XYR
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 | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.50Å | |
| C4 | N5 | sing | 1.35Å | 1.34Å | |
| N5 | C6 | sing | 1.46Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.48Å | |
| C11 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | N13 | sing | 1.35Å | 1.34Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.42Å | |
| C14 | F15 | sing | 1.40Å | 1.35Å | |
| C14 | F16 | sing | 1.40Å | 1.35Å | |
| N13 | N17 | sing | 1.40Å | 1.36Å | Aromatic |
| N17 | C18 | doub | 1.31Å | 1.32Å | Aromatic |
| C10 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.49Å | 1.49Å | |
| C21 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C22 | N23 | sing | 1.35Å | 1.35Å | Aromatic |
| N23 | C24 | sing | 1.46Å | 1.46Å | |
| N23 | N25 | sing | 1.40Å | 1.35Å | Aromatic |
| N25 | C26 | doub | 1.31Å | 1.32Å | Aromatic |
| C20 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | O28 | doub | 1.22Å | 1.23Å | |
| C3 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | O31 | sing | 1.36Å | 1.37Å | |
| O31 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C33 | sing | 1.53Å | 1.47Å | |
| C33 | N34 | sing | 1.47Å | 1.49Å | |
| N34 | C35 | sing | 1.47Å | 1.49Å | |
| N34 | C36 | sing | 1.47Å | 1.49Å | |
| C30 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C26 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24C | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35C | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C36 | H36C | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C7 | H7C | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 122.3° | 120.0° |
| C1 | C2 | C38 | 119.7° | 120.0° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.4° | 109.4° |
| C2 | C3 | C4 | 120.5° | 120.1° |
| C2 | C3 | C29 | 120.0° | 119.8° |
| C3 | C2 | C38 | 118.0° | 119.9° |
| C3 | C4 | N5 | 116.9° | 120.0° |
| C3 | C4 | O28 | 120.9° | 120.0° |
| C4 | C3 | C29 | 119.5° | 120.1° |
| C4 | N5 | C6 | 121.9° | 120.0° |
| N5 | C4 | O28 | 122.2° | 120.0° |
| C4 | N5 | H5 | 119.1° | 120.0° |
| N5 | C6 | C7 | 108.8° | 109.5° |
| N5 | C6 | C8 | 112.3° | 109.5° |
| N5 | C6 | H6 | 108.2° | 109.4° |
| C6 | N5 | H5 | 119.0° | 120.0° |
| C7 | C6 | C8 | 112.4° | 109.5° |
| C7 | C6 | H6 | 107.4° | 109.5° |
| C6 | C7 | H7C | 109.5° | 109.4° |
| C6 | C7 | H7B | 109.4° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| C6 | C8 | C9 | 121.6° | 119.9° |
| C6 | C8 | C27 | 119.8° | 119.9° |
| C8 | C6 | H6 | 107.5° | 109.5° |
| C8 | C9 | C10 | 121.1° | 120.1° |
| C9 | C8 | C27 | 118.5° | 120.3° |
| C8 | C9 | H9 | 119.5° | 119.9° |
| C9 | C10 | C11 | 120.0° | 120.1° |
| C9 | C10 | C19 | 119.8° | 119.9° |
| C10 | C9 | H9 | 119.5° | 119.9° |
| C10 | C11 | C12 | 127.1° | 126.2° |
| C11 | C10 | C19 | 120.2° | 120.1° |
| C10 | C11 | C18 | 129.0° | 126.2° |
| C11 | C12 | N13 | 107.3° | 107.6° |
| C12 | C11 | C18 | 103.9° | 107.6° |
| C11 | C12 | H12 | 126.4° | 126.2° |
| C12 | N13 | C14 | 128.3° | 125.9° |
| C12 | N13 | N17 | 112.3° | 108.2° |
| N13 | C12 | H12 | 126.3° | 126.2° |
| N13 | C14 | F15 | 109.7° | 109.4° |
| N13 | C14 | F16 | 109.7° | 109.5° |
| C14 | N13 | N17 | 119.3° | 125.9° |
| N13 | C14 | H14 | 109.9° | 109.5° |
| F15 | C14 | F16 | 105.4° | 109.5° |
| F15 | C14 | H14 | 111.0° | 109.4° |
| F16 | C14 | H14 | 111.1° | 109.5° |
| N13 | N17 | C18 | 104.2° | 108.5° |
| N17 | C18 | C11 | 112.3° | 108.0° |
| N17 | C18 | H18 | 123.9° | 126.0° |
| C10 | C19 | C20 | 119.9° | 119.8° |
| C10 | C19 | H19 | 120.1° | 120.1° |
| C19 | C20 | C21 | 120.1° | 120.1° |
| C19 | C20 | C27 | 119.7° | 119.9° |
| C20 | C19 | H19 | 120.0° | 120.1° |
| C20 | C21 | C22 | 127.3° | 126.2° |
| C21 | C20 | C27 | 120.2° | 120.0° |
| C20 | C21 | C26 | 128.8° | 126.2° |
| C21 | C22 | N23 | 107.4° | 107.6° |
| C22 | C21 | C26 | 103.9° | 107.6° |
| C21 | C22 | H22 | 126.3° | 126.2° |
| C22 | N23 | C24 | 127.5° | 125.9° |
| C22 | N23 | N25 | 112.0° | 108.2° |
| N23 | C22 | H22 | 126.3° | 126.2° |
| C24 | N23 | N25 | 120.5° | 125.9° |
| N23 | C24 | H24C | 109.5° | 109.5° |
| N23 | C24 | H24B | 109.5° | 109.5° |
| N23 | C24 | H24A | 109.5° | 109.5° |
| N23 | N25 | C26 | 105.0° | 108.6° |
| N25 | C26 | C21 | 111.7° | 108.0° |
| N25 | C26 | H26 | 124.1° | 126.0° |
| C20 | C27 | C8 | 121.1° | 120.1° |
| C20 | C27 | H27 | 119.5° | 120.0° |
| C3 | C29 | C30 | 120.2° | 119.8° |
| C3 | C29 | H29 | 119.9° | 120.1° |
| C29 | C30 | O31 | 121.9° | 120.0° |
| C29 | C30 | C37 | 120.2° | 120.0° |
| C30 | C29 | H29 | 119.9° | 120.1° |
| C30 | O31 | C32 | 117.5° | 117.0° |
| O31 | C30 | C37 | 117.9° | 120.0° |
| O31 | C32 | C33 | 105.7° | 109.5° |
| O31 | C32 | H32B | 110.4° | 109.5° |
| O31 | C32 | H32A | 110.4° | 109.5° |
| C32 | C33 | N34 | 112.8° | 109.5° |
| C33 | C32 | H32B | 110.4° | 109.5° |
| C33 | C32 | H32A | 110.4° | 109.4° |
| C32 | C33 | H33B | 108.6° | 109.5° |
| C32 | C33 | H33A | 108.6° | 109.5° |
| C33 | N34 | C35 | 111.1° | 111.0° |
| C33 | N34 | C36 | 111.7° | 111.0° |
| N34 | C33 | H33B | 108.6° | 109.5° |
| N34 | C33 | H33A | 108.6° | 109.5° |
| C35 | N34 | C36 | 110.7° | 111.0° |
| N34 | C35 | H35A | 109.5° | 109.5° |
| N34 | C35 | H35C | 109.5° | 109.5° |
| N34 | C35 | H35B | 109.5° | 109.4° |
| N34 | C36 | H36A | 109.5° | 109.4° |
| N34 | C36 | H36B | 109.5° | 109.5° |
| N34 | C36 | H36C | 109.5° | 109.4° |
| C30 | C37 | C38 | 119.5° | 120.3° |
| C30 | C37 | H37 | 120.3° | 119.9° |
| C37 | C38 | C2 | 122.1° | 120.2° |
| C38 | C37 | H37 | 120.2° | 119.8° |
| C37 | C38 | H38 | 119.0° | 119.9° |
| C2 | C38 | H38 | 119.0° | 119.9° |
| C8 | C27 | H27 | 119.5° | 120.0° |
| C11 | C18 | H18 | 123.8° | 126.0° |
| C21 | C26 | H26 | 124.2° | 126.0° |
| H1B | C1 | H1A | 109.4° | 109.4° |
| H1B | C1 | H1C | 109.5° | 109.5° |
| H1A | C1 | H1C | 109.5° | 109.5° |
| H24C | C24 | H24B | 109.5° | 109.5° |
| H24C | C24 | H24A | 109.4° | 109.4° |
| H24B | C24 | H24A | 109.4° | 109.5° |
| H32B | C32 | H32A | 109.5° | 109.4° |
| H33B | C33 | H33A | 109.5° | 109.5° |
| H35A | C35 | H35C | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.4° |
| H35C | C35 | H35B | 109.4° | 109.4° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| H36A | C36 | H36C | 109.5° | 109.5° |
| H36B | C36 | H36C | 109.5° | 109.5° |
| H7C | C7 | H7B | 109.5° | 109.5° |
| H7C | C7 | H7A | 109.4° | 109.5° |
| H7B | C7 | H7A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C38 | 178.3° | 179.8° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C1 | C2 | C3 | C29 | 178.2° | 180.0° |
| C1 | C2 | C38 | C37 | 178.3° | 179.7° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C1 | C2 | C38 | H38 | 1.7° | 0.2° |
| C2 | C3 | C4 | C29 | 179.2° | 180.0° |
| C2 | C3 | C4 | N5 | 101.3° | 173.8° |
| C2 | C3 | C4 | O28 | 77.9° | 6.2° |
| C2 | C3 | C29 | C30 | 0.0° | 0.0° |
| C3 | C2 | C38 | C37 | 0.1° | 0.5° |
| C3 | C2 | C1 | H1B | 90.9° | 83.1° |
| C3 | C2 | C1 | H1A | 149.1° | 156.9° |
| C3 | C2 | C1 | H1C | 29.1° | 36.9° |
| C2 | C3 | C29 | H29 | 180.0° | 180.0° |
| C3 | C2 | C38 | H38 | 179.9° | 180.0° |
| C3 | C4 | N5 | O28 | 179.2° | 180.0° |
| C3 | C4 | N5 | C6 | 176.2° | 180.0° |
| C4 | C3 | C29 | C30 | 179.2° | 180.0° |
| C4 | C3 | C2 | C38 | 179.2° | 179.7° |
| C4 | C3 | C29 | H29 | 0.8° | 0.0° |
| C3 | C4 | N5 | H5 | 3.8° | 0.0° |
| C4 | N5 | C6 | H5 | 180.0° | 180.0° |
| C4 | N5 | C6 | C7 | 164.5° | 85.0° |
| C4 | N5 | C6 | C8 | 70.4° | 155.0° |
| N5 | C4 | C3 | C29 | 79.5° | 6.2° |
| C4 | N5 | C6 | H6 | 48.1° | 35.0° |
| N5 | C6 | C7 | C8 | 125.1° | 120.0° |
| N5 | C6 | C7 | H6 | 116.9° | 120.0° |
| N5 | C6 | C8 | H6 | 118.9° | 120.0° |
| N5 | C6 | C8 | C9 | 70.3° | 40.1° |
| C6 | N5 | C4 | O28 | 3.1° | 0.0° |
| N5 | C6 | C8 | C27 | 109.9° | 140.0° |
| N5 | C6 | C7 | H7C | 180.0° | 60.0° |
| N5 | C6 | C7 | H7B | 60.0° | 60.0° |
| N5 | C6 | C7 | H7A | 60.0° | 180.0° |
| C7 | C6 | C8 | H6 | 118.0° | 120.0° |
| C7 | C6 | C8 | C9 | 52.9° | 80.0° |
| C7 | C6 | C8 | C27 | 127.0° | 99.9° |
| C6 | C7 | H7C | H7B | 120.0° | 120.0° |
| C6 | C7 | H7C | H7A | 120.0° | 120.0° |
| C6 | C7 | H7B | H7A | 120.0° | 120.0° |
| C7 | C6 | N5 | H5 | 15.5° | 95.0° |
| C6 | C8 | C9 | C27 | 179.9° | 179.9° |
| C6 | C8 | C9 | C10 | 180.0° | 180.0° |
| C6 | C8 | C27 | C20 | 180.0° | 179.5° |
| C6 | C8 | C9 | H9 | 0.1° | 0.2° |
| C6 | C8 | C27 | H27 | 0.0° | 0.4° |
| C8 | C6 | C7 | H7C | 54.9° | 60.0° |
| C8 | C6 | C7 | H7B | 65.1° | 180.0° |
| C8 | C6 | C7 | H7A | 174.9° | 60.0° |
| C8 | C6 | N5 | H5 | 109.6° | 25.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C8 | C9 | C10 | C11 | 177.9° | 179.7° |
| C8 | C9 | C10 | C19 | 0.1° | 0.2° |
| C9 | C8 | C27 | C20 | 0.1° | 0.6° |
| C9 | C8 | C6 | H6 | 170.9° | 160.0° |
| C9 | C8 | C27 | H27 | 179.9° | 179.5° |
| C9 | C10 | C11 | C19 | 178.0° | 179.9° |
| C9 | C10 | C11 | C12 | 17.1° | 180.0° |
| C9 | C10 | C19 | C20 | 0.2° | 0.0° |
| C10 | C9 | C8 | C27 | 0.1° | 0.0° |
| C9 | C10 | C11 | C18 | 163.5° | 0.3° |
| C9 | C10 | C19 | H19 | 179.8° | 180.0° |
| C10 | C11 | C12 | C18 | 179.6° | 179.7° |
| C10 | C11 | C12 | N13 | 179.5° | 180.0° |
| C10 | C11 | C18 | N17 | 179.5° | 180.0° |
| C11 | C10 | C19 | C20 | 177.8° | 180.0° |
| C11 | C10 | C9 | H9 | 2.1° | 0.0° |
| C10 | C11 | C12 | H12 | 0.5° | 0.1° |
| C10 | C11 | C18 | H18 | 0.5° | 0.2° |
| C11 | C10 | C19 | H19 | 2.2° | 0.1° |
| C11 | C12 | N13 | H12 | 180.0° | 179.9° |
| C11 | C12 | N13 | C14 | 177.5° | 179.9° |
| C11 | C12 | N13 | N17 | 0.1° | 0.2° |
| C12 | C11 | C18 | N17 | 0.0° | 0.3° |
| C12 | C11 | C10 | C19 | 161.0° | 0.1° |
| C12 | C11 | C18 | H18 | 179.9° | 179.9° |
| C12 | N13 | C14 | N17 | 177.5° | 179.7° |
| C12 | N13 | C14 | F15 | 102.1° | 150.0° |
| C12 | N13 | C14 | F16 | 142.6° | 30.0° |
| C12 | N13 | N17 | C18 | 0.1° | 0.0° |
| N13 | C12 | C11 | C18 | 0.1° | 0.3° |
| C12 | N13 | C14 | H14 | 20.2° | 90.0° |
| N13 | C14 | F15 | F16 | 118.0° | 120.0° |
| N13 | C14 | F15 | H14 | 121.6° | 120.0° |
| N13 | C14 | F16 | H14 | 121.7° | 120.0° |
| C14 | N13 | N17 | C18 | 177.7° | 179.8° |
| C14 | N13 | C12 | H12 | 2.5° | 0.1° |
| F15 | C14 | F16 | H14 | 120.3° | 120.0° |
| F15 | C14 | N13 | N17 | 75.4° | 30.3° |
| F16 | C14 | N13 | N17 | 39.9° | 150.3° |
| N13 | N17 | C18 | C11 | 0.0° | 0.2° |
| N17 | N13 | C12 | H12 | 179.9° | 179.9° |
| N17 | N13 | C14 | H14 | 162.3° | 89.7° |
| N13 | N17 | C18 | H18 | 180.0° | 180.0° |
| N17 | C18 | C11 | H18 | 180.0° | 179.8° |
| C10 | C19 | C20 | H19 | 180.0° | 179.9° |
| C10 | C19 | C20 | C21 | 176.2° | 179.8° |
| C10 | C19 | C20 | C27 | 0.3° | 0.6° |
| C19 | C10 | C11 | C18 | 18.5° | 179.7° |
| C19 | C10 | C9 | H9 | 179.9° | 179.9° |
| C19 | C20 | C21 | C27 | 176.4° | 179.2° |
| C19 | C20 | C21 | C22 | 12.1° | 0.8° |
| C19 | C20 | C27 | C8 | 0.2° | 0.8° |
| C19 | C20 | C21 | C26 | 169.9° | 178.9° |
| C19 | C20 | C27 | H27 | 179.8° | 179.3° |
| C20 | C21 | C22 | C26 | 178.4° | 179.7° |
| C20 | C21 | C22 | N23 | 178.4° | 180.0° |
| C20 | C21 | C26 | N25 | 178.3° | 180.0° |
| C21 | C20 | C27 | C8 | 176.2° | 180.0° |
| C21 | C20 | C19 | H19 | 3.8° | 0.3° |
| C20 | C21 | C22 | H22 | 1.7° | 0.0° |
| C20 | C21 | C26 | H26 | 1.7° | 0.0° |
| C21 | C20 | C27 | H27 | 3.7° | 0.0° |
| C21 | C22 | N23 | H22 | 180.0° | 180.0° |
| C21 | C22 | N23 | C24 | 179.1° | 180.0° |
| C21 | C22 | N23 | N25 | 0.0° | 0.1° |
| C22 | C21 | C26 | N25 | 0.0° | 0.3° |
| C22 | C21 | C20 | C27 | 164.3° | 180.0° |
| C22 | C21 | C26 | H26 | 180.0° | 179.7° |
| C22 | N23 | C24 | N25 | 179.1° | 179.8° |
| C22 | N23 | N25 | C26 | 0.0° | 0.0° |
| N23 | C22 | C21 | C26 | 0.0° | 0.2° |
| C22 | N23 | C24 | H24C | 179.1° | 90.0° |
| C22 | N23 | C24 | H24B | 59.1° | 150.0° |
| C22 | N23 | C24 | H24A | 60.9° | 29.9° |
| C24 | N23 | N25 | C26 | 179.2° | 179.8° |
| C24 | N23 | C22 | H22 | 0.9° | 0.0° |
| N23 | C24 | H24C | H24B | 120.0° | 120.0° |
| N23 | C24 | H24C | H24A | 120.0° | 120.0° |
| N23 | C24 | H24B | H24A | 120.0° | 120.0° |
| N23 | N25 | C26 | C21 | 0.0° | 0.2° |
| N25 | N23 | C22 | H22 | 179.9° | 179.8° |
| N25 | N23 | C24 | H24C | 0.0° | 89.8° |
| N25 | N23 | C24 | H24B | 120.0° | 30.2° |
| N25 | N23 | C24 | H24A | 120.0° | 150.2° |
| N23 | N25 | C26 | H26 | 180.0° | 179.8° |
| N25 | C26 | C21 | H26 | 180.0° | 180.0° |
| C20 | C27 | C8 | H27 | 180.0° | 179.9° |
| C27 | C20 | C21 | C26 | 13.7° | 0.3° |
| C27 | C20 | C19 | H19 | 179.8° | 179.5° |
| O28 | C4 | C3 | C29 | 101.3° | 173.8° |
| O28 | C4 | N5 | H5 | 176.9° | 180.0° |
| C3 | C29 | C30 | H29 | 180.0° | 180.0° |
| C3 | C29 | C30 | O31 | 179.9° | 180.0° |
| C3 | C29 | C30 | C37 | 0.0° | 0.0° |
| C29 | C3 | C2 | C38 | 0.1° | 0.3° |
| C29 | C30 | O31 | C37 | 180.0° | 180.0° |
| C29 | C30 | O31 | C32 | 2.1° | 180.0° |
| C29 | C30 | C37 | C38 | 0.0° | 0.2° |
| C29 | C30 | C37 | H37 | 180.0° | 180.0° |
| C30 | O31 | C32 | C33 | 139.9° | 180.0° |
| O31 | C30 | C37 | C38 | 179.9° | 179.7° |
| O31 | C30 | C29 | H29 | 0.1° | 0.0° |
| C30 | O31 | C32 | H32B | 20.5° | 60.0° |
| C30 | O31 | C32 | H32A | 100.7° | 60.0° |
| O31 | C30 | C37 | H37 | 0.1° | 0.0° |
| O31 | C32 | C33 | H32B | 119.4° | 120.0° |
| O31 | C32 | C33 | H32A | 119.4° | 120.0° |
| O31 | C32 | C33 | N34 | 73.4° | 65.0° |
| C32 | O31 | C30 | C37 | 177.9° | 0.0° |
| O31 | C32 | H32B | H32A | 121.8° | 120.1° |
| O31 | C32 | C33 | H33B | 47.1° | 175.0° |
| O31 | C32 | C33 | H33A | 166.1° | 55.0° |
| C32 | C33 | N34 | H33B | 120.5° | 120.0° |
| C32 | C33 | N34 | H33A | 120.5° | 120.0° |
| C32 | C33 | N34 | C35 | 69.1° | 66.1° |
| C32 | C33 | N34 | C36 | 166.7° | 170.0° |
| C33 | C32 | H32B | H32A | 121.7° | 119.9° |
| C32 | C33 | H33B | H33A | 118.5° | 120.0° |
| C33 | N34 | C35 | C36 | 124.7° | 124.0° |
| N34 | C33 | C32 | H32B | 167.2° | 175.0° |
| N34 | C33 | C32 | H32A | 46.0° | 55.0° |
| N34 | C33 | H33B | H33A | 118.4° | 120.0° |
| C33 | N34 | C35 | H35A | 180.0° | 60.0° |
| C33 | N34 | C35 | H35C | 60.0° | 180.0° |
| C33 | N34 | C35 | H35B | 60.0° | 60.0° |
| C33 | N34 | C36 | H36A | 180.0° | 60.0° |
| C33 | N34 | C36 | H36B | 60.0° | 180.0° |
| C33 | N34 | C36 | H36C | 60.0° | 60.0° |
| C35 | N34 | C33 | H33B | 170.4° | 53.9° |
| C35 | N34 | C33 | H33A | 51.4° | 173.9° |
| N34 | C35 | H35A | H35C | 120.0° | 120.1° |
| N34 | C35 | H35A | H35B | 120.0° | 120.0° |
| N34 | C35 | H35C | H35B | 120.0° | 120.0° |
| C35 | N34 | C36 | H36A | 55.6° | 176.1° |
| C35 | N34 | C36 | H36B | 175.6° | 56.0° |
| C35 | N34 | C36 | H36C | 64.4° | 64.0° |
| C36 | N34 | C33 | H33B | 46.2° | 70.0° |
| C36 | N34 | C33 | H33A | 72.8° | 50.0° |
| C36 | N34 | C35 | H35A | 55.3° | 64.0° |
| C36 | N34 | C35 | H35C | 64.8° | 56.0° |
| C36 | N34 | C35 | H35B | 175.3° | 176.0° |
| N34 | C36 | H36A | H36B | 120.0° | 120.0° |
| N34 | C36 | H36A | H36C | 120.0° | 119.9° |
| N34 | C36 | H36B | H36C | 120.0° | 120.0° |
| C30 | C37 | C38 | H37 | 180.0° | 179.7° |
| C30 | C37 | C38 | C2 | 0.0° | 0.5° |
| C37 | C30 | C29 | H29 | 180.0° | 180.0° |
| C30 | C37 | C38 | H38 | 180.0° | 180.0° |
| C37 | C38 | C2 | H38 | 180.0° | 179.5° |
| C38 | C2 | C1 | H1B | 90.8° | 97.1° |
| C38 | C2 | C1 | H1A | 29.2° | 22.9° |
| C38 | C2 | C1 | H1C | 149.2° | 142.9° |
| C2 | C38 | C37 | H37 | 180.0° | 179.8° |
| C27 | C8 | C6 | H6 | 9.0° | 20.1° |
| C27 | C8 | C9 | H9 | 179.9° | 179.7° |
| C18 | C11 | C12 | H12 | 179.9° | 179.8° |
| C26 | C21 | C22 | H22 | 179.9° | 179.7° |
| H1B | C1 | H1A | H1C | 120.0° | 120.0° |
| H6 | C6 | C7 | H7C | 63.1° | 180.0° |
| H6 | C6 | C7 | H7B | 176.9° | 60.0° |
| H6 | C6 | C7 | H7A | 56.9° | 60.0° |
| H6 | C6 | N5 | H5 | 131.9° | 145.0° |
| H24C | C24 | H24B | H24A | 120.0° | 120.0° |
| H32B | C32 | C33 | H33B | 72.3° | 55.0° |
| H32B | C32 | C33 | H33A | 46.7° | 65.0° |
| H32A | C32 | C33 | H33B | 166.5° | 65.0° |
| H32A | C32 | C33 | H33A | 74.5° | 175.0° |
| H35A | C35 | H35C | H35B | 120.0° | 120.0° |
| H36A | C36 | H36B | H36C | 120.0° | 120.1° |
| H37 | C37 | C38 | H38 | 0.0° | 0.3° |
| H7C | C7 | H7B | H7A | 120.0° | 120.1° |
