T95
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C7 | doub | 1.22Å | 1.24Å | |
| C7 | N8 | sing | 1.35Å | 1.35Å | |
| C7 | C5 | sing | 1.47Å | 1.52Å | |
| N8 | C9 | sing | 1.40Å | 1.37Å | |
| C9 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C35 | sing | 1.51Å | 1.52Å | |
| C33 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C34 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | O10 | sing | 1.35Å | 1.38Å | |
| C4 | N3 | doub | 1.33Å | 1.37Å | Aromatic |
| O10 | C11 | sing | 1.36Å | 1.37Å | |
| C11 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | O26 | sing | 1.36Å | 1.37Å | |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| O26 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | N13 | sing | 1.38Å | 1.36Å | |
| N13 | C14 | sing | 1.40Å | 1.36Å | |
| C14 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | N20 | sing | 1.40Å | 1.38Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| N20 | C40 | sing | 1.47Å | 1.47Å | |
| N20 | C36 | sing | 1.47Å | 1.48Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | N38 | sing | 1.47Å | 1.45Å | |
| N38 | C37 | sing | 1.47Å | 1.47Å | |
| N38 | C41 | sing | 1.47Å | 1.46Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | O43 | sing | 1.43Å | 1.44Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C7 | N8 | 121.8° | 120.0° |
| O12 | C7 | C5 | 120.9° | 120.0° |
| N8 | C7 | C5 | 117.3° | 120.0° |
| C7 | N8 | C9 | 121.7° | 120.0° |
| C7 | N8 | HN8 | 119.2° | 120.0° |
| C7 | C5 | C6 | 121.1° | 120.9° |
| C7 | C5 | C4 | 121.8° | 120.9° |
| N8 | C9 | C33 | 121.5° | 120.1° |
| N8 | C9 | C29 | 119.6° | 120.1° |
| C9 | N8 | HN8 | 119.2° | 120.0° |
| C33 | C9 | C29 | 118.9° | 119.9° |
| C9 | C33 | C35 | 122.0° | 120.0° |
| C9 | C33 | C32 | 119.5° | 119.9° |
| C9 | C29 | C30 | 120.8° | 119.9° |
| C9 | C29 | C34 | 120.1° | 120.0° |
| C35 | C33 | C32 | 118.5° | 120.1° |
| C33 | C35 | H35 | 109.5° | 109.5° |
| C33 | C35 | H35A | 109.4° | 109.5° |
| C33 | C35 | H35B | 109.5° | 109.5° |
| C33 | C32 | C31 | 121.3° | 120.1° |
| C33 | C32 | H32 | 119.3° | 119.9° |
| C32 | C31 | C30 | 119.4° | 120.2° |
| C31 | C32 | H32 | 119.3° | 120.0° |
| C32 | C31 | H31 | 120.3° | 119.9° |
| C31 | C30 | C29 | 120.1° | 120.1° |
| C30 | C31 | H31 | 120.4° | 119.9° |
| C31 | C30 | H30 | 120.0° | 120.0° |
| C30 | C29 | C34 | 119.1° | 120.1° |
| C29 | C30 | H30 | 120.0° | 119.9° |
| C29 | C34 | H34 | 109.5° | 109.5° |
| C29 | C34 | H34A | 109.5° | 109.4° |
| C29 | C34 | H34B | 109.4° | 109.5° |
| C6 | C5 | C4 | 117.1° | 118.2° |
| C5 | C6 | N1 | 121.0° | 119.1° |
| C5 | C6 | H6 | 119.5° | 120.5° |
| C5 | C4 | O10 | 121.3° | 120.6° |
| C5 | C4 | N3 | 119.8° | 118.8° |
| C6 | N1 | C2 | 121.3° | 121.0° |
| N1 | C6 | H6 | 119.5° | 120.5° |
| N1 | C2 | N3 | 119.0° | 122.1° |
| N1 | C2 | N13 | 118.6° | 119.0° |
| O10 | C4 | N3 | 118.9° | 120.5° |
| C4 | O10 | C11 | 117.1° | 118.0° |
| C4 | N3 | C2 | 121.7° | 120.8° |
| O10 | C11 | C25 | 120.2° | 120.1° |
| O10 | C11 | C21 | 120.0° | 120.1° |
| C25 | C11 | C21 | 119.8° | 119.8° |
| C11 | C25 | O26 | 119.1° | 120.1° |
| C11 | C25 | C24 | 119.9° | 119.8° |
| C11 | C21 | C22 | 119.5° | 120.0° |
| C11 | C21 | H21 | 120.2° | 120.0° |
| O26 | C25 | C24 | 120.9° | 120.1° |
| C25 | O26 | C27 | 122.8° | 117.0° |
| C25 | C24 | C23 | 120.8° | 120.0° |
| C25 | C24 | H24 | 119.6° | 120.0° |
| O26 | C27 | C28 | 107.5° | 109.5° |
| O26 | C27 | H27 | 110.1° | 109.5° |
| O26 | C27 | H27A | 110.6° | 109.4° |
| C28 | C27 | H27 | 110.1° | 109.5° |
| C28 | C27 | H27A | 110.5° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.4° |
| C27 | C28 | H28A | 109.5° | 109.5° |
| C27 | C28 | H28B | 109.5° | 109.4° |
| C24 | C23 | C22 | 118.9° | 120.2° |
| C23 | C24 | H24 | 119.6° | 120.0° |
| C24 | C23 | H23 | 120.6° | 119.9° |
| C23 | C22 | C21 | 121.1° | 120.1° |
| C22 | C23 | H23 | 120.6° | 119.9° |
| C23 | C22 | H22 | 119.5° | 119.9° |
| C21 | C22 | H22 | 119.5° | 119.9° |
| C22 | C21 | H21 | 120.2° | 120.0° |
| N3 | C2 | N13 | 122.4° | 119.0° |
| C2 | N13 | C14 | 126.7° | 120.0° |
| C2 | N13 | HN13 | 116.6° | 120.0° |
| N13 | C14 | C19 | 119.0° | 120.0° |
| N13 | C14 | C15 | 122.7° | 120.0° |
| C14 | N13 | HN13 | 116.7° | 120.0° |
| C19 | C14 | C15 | 118.3° | 120.0° |
| C14 | C19 | C18 | 121.4° | 120.0° |
| C14 | C19 | H19 | 119.3° | 120.0° |
| C14 | C15 | C16 | 120.5° | 120.0° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C19 | C18 | C17 | 120.3° | 120.0° |
| C18 | C19 | H19 | 119.3° | 120.0° |
| C19 | C18 | H18 | 119.8° | 120.0° |
| C18 | C17 | C16 | 118.6° | 120.0° |
| C18 | C17 | N20 | 120.8° | 120.0° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C16 | C17 | N20 | 120.5° | 120.0° |
| C17 | C16 | C15 | 120.9° | 120.0° |
| C17 | C16 | H16 | 119.6° | 120.1° |
| C17 | N20 | C40 | 117.7° | 111.0° |
| C17 | N20 | C36 | 118.6° | 111.0° |
| C15 | C16 | H16 | 119.6° | 120.0° |
| C16 | C15 | H15 | 119.8° | 120.0° |
| C40 | N20 | C36 | 123.7° | 110.9° |
| N20 | C40 | C39 | 113.0° | 109.4° |
| N20 | C40 | H40 | 108.3° | 109.5° |
| N20 | C40 | H40A | 107.5° | 109.5° |
| N20 | C36 | C37 | 111.5° | 109.4° |
| N20 | C36 | H36 | 108.8° | 109.5° |
| N20 | C36 | H36A | 108.4° | 109.5° |
| C40 | C39 | N38 | 105.1° | 109.4° |
| C39 | C40 | H40 | 108.3° | 109.4° |
| C39 | C40 | H40A | 107.5° | 109.5° |
| C40 | C39 | H39 | 110.9° | 109.5° |
| C40 | C39 | H39A | 111.9° | 109.4° |
| C39 | N38 | C37 | 110.4° | 110.9° |
| C39 | N38 | C41 | 112.2° | 111.0° |
| N38 | C39 | H39 | 111.0° | 109.5° |
| N38 | C39 | H39A | 111.9° | 109.5° |
| C37 | N38 | C41 | 115.4° | 111.0° |
| N38 | C37 | C36 | 105.3° | 109.4° |
| N38 | C37 | H37 | 110.9° | 109.5° |
| N38 | C37 | H37A | 111.8° | 109.5° |
| N38 | C41 | C42 | 109.9° | 109.5° |
| N38 | C41 | H41 | 109.3° | 109.4° |
| N38 | C41 | H41A | 109.3° | 109.5° |
| C36 | C37 | H37 | 110.9° | 109.5° |
| C36 | C37 | H37A | 111.8° | 109.4° |
| C37 | C36 | H36 | 108.8° | 109.5° |
| C37 | C36 | H36A | 108.3° | 109.4° |
| C41 | C42 | O43 | 111.1° | 109.5° |
| C42 | C41 | H41 | 109.3° | 109.5° |
| C42 | C41 | H41A | 109.2° | 109.5° |
| C41 | C42 | H42 | 108.9° | 109.5° |
| C41 | C42 | H42A | 108.6° | 109.5° |
| O43 | C42 | H42 | 108.9° | 109.5° |
| O43 | C42 | H42A | 108.5° | 109.4° |
| C42 | O43 | HO43 | 109.5° | 114.0° |
| H35 | C35 | H35A | 109.5° | 109.4° |
| H35 | C35 | H35B | 109.4° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.4° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.4° |
| H27 | C27 | H27A | 108.0° | 109.5° |
| H28 | C28 | H28A | 109.4° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H40 | C40 | H40A | 112.2° | 109.5° |
| H39 | C39 | H39A | 106.1° | 109.5° |
| H37 | C37 | H37A | 106.3° | 109.5° |
| H36 | C36 | H36A | 111.1° | 109.5° |
| H41 | C41 | H41A | 109.8° | 109.4° |
| H42 | C42 | H42A | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C7 | N8 | C5 | 178.6° | 179.7° |
| O12 | C7 | N8 | C9 | 5.2° | 4.6° |
| O12 | C7 | C5 | C6 | 25.0° | 180.0° |
| O12 | C7 | C5 | C4 | 155.6° | 0.2° |
| O12 | C7 | N8 | HN8 | 174.9° | 175.3° |
| C7 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C7 | N8 | C9 | C33 | 85.7° | 128.7° |
| C7 | N8 | C9 | C29 | 95.0° | 51.6° |
| N8 | C7 | C5 | C6 | 153.6° | 0.3° |
| N8 | C7 | C5 | C4 | 25.8° | 179.5° |
| C5 | C7 | N8 | C9 | 176.2° | 175.7° |
| C7 | C5 | C6 | C4 | 179.5° | 179.8° |
| C7 | C5 | C6 | N1 | 179.6° | 180.0° |
| C7 | C5 | C4 | O10 | 1.1° | 0.0° |
| C7 | C5 | C4 | N3 | 179.3° | 180.0° |
| C5 | C7 | N8 | HN8 | 3.7° | 4.3° |
| C7 | C5 | C6 | H6 | 0.4° | 0.0° |
| N8 | C9 | C33 | C29 | 179.4° | 179.7° |
| N8 | C9 | C33 | C35 | 0.5° | 0.0° |
| N8 | C9 | C33 | C32 | 179.3° | 179.9° |
| N8 | C9 | C29 | C30 | 179.1° | 179.7° |
| N8 | C9 | C29 | C34 | 0.0° | 0.1° |
| C9 | C33 | C35 | C32 | 179.8° | 179.9° |
| C9 | C33 | C32 | C31 | 0.8° | 0.1° |
| C33 | C9 | C29 | C30 | 1.5° | 0.6° |
| C33 | C9 | C29 | C34 | 179.4° | 179.8° |
| C33 | C9 | N8 | HN8 | 94.4° | 51.2° |
| C9 | C33 | C35 | H35 | 161.4° | 90.0° |
| C9 | C33 | C35 | H35A | 78.6° | 150.0° |
| C9 | C33 | C35 | H35B | 41.4° | 30.0° |
| C9 | C33 | C32 | H32 | 179.1° | 180.0° |
| C29 | C9 | C33 | C35 | 178.9° | 179.6° |
| C29 | C9 | C33 | C32 | 1.3° | 0.3° |
| C9 | C29 | C30 | C31 | 1.2° | 0.6° |
| C9 | C29 | C30 | C34 | 179.1° | 179.6° |
| C29 | C9 | N8 | HN8 | 85.0° | 128.4° |
| C9 | C29 | C30 | H30 | 178.8° | 179.6° |
| C9 | C29 | C34 | H34 | 89.2° | 97.1° |
| C9 | C29 | C34 | H34A | 30.8° | 142.9° |
| C9 | C29 | C34 | H34B | 150.9° | 23.0° |
| C35 | C33 | C32 | C31 | 179.4° | 180.0° |
| C33 | C35 | H35 | H35A | 120.0° | 120.0° |
| C33 | C35 | H35 | H35B | 120.0° | 120.0° |
| C33 | C35 | H35A | H35B | 120.0° | 120.0° |
| C35 | C33 | C32 | H32 | 0.7° | 0.1° |
| C33 | C32 | C31 | H32 | 180.0° | 179.9° |
| C33 | C32 | C31 | C30 | 0.5° | 0.1° |
| C32 | C33 | C35 | H35 | 18.8° | 89.9° |
| C32 | C33 | C35 | H35A | 101.2° | 30.1° |
| C32 | C33 | C35 | H35B | 138.8° | 150.1° |
| C33 | C32 | C31 | H31 | 179.5° | 180.0° |
| C32 | C31 | C30 | H31 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 0.7° | 0.3° |
| C32 | C31 | C30 | H30 | 179.3° | 180.0° |
| C31 | C30 | C29 | H30 | 180.0° | 179.7° |
| C31 | C30 | C29 | C34 | 179.7° | 179.8° |
| C30 | C31 | C32 | H32 | 179.5° | 180.0° |
| C29 | C30 | C31 | H31 | 179.3° | 179.7° |
| C30 | C29 | C34 | H34 | 91.7° | 82.5° |
| C30 | C29 | C34 | H34A | 148.3° | 37.5° |
| C30 | C29 | C34 | H34B | 28.2° | 157.4° |
| C34 | C29 | C30 | H30 | 0.3° | 0.0° |
| C29 | C34 | H34 | H34A | 120.0° | 120.0° |
| C29 | C34 | H34 | H34B | 119.9° | 120.0° |
| C29 | C34 | H34A | H34B | 120.0° | 120.0° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 1.7° | 0.0° |
| C6 | C5 | C4 | O10 | 179.4° | 179.7° |
| C6 | C5 | C4 | N3 | 0.2° | 0.2° |
| C4 | C5 | C6 | N1 | 0.9° | 0.3° |
| C5 | C4 | O10 | N3 | 179.6° | 180.0° |
| C5 | C4 | O10 | C11 | 160.0° | 175.0° |
| C5 | C4 | N3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C6 | H6 | 179.1° | 179.8° |
| C6 | N1 | C2 | N3 | 1.4° | 0.3° |
| C6 | N1 | C2 | N13 | 178.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.3° |
| N1 | C2 | N3 | N13 | 179.8° | 179.7° |
| N1 | C2 | N13 | C14 | 170.6° | 2.4° |
| C2 | N1 | C6 | H6 | 178.3° | 180.0° |
| N1 | C2 | N13 | HN13 | 9.3° | 177.7° |
| C4 | O10 | C11 | C25 | 89.6° | 85.8° |
| C4 | O10 | C11 | C21 | 88.6° | 94.5° |
| O10 | C4 | N3 | C2 | 179.1° | 180.0° |
| N3 | C4 | O10 | C11 | 19.6° | 5.1° |
| C4 | N3 | C2 | N13 | 179.9° | 180.0° |
| O10 | C11 | C25 | C21 | 178.2° | 179.7° |
| O10 | C11 | C25 | O26 | 1.5° | 0.0° |
| O10 | C11 | C25 | C24 | 178.1° | 180.0° |
| O10 | C11 | C21 | C22 | 178.9° | 179.7° |
| O10 | C11 | C21 | H21 | 1.1° | 0.1° |
| C11 | C25 | O26 | C24 | 179.5° | 180.0° |
| C11 | C25 | O26 | C27 | 156.4° | 180.0° |
| C11 | C25 | C24 | C23 | 1.0° | 0.0° |
| C25 | C11 | C21 | C22 | 0.7° | 0.6° |
| C11 | C25 | C24 | H24 | 179.0° | 179.9° |
| C25 | C11 | C21 | H21 | 179.3° | 179.8° |
| C21 | C11 | C25 | O26 | 179.7° | 179.7° |
| C21 | C11 | C25 | C24 | 0.1° | 0.3° |
| C11 | C21 | C22 | C23 | 0.8° | 0.7° |
| C11 | C21 | C22 | H21 | 180.0° | 179.6° |
| C11 | C21 | C22 | H22 | 179.2° | 179.7° |
| C25 | O26 | C27 | C28 | 179.2° | 180.0° |
| O26 | C25 | C24 | C23 | 179.5° | 180.0° |
| C25 | O26 | C27 | H27 | 60.8° | 60.0° |
| C25 | O26 | C27 | H27A | 58.4° | 60.0° |
| O26 | C25 | C24 | H24 | 0.5° | 0.0° |
| C24 | C25 | O26 | C27 | 24.1° | 0.0° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.9° | 0.1° |
| C25 | C24 | C23 | H23 | 179.1° | 180.0° |
| O26 | C27 | C28 | H27 | 120.0° | 120.0° |
| O26 | C27 | C28 | H27A | 120.8° | 119.9° |
| O26 | C27 | H27 | H27A | 120.8° | 119.9° |
| O26 | C27 | C28 | H28 | 132.3° | 180.0° |
| O26 | C27 | C28 | H28A | 12.3° | 60.0° |
| O26 | C27 | C28 | H28B | 107.7° | 60.1° |
| C28 | C27 | H27 | H27A | 120.8° | 120.1° |
| C27 | C28 | H28 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28B | 120.0° | 119.9° |
| C27 | C28 | H28A | H28B | 120.0° | 120.0° |
| C24 | C23 | C22 | H23 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.0° | 0.4° |
| C24 | C23 | C22 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.6° |
| C22 | C23 | C24 | H24 | 179.0° | 180.0° |
| C23 | C22 | C21 | H21 | 179.2° | 179.7° |
| C21 | C22 | C23 | H23 | 179.9° | 179.7° |
| N3 | C2 | N13 | C14 | 9.6° | 177.9° |
| N3 | C2 | N13 | HN13 | 170.4° | 2.0° |
| C2 | N13 | C14 | HN13 | 180.0° | 179.9° |
| C2 | N13 | C14 | C19 | 155.0° | 144.6° |
| C2 | N13 | C14 | C15 | 26.0° | 35.7° |
| N13 | C14 | C19 | C15 | 179.1° | 179.7° |
| N13 | C14 | C19 | C18 | 178.9° | 180.0° |
| N13 | C14 | C15 | C16 | 179.5° | 179.7° |
| N13 | C14 | C19 | H19 | 1.1° | 0.0° |
| N13 | C14 | C15 | H15 | 0.5° | 0.0° |
| C14 | C19 | C18 | H19 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.4° | 0.0° |
| C19 | C14 | C15 | C16 | 0.4° | 0.5° |
| C19 | C14 | N13 | HN13 | 25.0° | 35.5° |
| C14 | C19 | C18 | H18 | 179.6° | 179.9° |
| C19 | C14 | C15 | H15 | 179.5° | 179.8° |
| C15 | C14 | C19 | C18 | 0.2° | 0.2° |
| C14 | C15 | C16 | C17 | 0.9° | 0.6° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C15 | C14 | N13 | HN13 | 154.1° | 144.2° |
| C15 | C14 | C19 | H19 | 179.8° | 179.7° |
| C14 | C15 | C16 | H16 | 179.1° | 179.8° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.0° | 0.0° |
| C19 | C18 | C17 | N20 | 178.1° | 179.9° |
| C18 | C17 | C16 | N20 | 178.1° | 179.9° |
| C18 | C17 | C16 | C15 | 0.6° | 0.3° |
| C18 | C17 | N20 | C40 | 174.4° | 180.0° |
| C18 | C17 | N20 | C36 | 3.8° | 56.2° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C18 | C17 | C16 | H16 | 179.4° | 180.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.7° |
| C16 | C17 | N20 | C40 | 3.7° | 0.1° |
| C16 | C17 | N20 | C36 | 178.1° | 123.9° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| C17 | C16 | C15 | H15 | 179.1° | 179.7° |
| N20 | C17 | C16 | C15 | 178.7° | 179.8° |
| C17 | N20 | C40 | C36 | 178.1° | 123.9° |
| C17 | N20 | C40 | C39 | 155.1° | 176.9° |
| C17 | N20 | C36 | C37 | 154.0° | 176.9° |
| N20 | C17 | C18 | H18 | 1.9° | 0.0° |
| N20 | C17 | C16 | H16 | 1.3° | 0.1° |
| C17 | N20 | C40 | H40 | 84.9° | 63.3° |
| C17 | N20 | C40 | H40A | 36.6° | 56.8° |
| C17 | N20 | C36 | H36 | 34.0° | 56.8° |
| C17 | N20 | C36 | H36A | 86.9° | 63.2° |
| N20 | C40 | C39 | H40 | 120.0° | 119.9° |
| N20 | C40 | C39 | H40A | 118.5° | 120.0° |
| N20 | C40 | C39 | N38 | 43.2° | 58.3° |
| C40 | N20 | C36 | C37 | 24.1° | 59.2° |
| N20 | C40 | H40 | H40A | 118.6° | 120.1° |
| N20 | C40 | C39 | H39 | 163.3° | 178.4° |
| N20 | C40 | C39 | H39A | 78.4° | 61.6° |
| C40 | N20 | C36 | H36 | 144.1° | 179.3° |
| C40 | N20 | C36 | H36A | 95.0° | 60.7° |
| C36 | N20 | C40 | C39 | 23.0° | 59.2° |
| N20 | C36 | C37 | N38 | 45.4° | 58.4° |
| N20 | C36 | C37 | H36 | 120.0° | 120.0° |
| N20 | C36 | C37 | H36A | 119.1° | 119.9° |
| C36 | N20 | C40 | H40 | 97.0° | 60.6° |
| C36 | N20 | C40 | H40A | 141.5° | 179.3° |
| N20 | C36 | C37 | H37 | 165.4° | 178.4° |
| N20 | C36 | C37 | H37A | 76.2° | 61.6° |
| N20 | C36 | H36 | H36A | 119.2° | 120.1° |
| C40 | C39 | N38 | H39 | 120.0° | 120.0° |
| C40 | C39 | N38 | H39A | 121.7° | 119.9° |
| C40 | C39 | N38 | C37 | 73.4° | 59.3° |
| C40 | C39 | N38 | C41 | 156.3° | 176.8° |
| C39 | C40 | H40 | H40A | 118.5° | 120.1° |
| C40 | C39 | H39 | H39A | 121.8° | 120.0° |
| C39 | N38 | C37 | C41 | 128.5° | 123.9° |
| C39 | N38 | C37 | C36 | 75.2° | 59.3° |
| C39 | N38 | C41 | C42 | 66.6° | 170.0° |
| N38 | C39 | C40 | H40 | 76.8° | 61.5° |
| N38 | C39 | C40 | H40A | 161.7° | 178.4° |
| N38 | C39 | H39 | H39A | 121.8° | 120.1° |
| C39 | N38 | C37 | H37 | 164.7° | 179.3° |
| C39 | N38 | C37 | H37A | 46.3° | 60.7° |
| C39 | N38 | C41 | H41 | 173.4° | 50.0° |
| C39 | N38 | C41 | H41A | 53.2° | 70.0° |
| N38 | C37 | C36 | H37 | 120.0° | 120.0° |
| N38 | C37 | C36 | H37A | 121.6° | 120.0° |
| C37 | N38 | C41 | C42 | 60.9° | 66.2° |
| C37 | N38 | C39 | H39 | 166.5° | 179.3° |
| C37 | N38 | C39 | H39A | 48.2° | 60.6° |
| N38 | C37 | H37 | H37A | 121.7° | 120.1° |
| N38 | C37 | C36 | H36 | 165.4° | 178.4° |
| N38 | C37 | C36 | H36A | 73.7° | 61.6° |
| C37 | N38 | C41 | H41 | 59.0° | 173.8° |
| C37 | N38 | C41 | H41A | 179.2° | 53.8° |
| C41 | N38 | C37 | C36 | 156.3° | 176.8° |
| N38 | C41 | C42 | H41 | 120.0° | 120.0° |
| N38 | C41 | C42 | H41A | 119.9° | 120.0° |
| N38 | C41 | C42 | O43 | 98.6° | 65.0° |
| C41 | N38 | C39 | H39 | 36.3° | 56.8° |
| C41 | N38 | C39 | H39A | 82.0° | 63.2° |
| C41 | N38 | C37 | H37 | 36.3° | 56.8° |
| C41 | N38 | C37 | H37A | 82.1° | 63.2° |
| N38 | C41 | H41 | H41A | 119.9° | 119.9° |
| N38 | C41 | C42 | H42 | 141.4° | 175.0° |
| N38 | C41 | C42 | H42A | 20.7° | 55.0° |
| C36 | C37 | H37 | H37A | 121.7° | 120.0° |
| C37 | C36 | H36 | H36A | 119.2° | 120.0° |
| C41 | C42 | O43 | H42 | 120.0° | 120.1° |
| C41 | C42 | O43 | H42A | 119.3° | 120.0° |
| C42 | C41 | H41 | H41A | 119.8° | 120.0° |
| C41 | C42 | H42 | H42A | 119.3° | 120.0° |
| C41 | C42 | O43 | HO43 | 147.4° | 180.0° |
| O43 | C42 | C41 | H41 | 21.4° | 55.1° |
| O43 | C42 | C41 | H41A | 141.5° | 175.0° |
| O43 | C42 | H42 | H42A | 119.3° | 120.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H32 | C32 | C31 | H31 | 0.5° | 0.0° |
| H31 | C31 | C30 | H30 | 0.6° | 0.1° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
| H27 | C27 | C28 | H28 | 107.7° | 60.0° |
| H27 | C27 | C28 | H28A | 132.3° | NaN° |
| H27 | C27 | C28 | H28B | 12.3° | 59.9° |
| H27A | C27 | C28 | H28 | 11.5° | 60.1° |
| H27A | C27 | C28 | H28A | 108.4° | 59.9° |
| H27A | C27 | C28 | H28B | 131.5° | 180.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H24 | C24 | C23 | H23 | 1.0° | 0.1° |
| H23 | C23 | C22 | H22 | 0.0° | 0.1° |
| H22 | C22 | C21 | H21 | 0.8° | 0.1° |
| H19 | C19 | C18 | H18 | 0.4° | 0.1° |
| H16 | C16 | C15 | H15 | 0.9° | 0.1° |
| H40 | C40 | C39 | H39 | 43.2° | 58.5° |
| H40 | C40 | C39 | H39A | 161.6° | 178.5° |
| H40A | C40 | C39 | H39 | 78.3° | 61.6° |
| H40A | C40 | C39 | H39A | 40.1° | 58.4° |
| H37 | C37 | C36 | H36 | 74.6° | 61.6° |
| H37 | C37 | C36 | H36A | 46.3° | 58.4° |
| H37A | C37 | C36 | H36 | 43.8° | 58.4° |
| H37A | C37 | C36 | H36A | 164.7° | 178.4° |
| H41 | C41 | C42 | H42 | 98.6° | 65.0° |
| H41 | C41 | C42 | H42A | 140.7° | 175.0° |
| H41A | C41 | C42 | H42 | 21.5° | 55.0° |
| H41A | C41 | C42 | H42A | 99.2° | 65.0° |
| H42 | C42 | O43 | HO43 | 92.7° | 60.0° |
| H42A | C42 | O43 | HO43 | 28.0° | 60.0° |
