A1BEE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C4 | sing | 1.35Å | 1.34Å | |
| C4 | C5 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.37Å | |
| O11 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C13 | N14 | sing | 1.47Å | 1.49Å | |
| N14 | C15 | sing | 1.47Å | 1.49Å | |
| N14 | C16 | sing | 1.47Å | 1.49Å | |
| C10 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | O18 | doub | 1.22Å | 1.23Å | |
| C2 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.49Å | |
| C22 | C23 | doub | 1.37Å | 1.38Å | Aromatic |
| C23 | N24 | sing | 1.35Å | 1.34Å | Aromatic |
| N24 | C25 | sing | 1.46Å | 1.45Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | N27 | sing | 1.35Å | 1.34Å | |
| N27 | C28 | sing | 1.46Å | 1.46Å | |
| N27 | C29 | sing | 1.47Å | 1.46Å | |
| C26 | O30 | doub | 1.21Å | 1.22Å | |
| N24 | N31 | sing | 1.40Å | 1.35Å | Aromatic |
| N31 | C32 | doub | 1.31Å | 1.32Å | Aromatic |
| C21 | N33 | doub | 1.32Å | 1.32Å | Aromatic |
| N33 | C34 | sing | 1.34Å | 1.37Å | Aromatic |
| C34 | C35 | doub | 1.42Å | 1.42Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.42Å | Aromatic |
| C36 | C37 | doub | 1.36Å | 1.36Å | Aromatic |
| C37 | C38 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | C39 | doub | 1.36Å | 1.37Å | Aromatic |
| C17 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | C19 | sing | 1.41Å | 1.43Å | Aromatic |
| C32 | C22 | sing | 1.41Å | 1.41Å | Aromatic |
| C39 | C34 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C28 | H28C | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29C | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15C | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C16 | H16C | sing | 1.09Å | 1.10Å | |
| C17 | H17 | 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 | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7C | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 109.7° | 109.5° |
| C1 | C2 | C19 | 115.9° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C1 | C2 | H2 | 105.4° | 109.5° |
| C2 | N3 | C4 | 122.0° | 120.0° |
| N3 | C2 | C19 | 113.3° | 109.4° |
| N3 | C2 | H2 | 106.1° | 109.5° |
| C2 | N3 | H3 | 119.0° | 120.0° |
| N3 | C4 | C5 | 117.0° | 120.0° |
| N3 | C4 | O18 | 122.2° | 120.1° |
| C4 | N3 | H3 | 119.0° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C5 | C4 | O18 | 120.9° | 119.9° |
| C4 | C5 | C17 | 119.5° | 120.1° |
| C5 | C6 | C7 | 122.5° | 120.0° |
| C5 | C6 | C8 | 118.0° | 120.0° |
| C6 | C5 | C17 | 120.1° | 119.8° |
| C7 | C6 | C8 | 119.6° | 120.0° |
| C6 | C7 | H7B | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| C6 | C7 | H7C | 109.4° | 109.5° |
| C6 | C8 | C9 | 122.0° | 120.2° |
| C6 | C8 | H8 | 119.0° | 119.9° |
| C8 | C9 | C10 | 119.6° | 120.2° |
| C9 | C8 | H8 | 119.0° | 119.9° |
| C8 | C9 | H9 | 120.2° | 119.8° |
| C9 | C10 | O11 | 114.5° | 120.0° |
| C9 | C10 | C17 | 120.1° | 120.1° |
| C10 | C9 | H9 | 120.2° | 119.9° |
| C10 | O11 | C12 | 118.4° | 117.0° |
| O11 | C10 | C17 | 125.3° | 120.0° |
| O11 | C12 | C13 | 105.7° | 109.5° |
| O11 | C12 | H12A | 110.4° | 109.5° |
| O11 | C12 | H12B | 110.4° | 109.5° |
| C12 | C13 | N14 | 113.6° | 109.5° |
| C13 | C12 | H12A | 110.4° | 109.5° |
| C13 | C12 | H12B | 110.4° | 109.5° |
| C12 | C13 | H13A | 108.4° | 109.4° |
| C12 | C13 | H13B | 108.5° | 109.5° |
| C13 | N14 | C15 | 111.6° | 111.0° |
| C13 | N14 | C16 | 111.8° | 111.0° |
| N14 | C13 | H13A | 108.4° | 109.5° |
| N14 | C13 | H13B | 108.4° | 109.5° |
| C15 | N14 | C16 | 110.6° | 111.0° |
| N14 | C15 | H15A | 109.5° | 109.4° |
| N14 | C15 | H15C | 109.5° | 109.5° |
| N14 | C15 | H15B | 109.5° | 109.5° |
| N14 | C16 | H16A | 109.5° | 109.4° |
| N14 | C16 | H16B | 109.4° | 109.5° |
| N14 | C16 | H16C | 109.5° | 109.5° |
| C10 | C17 | C5 | 120.2° | 119.8° |
| C10 | C17 | H17 | 119.9° | 120.1° |
| C2 | C19 | C20 | 120.6° | 120.9° |
| C2 | C19 | C35 | 121.1° | 120.9° |
| C19 | C2 | H2 | 105.5° | 109.5° |
| C19 | C20 | C21 | 120.1° | 119.8° |
| C20 | C19 | C35 | 118.3° | 118.2° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | C22 | 120.6° | 119.2° |
| C20 | C21 | N33 | 123.8° | 121.5° |
| C21 | C20 | H20 | 120.0° | 120.1° |
| C21 | C22 | C23 | 127.8° | 126.2° |
| C22 | C21 | N33 | 115.6° | 119.3° |
| C21 | C22 | C32 | 128.4° | 126.2° |
| C22 | C23 | N24 | 107.5° | 107.6° |
| C23 | C22 | C32 | 103.8° | 107.5° |
| C22 | C23 | H23 | 126.2° | 126.2° |
| C23 | N24 | C25 | 127.6° | 125.9° |
| C23 | N24 | N31 | 112.0° | 108.2° |
| N24 | C23 | H23 | 126.2° | 126.2° |
| N24 | C25 | C26 | 113.2° | 109.5° |
| C25 | N24 | N31 | 120.4° | 125.9° |
| N24 | C25 | H25A | 108.5° | 109.5° |
| N24 | C25 | H25B | 108.5° | 109.5° |
| C25 | C26 | N27 | 116.7° | 120.0° |
| C25 | C26 | O30 | 121.0° | 119.9° |
| C26 | C25 | H25A | 108.5° | 109.5° |
| C26 | C25 | H25B | 108.5° | 109.4° |
| C26 | N27 | C28 | 122.4° | 120.0° |
| C26 | N27 | C29 | 121.8° | 120.0° |
| N27 | C26 | O30 | 122.2° | 120.0° |
| C28 | N27 | C29 | 115.8° | 120.1° |
| N27 | C28 | H28B | 109.5° | 109.5° |
| N27 | C28 | H28C | 109.4° | 109.5° |
| N27 | C28 | H28A | 109.5° | 109.5° |
| N27 | C29 | H29B | 109.5° | 109.4° |
| N27 | C29 | H29A | 109.5° | 109.5° |
| N27 | C29 | H29C | 109.5° | 109.5° |
| N24 | N31 | C32 | 104.5° | 108.6° |
| N31 | C32 | C22 | 112.2° | 108.1° |
| N31 | C32 | H32 | 123.9° | 125.9° |
| C21 | N33 | C34 | 117.6° | 121.2° |
| N33 | C34 | C35 | 122.6° | 119.9° |
| N33 | C34 | C39 | 118.4° | 121.0° |
| C34 | C35 | C36 | 118.4° | 119.6° |
| C34 | C35 | C19 | 117.5° | 119.2° |
| C35 | C34 | C39 | 119.0° | 119.1° |
| C35 | C36 | C37 | 120.9° | 119.7° |
| C36 | C35 | C19 | 124.1° | 121.2° |
| C35 | C36 | H36 | 119.6° | 120.2° |
| C36 | C37 | C38 | 120.6° | 120.8° |
| C37 | C36 | H36 | 119.6° | 120.1° |
| C36 | C37 | H37 | 119.7° | 119.6° |
| C37 | C38 | C39 | 120.7° | 121.1° |
| C38 | C37 | H37 | 119.7° | 119.6° |
| C37 | C38 | H38 | 119.7° | 119.4° |
| C38 | C39 | C34 | 120.5° | 119.7° |
| C39 | C38 | H38 | 119.7° | 119.5° |
| C38 | C39 | H39 | 119.7° | 120.2° |
| C5 | C17 | H17 | 119.9° | 120.1° |
| C22 | C32 | H32 | 123.9° | 126.0° |
| C34 | C39 | H39 | 119.8° | 120.1° |
| H25A | C25 | H25B | 109.4° | 109.5° |
| H28B | C28 | H28C | 109.5° | 109.4° |
| H28B | C28 | H28A | 109.5° | 109.5° |
| H28C | C28 | H28A | 109.5° | 109.5° |
| H29B | C29 | H29A | 109.5° | 109.5° |
| H29B | C29 | H29C | 109.4° | 109.5° |
| H29A | C29 | H29C | 109.5° | 109.4° |
| H12A | C12 | H12B | 109.5° | 109.4° |
| H13A | C13 | H13B | 109.4° | 109.5° |
| H15A | C15 | H15C | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H15C | C15 | H15B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16C | 109.5° | 109.5° |
| H16B | C16 | H16C | 109.5° | 109.5° |
| H1B | C1 | H1C | 109.4° | 109.5° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| H1C | C1 | H1A | 109.4° | 109.4° |
| H7B | C7 | H7A | 109.4° | 109.5° |
| H7B | C7 | H7C | 109.4° | 109.5° |
| H7A | C7 | H7C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | C19 | 131.2° | 120.0° |
| C1 | C2 | N3 | H2 | 113.5° | 120.1° |
| C1 | C2 | N3 | C4 | 159.5° | 85.0° |
| C1 | C2 | C19 | H2 | 116.2° | 120.1° |
| C1 | C2 | C19 | C20 | 117.0° | 95.0° |
| C1 | C2 | C19 | C35 | 61.2° | 85.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C2 | C1 | H1C | H1A | 120.0° | 119.9° |
| C1 | C2 | N3 | H3 | 20.5° | 95.0° |
| C2 | N3 | C4 | H3 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 174.7° | 180.0° |
| C2 | N3 | C4 | O18 | 5.0° | 0.0° |
| N3 | C2 | C19 | H2 | 115.7° | 120.0° |
| N3 | C2 | C19 | C20 | 114.9° | 25.0° |
| N3 | C2 | C19 | C35 | 66.9° | 155.0° |
| N3 | C2 | C1 | H1B | 180.0° | 60.0° |
| N3 | C2 | C1 | H1C | 60.0° | 60.1° |
| N3 | C2 | C1 | H1A | 60.0° | 180.0° |
| N3 | C4 | C5 | O18 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 110.5° | 173.8° |
| C4 | N3 | C2 | C19 | 69.2° | 155.0° |
| N3 | C4 | C5 | C17 | 69.3° | 6.2° |
| C4 | N3 | C2 | H2 | 46.1° | 35.0° |
| C4 | C5 | C6 | C17 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C4 | C5 | C6 | C8 | 179.7° | 180.0° |
| C4 | C5 | C17 | C10 | 179.8° | 180.0° |
| C4 | C5 | C17 | H17 | 0.3° | 0.0° |
| C5 | C4 | N3 | H3 | 5.3° | 0.1° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C5 | C6 | C8 | C9 | 0.1° | 0.2° |
| C6 | C5 | C17 | C10 | 0.1° | 0.0° |
| C6 | C5 | C4 | O18 | 69.2° | 6.3° |
| C6 | C5 | C17 | H17 | 179.9° | 179.9° |
| C5 | C6 | C7 | H7B | 90.1° | 83.4° |
| C5 | C6 | C7 | H7A | 149.9° | 156.6° |
| C5 | C6 | C7 | H7C | 29.8° | 36.6° |
| C5 | C6 | C8 | H8 | 180.0° | 180.0° |
| C7 | C6 | C8 | C9 | 179.7° | 179.8° |
| C7 | C6 | C5 | C17 | 179.6° | 180.0° |
| C6 | C7 | H7B | H7A | 120.0° | 120.0° |
| C6 | C7 | H7B | H7C | 120.0° | 120.0° |
| C6 | C7 | H7A | H7C | 120.0° | 120.0° |
| C7 | C6 | C8 | H8 | 0.3° | 0.0° |
| C6 | C8 | C9 | H8 | 180.0° | 179.7° |
| C6 | C8 | C9 | C10 | 0.0° | 0.5° |
| C8 | C6 | C5 | C17 | 0.1° | 0.0° |
| C8 | C6 | C7 | H7B | 90.1° | 96.6° |
| C8 | C6 | C7 | H7A | 29.9° | 23.4° |
| C8 | C6 | C7 | H7C | 149.9° | 143.4° |
| C6 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.6° |
| C8 | C9 | C10 | O11 | 179.9° | 179.8° |
| C8 | C9 | C10 | C17 | 0.1° | 0.4° |
| C9 | C10 | O11 | C17 | 180.0° | 179.8° |
| C9 | C10 | O11 | C12 | 177.6° | 0.2° |
| C9 | C10 | C17 | C5 | 0.0° | 0.2° |
| C9 | C10 | C17 | H17 | 180.0° | 179.8° |
| C10 | C9 | C8 | H8 | 179.9° | 179.8° |
| C10 | O11 | C12 | C13 | 151.5° | 180.0° |
| O11 | C10 | C17 | C5 | 180.0° | 180.0° |
| C10 | O11 | C12 | H12A | 89.0° | 59.9° |
| C10 | O11 | C12 | H12B | 32.1° | 60.0° |
| O11 | C10 | C17 | H17 | 0.0° | 0.0° |
| O11 | C10 | C9 | H9 | 0.1° | 0.2° |
| O11 | C12 | C13 | H12A | 119.4° | 120.0° |
| O11 | C12 | C13 | H12B | 119.4° | 120.0° |
| O11 | C12 | C13 | N14 | 111.2° | 65.0° |
| C12 | O11 | C10 | C17 | 2.3° | 180.0° |
| O11 | C12 | H12A | H12B | 121.7° | 120.0° |
| O11 | C12 | C13 | H13A | 128.2° | 175.0° |
| O11 | C12 | C13 | H13B | 9.5° | 55.0° |
| C12 | C13 | N14 | H13A | 120.6° | 120.0° |
| C12 | C13 | N14 | H13B | 120.6° | 120.0° |
| C12 | C13 | N14 | C15 | 103.7° | 66.0° |
| C12 | C13 | N14 | C16 | 131.9° | 170.0° |
| C13 | C12 | H12A | H12B | 121.8° | 120.1° |
| C12 | C13 | H13A | H13B | 118.1° | 120.0° |
| C13 | N14 | C15 | C16 | 125.1° | 124.0° |
| N14 | C13 | C12 | H12A | 8.2° | 175.0° |
| N14 | C13 | C12 | H12B | 129.5° | 55.0° |
| N14 | C13 | H13A | H13B | 118.1° | 120.0° |
| C13 | N14 | C15 | H15A | 180.0° | 60.0° |
| C13 | N14 | C15 | H15C | 60.0° | 180.0° |
| C13 | N14 | C15 | H15B | 60.0° | 60.0° |
| C13 | N14 | C16 | H16A | 180.0° | 60.0° |
| C13 | N14 | C16 | H16B | 60.0° | 180.0° |
| C13 | N14 | C16 | H16C | 60.0° | 60.0° |
| C15 | N14 | C13 | H13A | 16.9° | 54.0° |
| C15 | N14 | C13 | H13B | 135.7° | 174.0° |
| N14 | C15 | H15A | H15C | 120.0° | 120.0° |
| N14 | C15 | H15A | H15B | 120.0° | 120.0° |
| N14 | C15 | H15C | H15B | 120.0° | 120.0° |
| C15 | N14 | C16 | H16A | 55.0° | 176.0° |
| C15 | N14 | C16 | H16B | 65.1° | 56.1° |
| C15 | N14 | C16 | H16C | 175.0° | 64.0° |
| C16 | N14 | C13 | H13A | 107.5° | 70.0° |
| C16 | N14 | C13 | H13B | 11.2° | 50.0° |
| C16 | N14 | C15 | H15A | 54.9° | 64.0° |
| C16 | N14 | C15 | H15C | 174.8° | 56.1° |
| C16 | N14 | C15 | H15B | 65.2° | 176.1° |
| N14 | C16 | H16A | H16B | 120.0° | 120.0° |
| N14 | C16 | H16A | H16C | 120.0° | 120.0° |
| N14 | C16 | H16B | H16C | 120.0° | 120.0° |
| C10 | C17 | C5 | H17 | 180.0° | 180.0° |
| C17 | C10 | C9 | H9 | 180.0° | 180.0° |
| O18 | C4 | C5 | C17 | 110.9° | 173.7° |
| O18 | C4 | N3 | H3 | 175.0° | 180.0° |
| C2 | C19 | C20 | C35 | 178.2° | 180.0° |
| C2 | C19 | C20 | C21 | 178.0° | 180.0° |
| C2 | C19 | C35 | C34 | 177.8° | 180.0° |
| C2 | C19 | C35 | C36 | 3.1° | 0.2° |
| C2 | C19 | C20 | H20 | 2.0° | 0.3° |
| C19 | C2 | C1 | H1B | 50.1° | 59.9° |
| C19 | C2 | C1 | H1C | 69.9° | 180.0° |
| C19 | C2 | C1 | H1A | 170.1° | 60.1° |
| C19 | C2 | N3 | H3 | 110.8° | 25.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.6° |
| C19 | C20 | C21 | C22 | 177.7° | 179.8° |
| C19 | C20 | C21 | N33 | 0.2° | 0.2° |
| C20 | C19 | C35 | C34 | 0.4° | 0.0° |
| C20 | C19 | C35 | C36 | 178.8° | 179.7° |
| C20 | C19 | C2 | H2 | 0.8° | 145.0° |
| C20 | C21 | C22 | N33 | 178.1° | 180.0° |
| C20 | C21 | C22 | C23 | 148.1° | 180.0° |
| C20 | C21 | N33 | C34 | 0.4° | 0.5° |
| C21 | C20 | C19 | C35 | 0.2° | 0.0° |
| C20 | C21 | C22 | C32 | 29.7° | 0.2° |
| C21 | C22 | C23 | C32 | 178.2° | 179.8° |
| C21 | C22 | C23 | N24 | 178.2° | 180.0° |
| C21 | C22 | C32 | N31 | 178.2° | 180.0° |
| C22 | C21 | N33 | C34 | 177.6° | 179.5° |
| C22 | C21 | C20 | H20 | 2.3° | 0.1° |
| C21 | C22 | C23 | H23 | 1.8° | 0.0° |
| C21 | C22 | C32 | H32 | 1.8° | 0.1° |
| C22 | C23 | N24 | H23 | 180.0° | 180.0° |
| C22 | C23 | N24 | C25 | 179.0° | 180.0° |
| C22 | C23 | N24 | N31 | 0.0° | 0.1° |
| C23 | C22 | C32 | N31 | 0.0° | 0.2° |
| C23 | C22 | C21 | N33 | 30.0° | 0.0° |
| C23 | C22 | C32 | H32 | 180.0° | 179.7° |
| C23 | N24 | C25 | N31 | 179.0° | 179.8° |
| C23 | N24 | C25 | C26 | 74.9° | 125.1° |
| C23 | N24 | N31 | C32 | 0.0° | 0.0° |
| N24 | C23 | C22 | C32 | 0.0° | 0.2° |
| C23 | N24 | C25 | H25A | 45.7° | 5.0° |
| C23 | N24 | C25 | H25B | 164.5° | 115.0° |
| N24 | C25 | C26 | H25A | 120.6° | 120.1° |
| N24 | C25 | C26 | H25B | 120.6° | 120.0° |
| N24 | C25 | C26 | N27 | 175.3° | 180.0° |
| N24 | C25 | C26 | O30 | 4.7° | 0.0° |
| C25 | N24 | N31 | C32 | 179.1° | 179.8° |
| C25 | N24 | C23 | H23 | 0.9° | 0.0° |
| N24 | C25 | H25A | H25B | 118.3° | 120.1° |
| C25 | C26 | N27 | O30 | 179.9° | 179.9° |
| C25 | C26 | N27 | C28 | 0.1° | 180.0° |
| C25 | C26 | N27 | C29 | 179.9° | 0.1° |
| C26 | C25 | N24 | N31 | 104.1° | 54.8° |
| C26 | C25 | H25A | H25B | 118.3° | 119.9° |
| C26 | N27 | C28 | C29 | 179.9° | 180.0° |
| N27 | C26 | C25 | H25A | 64.1° | 59.9° |
| N27 | C26 | C25 | H25B | 54.8° | 60.0° |
| C26 | N27 | C28 | H28B | 180.0° | 90.0° |
| C26 | N27 | C28 | H28C | 60.0° | 150.1° |
| C26 | N27 | C28 | H28A | 60.0° | 30.0° |
| C26 | N27 | C29 | H29B | 180.0° | 60.0° |
| C26 | N27 | C29 | H29A | 60.0° | 179.9° |
| C26 | N27 | C29 | H29C | 60.0° | 60.0° |
| C28 | N27 | C26 | O30 | 179.9° | 0.0° |
| N27 | C28 | H28B | H28C | 120.0° | 120.0° |
| N27 | C28 | H28B | H28A | 120.0° | 120.1° |
| N27 | C28 | H28C | H28A | 120.0° | 120.1° |
| C28 | N27 | C29 | H29B | 0.1° | 120.0° |
| C28 | N27 | C29 | H29A | 119.9° | 0.0° |
| C28 | N27 | C29 | H29C | 120.1° | 120.0° |
| C29 | N27 | C26 | O30 | 0.2° | 180.0° |
| C29 | N27 | C28 | H28B | 0.1° | 90.0° |
| C29 | N27 | C28 | H28C | 120.1° | 30.0° |
| C29 | N27 | C28 | H28A | 119.9° | 150.0° |
| N27 | C29 | H29B | H29A | 120.0° | 120.0° |
| N27 | C29 | H29B | H29C | 120.0° | 120.0° |
| N27 | C29 | H29A | H29C | 120.0° | 120.0° |
| O30 | C26 | C25 | H25A | 115.9° | 120.0° |
| O30 | C26 | C25 | H25B | 125.3° | 120.0° |
| N24 | N31 | C32 | C22 | 0.0° | 0.1° |
| N31 | N24 | C23 | H23 | 180.0° | 179.9° |
| N31 | N24 | C25 | H25A | 135.3° | 174.8° |
| N31 | N24 | C25 | H25B | 16.5° | 65.2° |
| N24 | N31 | C32 | H32 | 180.0° | 179.7° |
| N31 | C32 | C22 | H32 | 180.0° | 179.9° |
| C21 | N33 | C34 | C35 | 0.1° | 0.5° |
| N33 | C21 | C22 | C32 | 152.3° | 179.8° |
| C21 | N33 | C34 | C39 | 179.0° | 179.5° |
| N33 | C21 | C20 | H20 | 179.8° | 179.9° |
| N33 | C34 | C35 | C39 | 179.1° | 180.0° |
| N33 | C34 | C35 | C36 | 179.0° | 180.0° |
| N33 | C34 | C39 | C38 | 179.0° | 180.0° |
| N33 | C34 | C35 | C19 | 0.3° | 0.2° |
| N33 | C34 | C39 | H39 | 1.0° | 0.1° |
| C34 | C35 | C36 | C19 | 179.2° | 179.8° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C35 | C34 | C39 | C38 | 0.1° | 0.0° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| C35 | C34 | C39 | H39 | 179.9° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C36 | C35 | C34 | C39 | 0.1° | 0.0° |
| C35 | C36 | C37 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.0° | 0.0° |
| C37 | C36 | C35 | C19 | 179.3° | 179.8° |
| C36 | C37 | C38 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C34 | 0.0° | 0.0° |
| C38 | C37 | C36 | H36 | 179.9° | 180.0° |
| C37 | C38 | C39 | H39 | 180.0° | 180.0° |
| C38 | C39 | C34 | H39 | 180.0° | 179.9° |
| C39 | C38 | C37 | H37 | 180.0° | 180.0° |
| C19 | C35 | C34 | C39 | 179.4° | 179.8° |
| C35 | C19 | C20 | H20 | 179.8° | 179.6° |
| C35 | C19 | C2 | H2 | 177.4° | 35.1° |
| C19 | C35 | C36 | H36 | 0.7° | 0.2° |
| C32 | C22 | C23 | H23 | 180.0° | 179.8° |
| C34 | C39 | C38 | H38 | 180.0° | 179.9° |
| H28B | C28 | H28C | H28A | 120.0° | 119.9° |
| H29B | C29 | H29A | H29C | 120.0° | 120.1° |
| H12A | C12 | C13 | H13A | 112.4° | 55.0° |
| H12A | C12 | C13 | H13B | 128.9° | 65.0° |
| H12B | C12 | C13 | H13A | 8.8° | 65.0° |
| H12B | C12 | C13 | H13B | 109.9° | 175.0° |
| H15A | C15 | H15C | H15B | 120.0° | 120.0° |
| H16A | C16 | H16B | H16C | 120.0° | 120.0° |
| H1B | C1 | H1C | H1A | 120.0° | 120.0° |
| H1B | C1 | C2 | H2 | 66.1° | 180.0° |
| H1C | C1 | C2 | H2 | 173.9° | 60.0° |
| H1A | C1 | C2 | H2 | 53.9° | 59.9° |
| H2 | C2 | N3 | H3 | 133.9° | 144.9° |
| H36 | C36 | C37 | H37 | 0.1° | 0.1° |
| H37 | C37 | C38 | H38 | 0.0° | 0.0° |
| H38 | C38 | C39 | H39 | 0.0° | 0.0° |
| H7B | C7 | H7A | H7C | 120.0° | 120.0° |
| H8 | C8 | C9 | H9 | 0.0° | 0.2° |
