XYI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.49Å | 1.48Å | |
| C6 | C7 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | N8 | sing | 1.35Å | 1.34Å | Aromatic |
| N8 | C9 | sing | 1.47Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| N8 | N12 | sing | 1.40Å | 1.36Å | Aromatic |
| N12 | C13 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| C16 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | N18 | sing | 1.35Å | 1.34Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.46Å | |
| N18 | N20 | sing | 1.40Å | 1.35Å | Aromatic |
| N20 | C21 | doub | 1.31Å | 1.32Å | Aromatic |
| C15 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N23 | sing | 1.47Å | 1.46Å | |
| N23 | C24 | sing | 1.35Å | 1.34Å | |
| C24 | C25 | sing | 1.48Å | 1.50Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | O28 | sing | 1.36Å | 1.37Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C30 | N31 | sing | 1.47Å | 1.50Å | |
| N31 | C32 | sing | 1.47Å | 1.49Å | |
| N31 | C33 | sing | 1.47Å | 1.49Å | |
| C27 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C24 | O38 | doub | 1.21Å | 1.23Å | |
| C22 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C36 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19C | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32C | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33C | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C37 | H37C | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.3° | 109.5° |
| C1 | C2 | N23 | 109.1° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C1 | C2 | H2 | 107.8° | 109.4° |
| C2 | C3 | C4 | 121.8° | 119.9° |
| C3 | C2 | N23 | 111.2° | 109.5° |
| C2 | C3 | C22 | 119.6° | 119.9° |
| C3 | C2 | H2 | 107.9° | 109.5° |
| C3 | C4 | C5 | 121.0° | 120.1° |
| C4 | C3 | C22 | 118.6° | 120.2° |
| C3 | C4 | H4 | 119.5° | 119.9° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C4 | C5 | C14 | 119.7° | 119.9° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C5 | C6 | C7 | 127.2° | 126.2° |
| C6 | C5 | C14 | 120.2° | 120.0° |
| C5 | C6 | C13 | 128.9° | 126.2° |
| C6 | C7 | N8 | 107.3° | 107.6° |
| C7 | C6 | C13 | 103.8° | 107.5° |
| C6 | C7 | H7 | 126.3° | 126.2° |
| C7 | N8 | C9 | 127.8° | 125.9° |
| C7 | N8 | N12 | 112.4° | 108.2° |
| N8 | C7 | H7 | 126.4° | 126.2° |
| N8 | C9 | C10 | 112.3° | 109.5° |
| N8 | C9 | C11 | 110.7° | 109.5° |
| C9 | N8 | N12 | 119.8° | 125.9° |
| N8 | C9 | H9 | 107.7° | 109.5° |
| C10 | C9 | C11 | 112.1° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C9 | C10 | H10C | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C10 | C9 | H9 | 106.9° | 109.5° |
| C9 | C11 | H11A | 109.5° | 109.5° |
| C9 | C11 | H11B | 109.5° | 109.5° |
| C9 | C11 | H11C | 109.4° | 109.4° |
| C11 | C9 | H9 | 106.9° | 109.5° |
| N8 | N12 | C13 | 104.1° | 108.5° |
| N12 | C13 | C6 | 112.4° | 108.1° |
| N12 | C13 | H13 | 123.8° | 125.9° |
| C5 | C14 | C15 | 119.9° | 119.7° |
| C5 | C14 | H14 | 120.0° | 120.2° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | C22 | 119.7° | 119.9° |
| C15 | C14 | H14 | 120.0° | 120.1° |
| C15 | C16 | C17 | 127.4° | 126.2° |
| C16 | C15 | C22 | 120.1° | 120.1° |
| C15 | C16 | C21 | 129.0° | 126.2° |
| C16 | C17 | N18 | 107.7° | 107.6° |
| C17 | C16 | C21 | 103.6° | 107.5° |
| C16 | C17 | H17 | 126.2° | 126.2° |
| C17 | N18 | C19 | 127.8° | 125.9° |
| C17 | N18 | N20 | 112.0° | 108.2° |
| N18 | C17 | H17 | 126.2° | 126.1° |
| C19 | N18 | N20 | 120.2° | 125.9° |
| N18 | C19 | H19C | 109.5° | 109.5° |
| N18 | C19 | H19B | 109.5° | 109.5° |
| N18 | C19 | H19A | 109.5° | 109.5° |
| N18 | N20 | C21 | 104.6° | 108.5° |
| N20 | C21 | C16 | 112.1° | 108.1° |
| N20 | C21 | H21 | 123.9° | 125.9° |
| C15 | C22 | C3 | 121.1° | 120.1° |
| C15 | C22 | H22 | 119.5° | 120.0° |
| C2 | N23 | C24 | 122.2° | 120.0° |
| N23 | C2 | H2 | 108.5° | 109.5° |
| C2 | N23 | H23 | 118.9° | 120.0° |
| N23 | C24 | C25 | 116.5° | 120.0° |
| N23 | C24 | O38 | 122.4° | 120.1° |
| C24 | N23 | H23 | 118.9° | 120.1° |
| C24 | C25 | C26 | 119.1° | 120.1° |
| C25 | C24 | O38 | 121.1° | 120.0° |
| C24 | C25 | C36 | 120.8° | 120.1° |
| C25 | C26 | C27 | 120.3° | 119.7° |
| C26 | C25 | C36 | 120.1° | 119.8° |
| C25 | C26 | H26 | 119.9° | 120.1° |
| C26 | C27 | O28 | 118.4° | 120.0° |
| C26 | C27 | C34 | 120.1° | 120.1° |
| C27 | C26 | H26 | 119.8° | 120.1° |
| C27 | O28 | C29 | 118.1° | 117.0° |
| O28 | C27 | C34 | 121.5° | 120.0° |
| O28 | C29 | C30 | 106.2° | 109.5° |
| O28 | C29 | H29B | 110.3° | 109.5° |
| O28 | C29 | H29A | 110.3° | 109.5° |
| C29 | C30 | N31 | 113.7° | 109.4° |
| C30 | C29 | H29B | 110.3° | 109.4° |
| C30 | C29 | H29A | 110.3° | 109.5° |
| C29 | C30 | H30B | 108.4° | 109.5° |
| C29 | C30 | H30A | 108.4° | 109.5° |
| C30 | N31 | C32 | 111.8° | 111.0° |
| C30 | N31 | C33 | 111.9° | 111.0° |
| N31 | C30 | H30B | 108.4° | 109.5° |
| N31 | C30 | H30A | 108.4° | 109.5° |
| C32 | N31 | C33 | 110.6° | 111.0° |
| N31 | C32 | H32B | 109.5° | 109.4° |
| N31 | C32 | H32A | 109.5° | 109.5° |
| N31 | C32 | H32C | 109.5° | 109.5° |
| N31 | C33 | H33B | 109.5° | 109.5° |
| N31 | C33 | H33C | 109.4° | 109.5° |
| N31 | C33 | H33A | 109.5° | 109.5° |
| C27 | C34 | C35 | 119.5° | 120.2° |
| C27 | C34 | H34 | 120.3° | 119.9° |
| C34 | C35 | C36 | 122.0° | 120.2° |
| C35 | C34 | H34 | 120.2° | 119.9° |
| C34 | C35 | H35 | 119.0° | 119.9° |
| C35 | C36 | C37 | 119.6° | 120.0° |
| C35 | C36 | C25 | 117.9° | 120.0° |
| C36 | C35 | H35 | 119.0° | 120.0° |
| C37 | C36 | C25 | 122.5° | 120.0° |
| C36 | C37 | H37B | 109.5° | 109.5° |
| C36 | C37 | H37C | 109.5° | 109.5° |
| C36 | C37 | H37A | 109.5° | 109.5° |
| C3 | C22 | H22 | 119.5° | 119.9° |
| C6 | C13 | H13 | 123.8° | 125.9° |
| C16 | C21 | H21 | 123.9° | 126.0° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| H1B | C1 | H1C | 109.5° | 109.5° |
| H1A | C1 | H1C | 109.4° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11C | 109.4° | 109.4° |
| H11B | C11 | H11C | 109.5° | 109.5° |
| H10A | C10 | H10C | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H10C | C10 | H10B | 109.5° | 109.5° |
| H19C | C19 | H19B | 109.5° | 109.4° |
| H19C | C19 | H19A | 109.4° | 109.5° |
| H19B | C19 | H19A | 109.5° | 109.5° |
| H29B | C29 | H29A | 109.5° | 109.5° |
| H30B | C30 | H30A | 109.4° | 109.5° |
| H32B | C32 | H32A | 109.5° | 109.4° |
| H32B | C32 | H32C | 109.5° | 109.5° |
| H32A | C32 | H32C | 109.5° | 109.5° |
| H33B | C33 | H33C | 109.5° | 109.5° |
| H33B | C33 | H33A | 109.5° | 109.4° |
| H33C | C33 | H33A | 109.5° | 109.5° |
| H37B | C37 | H37C | 109.5° | 109.5° |
| H37B | C37 | H37A | 109.4° | 109.5° |
| H37C | C37 | H37A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N23 | 122.5° | 120.0° |
| C1 | C2 | C3 | H2 | 118.6° | 120.0° |
| C1 | C2 | C3 | C4 | 52.9° | 100.0° |
| C1 | C2 | N23 | H2 | 117.2° | 120.0° |
| C1 | C2 | N23 | C24 | 156.5° | 85.0° |
| C1 | C2 | C3 | C22 | 127.8° | 80.3° |
| 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 | N23 | H23 | 23.4° | 95.0° |
| C2 | C3 | C4 | C22 | 179.3° | 179.8° |
| C2 | C3 | C4 | C5 | 179.3° | 180.0° |
| C2 | C3 | C22 | C15 | 179.3° | 180.0° |
| C3 | C2 | N23 | H2 | 118.5° | 120.0° |
| C3 | C2 | N23 | C24 | 79.1° | 155.0° |
| C3 | C2 | C1 | H1B | 180.0° | 180.0° |
| C3 | C2 | C1 | H1A | 60.0° | 60.0° |
| C3 | C2 | C1 | H1C | 60.0° | 60.0° |
| C2 | C3 | C4 | H4 | 0.8° | 0.0° |
| C2 | C3 | C22 | H22 | 0.7° | 0.0° |
| C3 | C2 | N23 | H23 | 100.9° | 25.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 178.4° | 180.0° |
| C3 | C4 | C5 | C14 | 0.1° | 0.1° |
| C4 | C3 | C22 | C15 | 0.0° | 0.2° |
| C4 | C3 | C2 | N23 | 69.6° | 140.0° |
| C4 | C3 | C2 | H2 | 171.5° | 20.0° |
| C4 | C3 | C22 | H22 | 180.0° | 179.8° |
| C4 | C5 | C6 | C14 | 178.5° | 180.0° |
| C4 | C5 | C6 | C7 | 9.9° | 180.0° |
| C4 | C5 | C14 | C15 | 0.2° | 0.3° |
| C5 | C4 | C3 | C22 | 0.1° | 0.2° |
| C4 | C5 | C6 | C13 | 170.6° | 0.1° |
| C4 | C5 | C14 | H14 | 179.8° | 180.0° |
| C5 | C6 | C7 | C13 | 179.6° | 179.9° |
| C5 | C6 | C7 | N8 | 179.6° | 179.9° |
| C5 | C6 | C13 | N12 | 179.6° | 179.7° |
| C6 | C5 | C14 | C15 | 178.3° | 179.7° |
| C6 | C5 | C4 | H4 | 1.7° | 0.0° |
| C5 | C6 | C13 | H13 | 0.4° | 0.0° |
| C6 | C5 | C14 | H14 | 1.7° | 0.1° |
| C5 | C6 | C7 | H7 | 0.4° | 0.1° |
| C6 | C7 | N8 | H7 | 180.0° | 180.0° |
| C6 | C7 | N8 | C9 | 179.4° | 180.0° |
| C6 | C7 | N8 | N12 | 0.0° | 0.2° |
| C7 | C6 | C13 | N12 | 0.0° | 0.2° |
| C7 | C6 | C5 | C14 | 168.6° | 0.0° |
| C7 | C6 | C13 | H13 | 179.9° | 179.9° |
| C7 | N8 | C9 | N12 | 179.4° | 179.8° |
| C7 | N8 | C9 | C10 | 158.9° | 85.1° |
| C7 | N8 | C9 | C11 | 75.0° | 35.0° |
| C7 | N8 | N12 | C13 | 0.0° | 0.4° |
| N8 | C7 | C6 | C13 | 0.0° | 0.0° |
| C7 | N8 | C9 | H9 | 41.5° | 155.0° |
| N8 | C9 | C10 | C11 | 125.4° | 120.0° |
| N8 | C9 | C10 | H9 | 117.9° | 120.0° |
| N8 | C9 | C11 | H9 | 117.0° | 120.0° |
| C9 | N8 | N12 | C13 | 179.4° | 179.8° |
| N8 | C9 | C11 | H11A | 180.0° | 60.0° |
| N8 | C9 | C11 | H11B | 60.0° | 60.0° |
| N8 | C9 | C11 | H11C | 60.0° | 180.0° |
| N8 | C9 | C10 | H10A | 180.0° | 60.1° |
| N8 | C9 | C10 | H10C | 60.0° | 59.9° |
| N8 | C9 | C10 | H10B | 60.0° | 180.0° |
| C9 | N8 | C7 | H7 | 0.6° | 0.0° |
| C10 | C9 | C11 | H9 | 116.8° | 120.0° |
| C10 | C9 | N8 | N12 | 21.8° | 94.7° |
| C10 | C9 | C11 | H11A | 53.8° | 180.0° |
| C10 | C9 | C11 | H11B | 66.2° | 60.0° |
| C10 | C9 | C11 | H11C | 173.8° | 60.0° |
| C9 | C10 | H10A | H10C | 120.0° | 120.0° |
| C9 | C10 | H10A | H10B | 120.0° | 120.0° |
| C9 | C10 | H10C | H10B | 120.0° | 120.0° |
| C11 | C9 | N8 | N12 | 104.4° | 145.2° |
| C9 | C11 | H11A | H11B | 120.0° | 120.0° |
| C9 | C11 | H11A | H11C | 120.0° | 120.0° |
| C9 | C11 | H11B | H11C | 120.0° | 120.0° |
| C11 | C9 | C10 | H10A | 54.7° | 60.0° |
| C11 | C9 | C10 | H10C | 174.7° | 180.0° |
| C11 | C9 | C10 | H10B | 65.3° | 60.0° |
| N8 | N12 | C13 | C6 | 0.0° | 0.3° |
| N8 | N12 | C13 | H13 | 179.9° | 179.9° |
| N12 | N8 | C7 | H7 | 180.0° | 179.8° |
| N12 | N8 | C9 | H9 | 139.1° | 25.3° |
| N12 | C13 | C6 | H13 | 180.0° | 179.7° |
| C5 | C14 | C15 | H14 | 180.0° | 179.6° |
| C5 | C14 | C15 | C16 | 178.5° | 179.6° |
| C5 | C14 | C15 | C22 | 0.2° | 0.3° |
| C14 | C5 | C6 | C13 | 10.9° | 179.9° |
| C14 | C5 | C4 | H4 | 179.8° | 180.0° |
| C14 | C15 | C16 | C22 | 178.7° | 179.9° |
| C14 | C15 | C16 | C17 | 5.1° | 0.1° |
| C14 | C15 | C22 | C3 | 0.1° | 0.0° |
| C14 | C15 | C16 | C21 | 175.8° | 179.6° |
| C14 | C15 | C22 | H22 | 179.9° | 180.0° |
| C15 | C16 | C17 | C21 | 179.3° | 179.7° |
| C15 | C16 | C17 | N18 | 179.3° | 179.9° |
| C15 | C16 | C21 | N20 | 179.3° | 179.9° |
| C16 | C15 | C22 | C3 | 178.6° | 179.9° |
| C16 | C15 | C14 | H14 | 1.5° | 0.0° |
| C15 | C16 | C21 | H21 | 0.7° | 0.2° |
| C15 | C16 | C17 | H17 | 0.7° | 0.1° |
| C16 | C15 | C22 | H22 | 1.4° | 0.1° |
| C16 | C17 | N18 | H17 | 180.0° | 180.0° |
| C16 | C17 | N18 | C19 | 179.6° | 180.0° |
| C16 | C17 | N18 | N20 | 0.0° | 0.2° |
| C17 | C16 | C21 | N20 | 0.0° | 0.3° |
| C17 | C16 | C15 | C22 | 173.6° | 180.0° |
| C17 | C16 | C21 | H21 | 180.0° | 179.8° |
| C17 | N18 | C19 | N20 | 179.5° | 179.9° |
| C17 | N18 | N20 | C21 | 0.0° | 0.0° |
| N18 | C17 | C16 | C21 | 0.0° | 0.3° |
| C17 | N18 | C19 | H19C | 179.5° | 90.0° |
| C17 | N18 | C19 | H19B | 59.5° | 150.0° |
| C17 | N18 | C19 | H19A | 60.5° | 30.0° |
| C19 | N18 | N20 | C21 | 179.6° | 179.9° |
| C19 | N18 | C17 | H17 | 0.4° | 0.1° |
| N18 | C19 | H19C | H19B | 120.0° | 120.0° |
| N18 | C19 | H19C | H19A | 120.0° | 120.0° |
| N18 | C19 | H19B | H19A | 120.0° | 120.0° |
| N18 | N20 | C21 | C16 | 0.0° | 0.2° |
| N18 | N20 | C21 | H21 | 180.0° | 179.9° |
| N20 | N18 | C17 | H17 | 179.9° | 179.8° |
| N20 | N18 | C19 | H19C | 0.0° | 90.1° |
| N20 | N18 | C19 | H19B | 120.0° | 29.8° |
| N20 | N18 | C19 | H19A | 120.0° | 149.9° |
| N20 | C21 | C16 | H21 | 180.0° | 179.9° |
| C15 | C22 | C3 | H22 | 180.0° | 180.0° |
| C22 | C15 | C16 | C21 | 5.5° | 0.4° |
| C22 | C15 | C14 | H14 | 179.8° | 180.0° |
| C2 | N23 | C24 | H23 | 180.0° | 180.0° |
| C2 | N23 | C24 | C25 | 179.4° | 180.0° |
| C2 | N23 | C24 | O38 | 0.5° | 0.0° |
| N23 | C2 | C3 | C22 | 109.7° | 39.7° |
| N23 | C2 | C1 | H1B | 56.3° | 60.0° |
| N23 | C2 | C1 | H1A | 176.3° | 180.0° |
| N23 | C2 | C1 | H1C | 63.7° | 60.0° |
| N23 | C24 | C25 | O38 | 179.9° | 179.9° |
| N23 | C24 | C25 | C26 | 71.1° | 4.0° |
| N23 | C24 | C25 | C36 | 109.0° | 175.7° |
| C24 | N23 | C2 | H2 | 39.4° | 35.0° |
| C24 | C25 | C26 | C36 | 179.9° | 179.7° |
| C24 | C25 | C26 | C27 | 180.0° | 180.0° |
| C24 | C25 | C36 | C35 | 179.9° | 179.7° |
| C24 | C25 | C36 | C37 | 0.6° | 0.2° |
| C24 | C25 | C26 | H26 | 0.0° | 0.1° |
| C25 | C24 | N23 | H23 | 0.6° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | O28 | 179.6° | 180.0° |
| C25 | C26 | C27 | C34 | 0.1° | 0.1° |
| C26 | C25 | C36 | C35 | 0.0° | 0.6° |
| C26 | C25 | C36 | C37 | 179.5° | 179.9° |
| C26 | C25 | C24 | O38 | 108.7° | 176.1° |
| C26 | C27 | O28 | C34 | 179.7° | 180.0° |
| C26 | C27 | O28 | C29 | 179.1° | 180.0° |
| C26 | C27 | C34 | C35 | 0.0° | 0.1° |
| C27 | C26 | C25 | C36 | 0.1° | 0.3° |
| C26 | C27 | C34 | H34 | 180.0° | 180.0° |
| C27 | O28 | C29 | C30 | 147.9° | 179.9° |
| O28 | C27 | C34 | C35 | 179.7° | 180.0° |
| O28 | C27 | C26 | H26 | 0.4° | 0.1° |
| C27 | O28 | C29 | H29B | 28.5° | 60.0° |
| C27 | O28 | C29 | H29A | 92.6° | 60.1° |
| O28 | C27 | C34 | H34 | 0.3° | 0.0° |
| O28 | C29 | C30 | H29B | 119.5° | 120.0° |
| O28 | C29 | C30 | H29A | 119.5° | 120.0° |
| O28 | C29 | C30 | N31 | 102.5° | 65.4° |
| C29 | O28 | C27 | C34 | 0.6° | 0.0° |
| O28 | C29 | H29B | H29A | 121.5° | 120.0° |
| O28 | C29 | C30 | H30B | 18.2° | 174.7° |
| O28 | C29 | C30 | H30A | 136.9° | 54.6° |
| C29 | C30 | N31 | H30B | 120.6° | 120.0° |
| C29 | C30 | N31 | H30A | 120.6° | 120.0° |
| C29 | C30 | N31 | C32 | 75.0° | 75.6° |
| C29 | C30 | N31 | C33 | 49.8° | 160.4° |
| C30 | C29 | H29B | H29A | 121.5° | 120.0° |
| C29 | C30 | H30B | H30A | 118.0° | 120.0° |
| C30 | N31 | C32 | C33 | 125.4° | 124.0° |
| N31 | C30 | C29 | H29B | 138.0° | 174.6° |
| N31 | C30 | C29 | H29A | 17.0° | 54.6° |
| N31 | C30 | H30B | H30A | 118.1° | 120.0° |
| C30 | N31 | C32 | H32B | 180.0° | 60.0° |
| C30 | N31 | C32 | H32A | 60.0° | 180.0° |
| C30 | N31 | C32 | H32C | 60.0° | 60.0° |
| C30 | N31 | C33 | H33B | 180.0° | 55.0° |
| C30 | N31 | C33 | H33C | 60.0° | 175.0° |
| C30 | N31 | C33 | H33A | 60.0° | 64.9° |
| C32 | N31 | C30 | H30B | 45.7° | 44.4° |
| C32 | N31 | C30 | H30A | 164.4° | 164.4° |
| N31 | C32 | H32B | H32A | 120.0° | 119.9° |
| N31 | C32 | H32B | H32C | 120.0° | 120.1° |
| N31 | C32 | H32A | H32C | 120.0° | 120.1° |
| C32 | N31 | C33 | H33B | 54.6° | 179.0° |
| C32 | N31 | C33 | H33C | 174.6° | 61.0° |
| C32 | N31 | C33 | H33A | 65.4° | 59.0° |
| C33 | N31 | C30 | H30B | 170.4° | 79.6° |
| C33 | N31 | C30 | H30A | 70.9° | 40.4° |
| C33 | N31 | C32 | H32B | 54.6° | 63.9° |
| C33 | N31 | C32 | H32A | 65.4° | 56.0° |
| C33 | N31 | C32 | H32C | 174.6° | 176.0° |
| N31 | C33 | H33B | H33C | 120.0° | 120.0° |
| N31 | C33 | H33B | H33A | 120.0° | 120.0° |
| N31 | C33 | H33C | H33A | 120.0° | 120.0° |
| C27 | C34 | C35 | H34 | 180.0° | 180.0° |
| C27 | C34 | C35 | C36 | 0.1° | 0.3° |
| C34 | C27 | C26 | H26 | 179.9° | 180.0° |
| C27 | C34 | C35 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.7° |
| C34 | C35 | C36 | C37 | 179.5° | 179.9° |
| C34 | C35 | C36 | C25 | 0.1° | 0.6° |
| C35 | C36 | C37 | C25 | 179.5° | 179.4° |
| C36 | C35 | C34 | H34 | 179.9° | 179.7° |
| C35 | C36 | C37 | H37B | 90.2° | 97.0° |
| C35 | C36 | C37 | H37C | 149.8° | 143.0° |
| C35 | C36 | C37 | H37A | 29.8° | 23.1° |
| C37 | C36 | C35 | H35 | 0.5° | 0.3° |
| C36 | C37 | H37B | H37C | 120.0° | 120.0° |
| C36 | C37 | H37B | H37A | 120.0° | 120.0° |
| C36 | C37 | H37C | H37A | 120.0° | 120.0° |
| O38 | C24 | C25 | C36 | 71.2° | 4.2° |
| O38 | C24 | N23 | H23 | 179.5° | 180.0° |
| C22 | C3 | C2 | H2 | 9.2° | 159.8° |
| C22 | C3 | C4 | H4 | 179.9° | 179.7° |
| C13 | C6 | C7 | H7 | 180.0° | 180.0° |
| C21 | C16 | C17 | H17 | 179.9° | 179.7° |
| C36 | C25 | C26 | H26 | 179.9° | 179.8° |
| C25 | C36 | C35 | H35 | 179.9° | 179.7° |
| C25 | C36 | C37 | H37B | 90.3° | 83.6° |
| C25 | C36 | C37 | H37C | 29.7° | 36.4° |
| C25 | C36 | C37 | H37A | 149.7° | 156.4° |
| H1B | C1 | H1A | H1C | 120.0° | 120.0° |
| H1B | C1 | C2 | H2 | 61.3° | 60.0° |
| H1A | C1 | C2 | H2 | 58.7° | 60.0° |
| H1C | C1 | C2 | H2 | 178.7° | 180.0° |
| H2 | C2 | N23 | H23 | 140.6° | 145.0° |
| H11A | C11 | H11B | H11C | 120.0° | 120.0° |
| H11A | C11 | C9 | H9 | 63.0° | 60.0° |
| H11B | C11 | C9 | H9 | 177.0° | NaN° |
| H11C | C11 | C9 | H9 | 57.0° | 60.0° |
| H10A | C10 | H10C | H10B | 120.0° | 120.0° |
| H10A | C10 | C9 | H9 | 62.1° | 180.0° |
| H10C | C10 | C9 | H9 | 57.9° | 60.0° |
| H10B | C10 | C9 | H9 | 177.9° | 60.0° |
| H19C | C19 | H19B | H19A | 120.0° | 120.0° |
| H29B | C29 | C30 | H30B | 101.3° | 54.6° |
| H29B | C29 | C30 | H30A | 17.4° | 65.4° |
| H29A | C29 | C30 | H30B | 137.7° | 65.3° |
| H29A | C29 | C30 | H30A | 103.6° | 174.6° |
| H32B | C32 | H32A | H32C | 120.0° | 120.0° |
| H33B | C33 | H33C | H33A | 120.0° | 120.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.0° |
| H37B | C37 | H37C | H37A | 120.0° | 120.0° |
