A | 173.4° | 60.0° |
| C16 | C18 | C36 | H36 | 0.6° | 0.0° |
| C18 | C16 | N15 | H15 | 107.6° | 25.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 177.8° | 180.0° |
| C18 | C19 | C20 | C27 | 0.2° | 0.3° |
| C19 | C18 | C36 | C28 | 0.2° | 0.3° |
| C19 | C18 | C16 | H16 | 10.9° | 20.0° |
| C19 | C18 | C36 | H36 | 179.8° | 180.0° |
| C19 | C20 | C21 | C27 | 178.1° | 179.7° |
| C19 | C20 | C21 | C22 | 174.0° | 179.7° |
| C19 | C20 | C27 | C28 | 0.2° | 0.3° |
| C20 | C19 | C18 | C36 | 0.2° | 0.0° |
| C19 | C20 | C21 | C26 | 4.6° | 0.0° |
| C19 | C20 | C27 | H27 | 179.8° | 179.8° |
| C20 | C21 | C22 | C26 | 178.9° | 179.8° |
| C20 | C21 | C22 | N23 | 178.9° | 180.0° |
| C20 | C21 | C26 | N25 | 178.9° | 179.7° |
| C21 | C20 | C27 | C28 | 177.8° | 180.0° |
| C21 | C20 | C19 | H19 | 2.2° | 0.1° |
| C20 | C21 | C22 | H22 | 1.2° | 0.0° |
| C20 | C21 | C26 | H26 | 1.1° | 0.2° |
| C21 | C20 | C27 | H27 | 2.2° | 0.1° |
| C21 | C22 | N23 | H22 | 180.0° | 180.0° |
| C21 | C22 | N23 | C24 | 179.2° | 180.0° |
| C21 | C22 | N23 | N25 | 0.0° | 0.4° |
| C22 | C21 | C26 | N25 | 0.0° | 0.0° |
| C22 | C21 | C20 | C27 | 4.1° | 0.0° |
| C22 | C21 | C26 | H26 | 180.0° | 180.0° |
| C22 | N23 | C24 | N25 | 179.2° | 179.6° |
| C22 | N23 | N25 | C26 | 0.0° | 0.4° |
| N23 | C22 | C21 | C26 | 0.0° | 0.2° |
| C22 | N23 | C24 | H24C | 179.2° | 90.0° |
| C22 | N23 | C24 | H24B | 59.2° | 150.0° |
| C22 | N23 | C24 | H24A | 60.8° | 30.1° |
| C24 | N23 | N25 | C26 | 179.3° | 180.0° |
| N23 | C24 | H24C | H24B | 120.0° | 119.9° |
| N23 | C24 | H24C | H24A | 120.0° | 120.1° |
| N23 | C24 | H24B | H24A | 120.0° | 120.0° |
| C24 | N23 | C22 | H22 | 0.8° | 0.0° |
| N23 | N25 | C26 | C21 | 0.0° | 0.3° |
| N25 | N23 | C24 | H24C | 0.0° | 89.6° |
| N25 | N23 | C24 | H24B | 120.0° | 30.4° |
| N25 | N23 | C24 | H24A | 120.0° | 150.3° |
| N25 | N23 | C22 | H22 | 179.9° | 179.6° |
| N23 | N25 | C26 | H26 | 179.9° | 179.8° |
| N25 | C26 | C21 | H26 | 180.0° | 179.9° |
| C20 | C27 | C28 | H27 | 180.0° | 179.9° |
| C20 | C27 | C28 | C29 | 178.5° | 180.0° |
| C20 | C27 | C28 | C36 | 0.2° | 0.0° |
| C27 | C20 | C21 | C26 | 177.4° | 179.7° |
| C27 | C20 | C19 | H19 | 179.7° | 179.8° |
| C27 | C28 | C29 | C36 | 178.6° | 179.9° |
| C27 | C28 | C29 | N30 | 161.6° | 175.0° |
| C27 | C28 | C36 | C18 | 0.2° | 0.2° |
| C27 | C28 | C29 | C35 | 15.2° | 5.4° |
| C27 | C28 | C36 | H36 | 179.9° | 180.0° |
| C28 | C29 | N30 | C35 | 177.3° | 179.7° |
| C28 | C29 | N30 | N31 | 177.2° | 179.9° |
| C28 | C29 | C35 | C34 | 177.0° | 179.9° |
| C29 | C28 | C36 | C18 | 178.5° | 179.7° |
| C29 | C28 | C27 | H27 | 1.5° | 0.1° |
| C28 | C29 | C35 | H35 | 3.0° | 0.1° |
| C29 | C28 | C36 | H36 | 1.5° | 0.0° |
| C29 | N30 | N31 | C32 | 178.6° | 180.0° |
| C29 | N30 | N31 | C34 | 0.1° | 0.2° |
| N30 | C29 | C35 | C34 | 0.0° | 0.2° |
| N30 | C29 | C28 | C36 | 17.1° | 4.9° |
| N30 | C29 | C35 | H35 | 180.0° | 179.8° |
| N30 | N31 | C32 | C34 | 178.5° | 179.9° |
| N30 | N31 | C32 | C33 | 168.2° | 55.0° |
| N30 | N31 | C34 | C35 | 0.1° | 0.0° |
| N31 | N30 | C29 | C35 | 0.0° | 0.2° |
| N30 | N31 | C32 | H32A | 71.5° | 175.0° |
| N30 | N31 | C32 | H32B | 47.9° | 64.9° |
| N30 | N31 | C34 | H34 | 179.9° | 179.8° |
| N31 | C32 | C33 | H32A | 120.3° | 120.0° |
| N31 | C32 | C33 | H32B | 120.3° | 120.0° |
| C32 | N31 | C34 | C35 | 178.5° | 179.9° |
| N31 | C32 | H32A | H32B | 119.1° | 120.1° |
| N31 | C32 | C33 | H33A | 180.0° | 180.0° |
| N31 | C32 | C33 | H33C | 60.0° | 60.0° |
| N31 | C32 | C33 | H33B | 60.0° | 60.0° |
| C32 | N31 | C34 | H34 | 1.5° | 0.0° |
| C33 | C32 | N31 | C34 | 13.3° | 124.8° |
| C33 | C32 | H32A | H32B | 119.1° | 120.0° |
| C32 | C33 | H33A | H33C | 120.0° | 120.0° |
| C32 | C33 | H33A | H33B | 120.0° | 120.0° |
| C32 | C33 | H33C | H33B | 120.0° | 120.0° |
| N31 | C34 | C35 | H34 | 180.0° | 179.8° |
| N31 | C34 | C35 | C29 | 0.0° | 0.1° |
| C34 | N31 | C32 | H32A | 107.0° | 4.9° |
| C34 | N31 | C32 | H32B | 133.6° | 115.2° |
| N31 | C34 | C35 | H35 | 180.0° | 179.9° |
| C34 | C35 | C29 | H35 | 180.0° | 180.0° |
| C28 | C36 | C18 | H36 | 180.0° | 179.7° |
| C36 | C28 | C29 | C35 | 166.2° | 174.7° |
| C36 | C28 | C27 | H27 | 179.8° | 180.0° |
| O37 | C14 | C13 | C2 | 79.1° | 6.3° |
| O37 | C14 | N15 | H15 | 176.0° | 179.9° |
| C2 | C13 | C12 | H12 | 179.8° | 180.0° |
| C13 | C2 | C3 | H3 | 179.8° | 179.7° |
| C13 | C2 | C1 | H1B | 88.8° | 82.9° |
| C13 | C2 | C1 | H1C | 31.2° | 37.1° |
| C13 | C2 | C1 | H1A | 151.2° | 157.1° |
| C36 | C18 | C16 | H16 | 168.4° | 159.9° |
| C36 | C18 | C19 | H19 | 179.8° | 179.9° |
| C26 | C21 | C22 | H22 | 180.0° | 179.8° |
| C29 | C35 | C34 | H34 | 180.0° | 180.0° |
| H11A | C11 | H11C | H11B | 119.9° | 120.1° |
| H4 | C4 | C3 | H3 | 0.2° | 0.1° |
| H1B | C1 | H1C | H1A | 119.9° | 120.1° |
| H16 | C16 | C17 | H17C | 63.8° | 59.9° |
| H16 | C16 | C17 | H17B | 176.3° | 60.0° |
| H16 | C16 | C17 | H17A | 56.3° | 180.0° |
| H16 | C16 | N15 | H15 | 134.1° | 144.9° |
| H17C | C17 | H17B | H17A | 120.0° | 120.0° |
| H24C | C24 | H24B | H24A | 120.0° | 120.0° |
| H10B | C10 | H10A | H10C | 120.0° | 119.9° |
| H32A | C32 | C33 | H33A | 59.7° | 60.0° |
| H32A | C32 | C33 | H33C | 179.7° | 60.0° |
| H32A | C32 | C33 | H33B | 60.3° | 180.0° |
| H32B | C32 | C33 | H33A | 59.7° | 60.0° |
| H32B | C32 | C33 | H33C | 60.3° | 180.0° |
| H32B | C32 | C33 | H33B | 179.7° | 60.0° |
| H33A | C33 | H33C | H33B | 120.0° | 120.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.0° |
| H7B | C7 | C8 | H8B | 81.3° | 55.0° |
| H7B | C7 | C8 | H8A | 37.1° | 65.1° |
| H7A | C7 | C8 | H8B | 158.5° | 65.0° |
| H7A | C7 | C8 | H8A | 83.1° | 174.9° |
