A1BEF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | N11 | sing | 1.47Å | 1.47Å | |
| N11 | C12 | sing | 1.35Å | 1.34Å | |
| C12 | C13 | sing | 1.48Å | 1.50Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N19 | sing | 1.40Å | 1.38Å | |
| N19 | C20 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | N22 | sing | 1.47Å | 1.50Å | |
| N22 | C23 | sing | 1.47Å | 1.49Å | |
| N22 | C24 | sing | 1.47Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C18 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | O28 | doub | 1.22Å | 1.23Å | |
| C8 | C29 | doub | 1.41Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C30 | C31 | doub | 1.36Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.36Å | 1.37Å | Aromatic |
| C33 | C34 | sing | 1.41Å | 1.42Å | Aromatic |
| C34 | N35 | doub | 1.34Å | 1.37Å | Aromatic |
| C5 | C36 | doub | 1.37Å | 1.38Å | Aromatic |
| C36 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| N35 | C6 | sing | 1.32Å | 1.32Å | Aromatic |
| C27 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | N19 | sing | 1.47Å | 1.46Å | |
| C34 | C29 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15C | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C23 | H23C | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25C | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | N3 | 120.4° | 125.9° |
| C1 | N2 | C36 | 127.8° | 125.8° |
| N2 | C1 | H1C | 109.5° | 109.4° |
| N2 | C1 | H1A | 109.5° | 109.5° |
| N2 | C1 | H1B | 109.5° | 109.5° |
| N2 | N3 | C4 | 104.8° | 108.6° |
| N3 | N2 | C36 | 111.8° | 108.3° |
| N3 | C4 | C5 | 112.0° | 108.0° |
| N3 | C4 | H4 | 124.0° | 125.9° |
| C4 | C5 | C6 | 128.2° | 126.2° |
| C4 | C5 | C36 | 103.7° | 107.5° |
| C5 | C4 | H4 | 124.0° | 126.1° |
| C5 | C6 | C7 | 120.7° | 119.3° |
| C6 | C5 | C36 | 128.1° | 126.3° |
| C5 | C6 | N35 | 115.3° | 119.2° |
| C6 | C7 | C8 | 119.8° | 119.9° |
| C7 | C6 | N35 | 124.0° | 121.5° |
| C6 | C7 | H7 | 120.1° | 120.1° |
| C7 | C8 | C9 | 121.1° | 120.9° |
| C7 | C8 | C29 | 118.6° | 118.3° |
| C8 | C7 | H7 | 120.1° | 120.0° |
| C8 | C9 | C10 | 113.4° | 109.5° |
| C8 | C9 | N11 | 110.7° | 109.4° |
| C9 | C8 | C29 | 120.3° | 120.8° |
| C8 | C9 | H9 | 107.6° | 109.5° |
| C10 | C9 | N11 | 109.3° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.4° |
| C9 | C10 | H10C | 109.5° | 109.5° |
| C10 | C9 | H9 | 107.5° | 109.5° |
| C9 | N11 | C12 | 121.6° | 120.0° |
| N11 | C9 | H9 | 108.2° | 109.5° |
| C9 | N11 | H11 | 119.2° | 120.0° |
| N11 | C12 | C13 | 117.0° | 120.0° |
| N11 | C12 | O28 | 122.0° | 120.0° |
| C12 | N11 | H11 | 119.2° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.1° |
| C13 | C12 | O28 | 121.0° | 120.0° |
| C12 | C13 | C27 | 119.5° | 120.1° |
| C13 | C14 | C15 | 122.6° | 120.0° |
| C13 | C14 | C16 | 117.8° | 119.9° |
| C14 | C13 | C27 | 120.0° | 119.8° |
| C15 | C14 | C16 | 119.5° | 120.0° |
| C14 | C15 | H15B | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.4° | 109.5° |
| C14 | C15 | H15C | 109.5° | 109.5° |
| C14 | C16 | C17 | 122.1° | 120.2° |
| C14 | C16 | H16 | 119.0° | 119.8° |
| C16 | C17 | C18 | 120.5° | 120.2° |
| C17 | C16 | H16 | 118.9° | 119.9° |
| C16 | C17 | H17 | 119.8° | 119.8° |
| C17 | C18 | N19 | 120.5° | 120.0° |
| C17 | C18 | C27 | 118.4° | 120.0° |
| C18 | C17 | H17 | 119.8° | 119.9° |
| C18 | N19 | C20 | 117.6° | 111.0° |
| N19 | C18 | C27 | 121.1° | 120.0° |
| C18 | N19 | C26 | 115.0° | 111.0° |
| N19 | C20 | C21 | 110.6° | 109.3° |
| C20 | N19 | C26 | 113.1° | 110.9° |
| N19 | C20 | H20A | 109.2° | 109.5° |
| N19 | C20 | H20B | 109.2° | 109.6° |
| C20 | C21 | N22 | 110.3° | 109.4° |
| C21 | C20 | H20A | 109.2° | 109.4° |
| C21 | C20 | H20B | 109.2° | 109.5° |
| C20 | C21 | H21A | 109.3° | 109.5° |
| C20 | C21 | H21B | 109.3° | 109.5° |
| C21 | N22 | C23 | 111.1° | 111.0° |
| C21 | N22 | C24 | 112.5° | 110.9° |
| N22 | C21 | H21A | 109.2° | 109.5° |
| N22 | C21 | H21B | 109.3° | 109.5° |
| C23 | N22 | C24 | 112.9° | 111.0° |
| N22 | C23 | H23C | 109.5° | 109.4° |
| N22 | C23 | H23B | 109.5° | 109.5° |
| N22 | C23 | H23A | 109.5° | 109.4° |
| N22 | C24 | C25 | 111.6° | 109.5° |
| N22 | C24 | C26 | 108.9° | 109.4° |
| N22 | C24 | H24 | 107.9° | 109.5° |
| C25 | C24 | C26 | 112.1° | 109.5° |
| C25 | C24 | H24 | 108.1° | 109.5° |
| C24 | C25 | H25B | 109.5° | 109.5° |
| C24 | C25 | H25A | 109.5° | 109.5° |
| C24 | C25 | H25C | 109.5° | 109.4° |
| C24 | C26 | N19 | 110.8° | 109.3° |
| C26 | C24 | H24 | 108.0° | 109.5° |
| C24 | C26 | H26B | 109.1° | 109.5° |
| C24 | C26 | H26A | 109.1° | 109.5° |
| C18 | C27 | C13 | 121.3° | 119.8° |
| C18 | C27 | H27 | 119.4° | 120.1° |
| C8 | C29 | C30 | 124.1° | 121.3° |
| C8 | C29 | C34 | 117.4° | 119.2° |
| C29 | C30 | C31 | 120.9° | 119.7° |
| C30 | C29 | C34 | 118.5° | 119.6° |
| C29 | C30 | H30 | 119.5° | 120.2° |
| C30 | C31 | C32 | 120.6° | 120.8° |
| C31 | C30 | H30 | 119.6° | 120.2° |
| C30 | C31 | H31 | 119.7° | 119.6° |
| C31 | C32 | C33 | 120.7° | 121.1° |
| C32 | C31 | H31 | 119.7° | 119.6° |
| C31 | C32 | H32 | 119.7° | 119.5° |
| C32 | C33 | C34 | 120.5° | 119.7° |
| C33 | C32 | H32 | 119.7° | 119.4° |
| C32 | C33 | H33 | 119.8° | 120.2° |
| C33 | C34 | N35 | 118.5° | 121.0° |
| C33 | C34 | C29 | 118.9° | 119.1° |
| C34 | C33 | H33 | 119.8° | 120.1° |
| C34 | N35 | C6 | 117.6° | 121.3° |
| N35 | C34 | C29 | 122.6° | 119.9° |
| C5 | C36 | N2 | 107.7° | 107.6° |
| C5 | C36 | H36 | 126.2° | 126.2° |
| N2 | C36 | H36 | 126.1° | 126.2° |
| C13 | C27 | H27 | 119.4° | 120.1° |
| N19 | C26 | H26B | 109.1° | 109.5° |
| N19 | C26 | H26A | 109.2° | 109.5° |
| H10B | C10 | H10A | 109.5° | 109.5° |
| H10B | C10 | H10C | 109.4° | 109.5° |
| H10A | C10 | H10C | 109.5° | 109.5° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H1C | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| H15B | C15 | H15A | 109.5° | 109.4° |
| H15B | C15 | H15C | 109.4° | 109.5° |
| H15A | C15 | H15C | 109.5° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H23C | C23 | H23B | 109.5° | 109.5° |
| H23C | C23 | H23A | 109.5° | 109.5° |
| H23B | C23 | H23A | 109.5° | 109.5° |
| H25B | C25 | H25A | 109.5° | 109.4° |
| H25B | C25 | H25C | 109.5° | 109.5° |
| H25A | C25 | H25C | 109.5° | 109.5° |
| H26B | C26 | H26A | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | N3 | C36 | 179.5° | 179.8° |
| C1 | N2 | N3 | C4 | 179.5° | 179.8° |
| C1 | N2 | C36 | C5 | 179.5° | 180.0° |
| N2 | C1 | H1C | H1A | 120.0° | 120.0° |
| N2 | C1 | H1C | H1B | 120.0° | 120.0° |
| N2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | N2 | C36 | H36 | 0.5° | 0.0° |
| N2 | N3 | C4 | C5 | 0.0° | 0.1° |
| N3 | N2 | C36 | C5 | 0.0° | 0.2° |
| N3 | N2 | C1 | H1C | 0.0° | 90.2° |
| N3 | N2 | C1 | H1A | 120.0° | 29.8° |
| N3 | N2 | C1 | H1B | 120.0° | 149.8° |
| N2 | N3 | C4 | H4 | 180.0° | 179.9° |
| N3 | N2 | C36 | H36 | 180.0° | 179.8° |
| N3 | C4 | C5 | H4 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 179.3° | 180.0° |
| N3 | C4 | C5 | C36 | 0.0° | 0.2° |
| C4 | N3 | N2 | C36 | 0.0° | 0.1° |
| C4 | C5 | C6 | C36 | 179.0° | 179.7° |
| C4 | C5 | C6 | C7 | 165.0° | 0.3° |
| C4 | C5 | C36 | N2 | 0.0° | 0.2° |
| C4 | C5 | C6 | N35 | 15.9° | 179.7° |
| C4 | C5 | C36 | H36 | 179.9° | 179.8° |
| C5 | C6 | C7 | N35 | 179.0° | 179.9° |
| C5 | C6 | C7 | C8 | 178.7° | 180.0° |
| C5 | C6 | N35 | C34 | 178.8° | 179.7° |
| C6 | C5 | C36 | N2 | 179.2° | 180.0° |
| C5 | C6 | C7 | H7 | 1.4° | 0.1° |
| C6 | C5 | C4 | H4 | 0.8° | 0.0° |
| C6 | C5 | C36 | H36 | 0.7° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 179.5° | 180.0° |
| C6 | C7 | C8 | C29 | 0.3° | 0.4° |
| C7 | C6 | N35 | C34 | 0.3° | 0.3° |
| C7 | C6 | C5 | C36 | 15.9° | 180.0° |
| C7 | C8 | C9 | C29 | 179.8° | 179.6° |
| C7 | C8 | C9 | C10 | 56.7° | 94.6° |
| C7 | C8 | C9 | N11 | 66.5° | 25.4° |
| C7 | C8 | C29 | C30 | 179.6° | 179.7° |
| C8 | C7 | C6 | N35 | 0.3° | 0.1° |
| C7 | C8 | C29 | C34 | 0.1° | 0.3° |
| C7 | C8 | C9 | H9 | 175.4° | 145.3° |
| C8 | C9 | C10 | N11 | 123.9° | 120.0° |
| C8 | C9 | C10 | H9 | 118.8° | 120.0° |
| C8 | C9 | N11 | H9 | 117.7° | 120.0° |
| C8 | C9 | N11 | C12 | 90.9° | 155.0° |
| C9 | C8 | C29 | C30 | 0.6° | 0.1° |
| C9 | C8 | C29 | C34 | 179.6° | 179.9° |
| C8 | C9 | C10 | H10B | 180.0° | 180.0° |
| C8 | C9 | C10 | H10A | 60.0° | 60.0° |
| C8 | C9 | C10 | H10C | 60.0° | 60.0° |
| C9 | C8 | C7 | H7 | 0.5° | 0.1° |
| C8 | C9 | N11 | H11 | 89.1° | 25.1° |
| C10 | C9 | N11 | H9 | 116.8° | 120.0° |
| C10 | C9 | N11 | C12 | 143.6° | 85.0° |
| C10 | C9 | C8 | C29 | 123.6° | 85.0° |
| C9 | C10 | H10B | H10A | 120.0° | 120.0° |
| C9 | C10 | H10B | H10C | 120.0° | 120.0° |
| C9 | C10 | H10A | H10C | 120.0° | 120.0° |
| C10 | C9 | N11 | H11 | 36.4° | 94.9° |
| C9 | N11 | C12 | H11 | 180.0° | 179.9° |
| C9 | N11 | C12 | C13 | 179.0° | 180.0° |
| C9 | N11 | C12 | O28 | 0.5° | 0.0° |
| N11 | C9 | C8 | C29 | 113.3° | 155.0° |
| N11 | C9 | C10 | H10B | 56.0° | 60.0° |
| N11 | C9 | C10 | H10A | 176.1° | 180.0° |
| N11 | C9 | C10 | H10C | 63.9° | 60.0° |
| N11 | C12 | C13 | O28 | 179.6° | 180.0° |
| N11 | C12 | C13 | C14 | 117.1° | 174.0° |
| N11 | C12 | C13 | C27 | 61.8° | 6.3° |
| C12 | N11 | C9 | H9 | 26.8° | 35.0° |
| C12 | C13 | C14 | C27 | 178.9° | 179.7° |
| C12 | C13 | C14 | C15 | 2.1° | 0.0° |
| C12 | C13 | C14 | C16 | 179.1° | 180.0° |
| C12 | C13 | C27 | C18 | 178.8° | 179.7° |
| C12 | C13 | C27 | H27 | 1.2° | 0.3° |
| C13 | C12 | N11 | H11 | 1.0° | 0.0° |
| C13 | C14 | C15 | C16 | 177.0° | 180.0° |
| C13 | C14 | C16 | C17 | 0.3° | 0.1° |
| C14 | C13 | C27 | C18 | 0.1° | 0.6° |
| C14 | C13 | C12 | O28 | 62.4° | 6.0° |
| C13 | C14 | C15 | H15B | 88.4° | 83.4° |
| C13 | C14 | C15 | H15A | 151.6° | 156.6° |
| C13 | C14 | C15 | H15C | 31.6° | 36.7° |
| C13 | C14 | C16 | H16 | 179.8° | 180.0° |
| C14 | C13 | C27 | H27 | 179.9° | 180.0° |
| C15 | C14 | C16 | C17 | 176.9° | 180.0° |
| C15 | C14 | C13 | C27 | 176.9° | 179.7° |
| C14 | C15 | H15B | H15A | 120.0° | 120.0° |
| C14 | C15 | H15B | H15C | 120.0° | 120.1° |
| C14 | C15 | H15A | H15C | 120.0° | 120.0° |
| C15 | C14 | C16 | H16 | 3.1° | 0.1° |
| C14 | C16 | C17 | H16 | 180.0° | 179.9° |
| C14 | C16 | C17 | C18 | 0.0° | 0.1° |
| C16 | C14 | C13 | C27 | 0.2° | 0.2° |
| C16 | C14 | C15 | H15B | 88.6° | 96.6° |
| C16 | C14 | C15 | H15A | 31.4° | 23.4° |
| C16 | C14 | C15 | H15C | 151.4° | 143.4° |
| C14 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | N19 | 177.3° | 180.0° |
| C16 | C17 | C18 | C27 | 0.3° | 0.3° |
| C17 | C18 | N19 | C27 | 177.6° | 179.7° |
| C17 | C18 | N19 | C20 | 179.6° | 123.8° |
| C17 | C18 | C27 | C13 | 0.4° | 0.6° |
| C17 | C18 | N19 | C26 | 43.3° | 0.0° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C17 | C18 | C27 | H27 | 179.6° | 180.0° |
| C18 | N19 | C20 | C26 | 137.9° | 123.9° |
| C18 | N19 | C20 | C21 | 172.6° | 176.8° |
| C18 | N19 | C26 | C24 | 152.5° | 176.8° |
| N19 | C18 | C27 | C13 | 177.2° | 179.7° |
| N19 | C18 | C17 | H17 | 2.7° | 0.1° |
| C18 | N19 | C20 | H20A | 67.2° | 63.3° |
| C18 | N19 | C20 | H20B | 52.4° | 56.9° |
| C18 | N19 | C26 | H26B | 32.3° | 56.9° |
| C18 | N19 | C26 | H26A | 87.3° | 63.2° |
| N19 | C18 | C27 | H27 | 2.8° | 0.3° |
| N19 | C20 | C21 | H20A | 120.2° | 119.9° |
| N19 | C20 | C21 | H20B | 120.1° | 120.0° |
| N19 | C20 | C21 | N22 | 28.4° | 58.4° |
| C20 | N19 | C26 | C24 | 68.5° | 59.3° |
| C20 | N19 | C18 | C27 | 2.0° | 56.5° |
| N19 | C20 | H20A | H20B | 119.5° | 120.2° |
| N19 | C20 | C21 | H21A | 148.5° | 61.6° |
| N19 | C20 | C21 | H21B | 91.8° | 178.4° |
| C20 | N19 | C26 | H26B | 171.3° | 179.3° |
| C20 | N19 | C26 | H26A | 51.7° | 60.6° |
| C20 | C21 | N22 | H21A | 120.1° | 120.0° |
| C20 | C21 | N22 | H21B | 120.1° | 120.0° |
| C20 | C21 | N22 | C23 | 168.8° | 64.6° |
| C20 | C21 | N22 | C24 | 63.6° | 59.3° |
| C21 | C20 | N19 | C26 | 34.7° | 59.3° |
| C21 | C20 | H20A | H20B | 119.5° | 120.0° |
| C20 | C21 | H21A | H21B | 119.6° | 120.0° |
| C21 | N22 | C23 | C24 | 127.4° | 123.8° |
| C21 | N22 | C24 | C25 | 155.3° | 60.6° |
| C21 | N22 | C24 | C26 | 30.9° | 59.4° |
| N22 | C21 | C20 | H20A | 91.8° | 61.6° |
| N22 | C21 | C20 | H20B | 148.5° | 178.4° |
| N22 | C21 | H21A | H21B | 119.6° | 120.1° |
| C21 | N22 | C23 | H23C | 180.0° | 64.0° |
| C21 | N22 | C23 | H23B | 60.0° | 176.0° |
| C21 | N22 | C23 | H23A | 60.0° | 56.0° |
| C21 | N22 | C24 | H24 | 86.1° | 179.3° |
| C23 | N22 | C24 | C25 | 78.0° | 175.4° |
| C23 | N22 | C24 | C26 | 157.6° | 64.6° |
| C23 | N22 | C21 | H21A | 48.7° | 175.4° |
| C23 | N22 | C21 | H21B | 71.0° | 55.4° |
| N22 | C23 | H23C | H23B | 120.0° | 120.0° |
| N22 | C23 | H23C | H23A | 120.0° | 119.9° |
| N22 | C23 | H23B | H23A | 120.0° | 120.0° |
| C23 | N22 | C24 | H24 | 40.5° | 55.4° |
| N22 | C24 | C25 | C26 | 122.6° | 119.9° |
| N22 | C24 | C25 | H24 | 118.5° | 120.0° |
| N22 | C24 | C26 | H24 | 116.9° | 120.0° |
| N22 | C24 | C26 | N19 | 31.3° | 58.4° |
| C24 | N22 | C21 | H21A | 176.3° | 60.6° |
| C24 | N22 | C21 | H21B | 56.6° | 179.3° |
| C24 | N22 | C23 | H23C | 52.6° | 59.8° |
| C24 | N22 | C23 | H23B | 172.6° | 60.1° |
| C24 | N22 | C23 | H23A | 67.4° | 179.8° |
| N22 | C24 | C25 | H25B | 180.0° | 59.9° |
| N22 | C24 | C25 | H25A | 60.0° | 60.1° |
| N22 | C24 | C25 | H25C | 60.0° | 179.9° |
| N22 | C24 | C26 | H26B | 151.5° | 178.4° |
| N22 | C24 | C26 | H26A | 89.0° | 61.5° |
| C25 | C24 | C26 | H24 | 119.0° | 120.0° |
| C25 | C24 | C26 | N19 | 92.8° | 61.6° |
| C24 | C25 | H25B | H25A | 120.0° | 120.0° |
| C24 | C25 | H25B | H25C | 120.0° | 120.0° |
| C24 | C25 | H25A | H25C | 120.0° | 120.0° |
| C25 | C24 | C26 | H26B | 27.4° | 58.4° |
| C25 | C24 | C26 | H26A | 147.0° | 178.5° |
| C24 | C26 | N19 | H26B | 120.2° | 120.0° |
| C24 | C26 | N19 | H26A | 120.2° | 119.9° |
| C26 | C24 | C25 | H25B | 57.5° | 60.0° |
| C26 | C24 | C25 | H25A | 62.5° | 180.0° |
| C26 | C24 | C25 | H25C | 177.5° | 59.9° |
| C24 | C26 | H26B | H26A | 119.4° | 120.1° |
| C18 | C27 | C13 | H27 | 180.0° | 179.4° |
| C27 | C18 | N19 | C26 | 139.1° | 179.7° |
| C27 | C18 | C17 | H17 | 179.7° | 179.6° |
| O28 | C12 | C13 | C27 | 118.6° | 173.7° |
| O28 | C12 | N11 | H11 | 179.5° | 179.9° |
| C8 | C29 | C30 | C34 | 179.7° | 179.9° |
| C8 | C29 | C30 | C31 | 179.7° | 180.0° |
| C8 | C29 | C34 | C33 | 179.7° | 180.0° |
| C8 | C29 | C34 | N35 | 0.1° | 0.0° |
| C29 | C8 | C9 | H9 | 4.8° | 35.1° |
| C29 | C8 | C7 | H7 | 179.7° | 179.8° |
| C8 | C29 | C30 | H30 | 0.3° | 0.1° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.0° | 0.1° |
| C30 | C29 | C34 | C33 | 0.0° | 0.0° |
| C30 | C29 | C34 | N35 | 179.7° | 179.9° |
| C29 | C30 | C31 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C31 | C30 | C29 | C34 | 0.1° | 0.0° |
| C30 | C31 | C32 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C30 | H30 | 180.0° | 180.0° |
| C31 | C32 | C33 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | N35 | 179.6° | 179.9° |
| C32 | C33 | C34 | C29 | 0.0° | 0.0° |
| C33 | C32 | C31 | H31 | 180.0° | 180.0° |
| C33 | C34 | N35 | C29 | 179.7° | 180.0° |
| C33 | C34 | N35 | C6 | 179.8° | 179.7° |
| C34 | C33 | C32 | H32 | 179.9° | 180.0° |
| N35 | C34 | C33 | H33 | 0.3° | 0.0° |
| C5 | C36 | N2 | H36 | 180.0° | 180.0° |
| C36 | C5 | C6 | N35 | 163.2° | 0.0° |
| C36 | C5 | C4 | H4 | 180.0° | 179.8° |
| C36 | N2 | C1 | H1C | 179.4° | 90.0° |
| C36 | N2 | C1 | H1A | 59.4° | 150.0° |
| C36 | N2 | C1 | H1B | 60.6° | 30.0° |
| C6 | N35 | C34 | C29 | 0.1° | 0.3° |
| N35 | C6 | C7 | H7 | 179.6° | 180.0° |
| C26 | N19 | C20 | H20A | 154.9° | 60.6° |
| C26 | N19 | C20 | H20B | 85.4° | 179.3° |
| N19 | C26 | C24 | H24 | 148.2° | 178.4° |
| N19 | C26 | H26B | H26A | 119.4° | 120.1° |
| C34 | C29 | C30 | H30 | 179.9° | 180.0° |
| C29 | C34 | C33 | H33 | 180.0° | 180.0° |
| H10B | C10 | H10A | H10C | 120.0° | 120.0° |
| H10B | C10 | C9 | H9 | 61.2° | 60.0° |
| H10A | C10 | C9 | H9 | 58.8° | 60.0° |
| H10C | C10 | C9 | H9 | 178.8° | 180.0° |
| H9 | C9 | N11 | H11 | 153.2° | 145.1° |
| H1C | C1 | H1A | H1B | 119.9° | 120.0° |
| H15B | C15 | H15A | H15C | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.1° |
| H20A | C20 | C21 | H21A | 28.3° | 178.5° |
| H20A | C20 | C21 | H21B | 148.1° | 58.4° |
| H20B | C20 | C21 | H21A | 91.4° | 58.4° |
| H20B | C20 | C21 | H21B | 28.4° | 61.6° |
| H23C | C23 | H23B | H23A | 120.0° | 120.0° |
| H24 | C24 | C25 | H25B | 61.5° | 179.9° |
| H24 | C24 | C25 | H25A | 178.5° | 60.0° |
| H24 | C24 | C25 | H25C | 58.5° | 60.1° |
| H24 | C24 | C26 | H26B | 91.6° | 61.7° |
| H24 | C24 | C26 | H26A | 28.0° | 58.5° |
| H25B | C25 | H25A | H25C | 120.0° | 120.0° |
| H30 | C30 | C31 | H31 | 0.0° | 0.1° |
| H31 | C31 | C32 | H32 | 0.0° | 0.1° |
| H32 | C32 | C33 | H33 | 0.0° | 0.1° |
