8XJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C8 | C11 | sing | 1.53Å | 1.51Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| O40 | C36 | sing | 1.35Å | 1.38Å | Aromatic |
| O40 | C39 | sing | 1.34Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | N13 | sing | 1.46Å | 1.47Å | |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.35Å | |
| O12 | C14 | doub | 1.22Å | 1.23Å | |
| C14 | C16 | sing | 1.48Å | 1.50Å | |
| C34 | C21 | sing | 1.48Å | 1.50Å | |
| C34 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C21 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C39 | C28 | sing | 1.47Å | 1.46Å | |
| C39 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| F22 | C25 | sing | 1.35Å | 1.35Å | |
| C28 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | N7 | sing | 1.32Å | 1.34Å | Aromatic |
| C37 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.48Å | 1.45Å | Aromatic |
| C35 | F1 | sing | 1.35Å | 1.34Å | |
| C19 | C2 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C38 | C31 | sing | 1.47Å | 1.48Å | |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| N7 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | N29 | sing | 1.35Å | 1.33Å | |
| C31 | O30 | doub | 1.22Å | 1.24Å | |
| N29 | C20 | sing | 1.46Å | 1.45Å | |
| C18 | H57 | sing | 1.08Å | 1.08Å | |
| C17 | H44 | sing | 1.08Å | 1.08Å | |
| C15 | H43 | sing | 1.08Å | 1.08Å | |
| C20 | H59 | sing | 1.09Å | 1.10Å | |
| C20 | H45 | sing | 1.09Å | 1.10Å | |
| C20 | H58 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.08Å | 1.08Å | |
| C24 | H60 | sing | 1.08Å | 1.08Å | |
| C27 | H41 | sing | 1.08Å | 1.08Å | |
| C33 | H64 | sing | 1.08Å | 1.08Å | |
| C2 | H46 | sing | 1.09Å | 1.10Å | |
| C2 | H48 | sing | 1.09Å | 1.10Å | |
| C2 | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H49 | sing | 1.08Å | 1.08Å | |
| C5 | H50 | sing | 1.08Å | 1.08Å | |
| C6 | H51 | sing | 1.08Å | 1.08Å | |
| C8 | H52 | sing | 1.09Å | 1.10Å | |
| C8 | H53 | sing | 1.09Å | 1.10Å | |
| C9 | H55 | sing | 1.09Å | 1.10Å | |
| C9 | H54 | sing | 1.09Å | 1.10Å | |
| N13 | H56 | sing | 0.97Å | 1.00Å | |
| C26 | H61 | sing | 1.08Å | 1.08Å | |
| N29 | H62 | sing | 0.97Å | 1.00Å | |
| C32 | H63 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C11 | 60.6° | 60.0° |
| C8 | C9 | C11 | 60.6° | 60.0° |
| C9 | C8 | H52 | 119.9° | 117.5° |
| C9 | C8 | H53 | 119.9° | 117.5° |
| C8 | C9 | H55 | 119.9° | 117.5° |
| C8 | C9 | H54 | 119.9° | 117.5° |
| C8 | C11 | C9 | 58.8° | 60.0° |
| C8 | C11 | N13 | 118.1° | 117.5° |
| C8 | C11 | C10 | 120.2° | 117.5° |
| C11 | C8 | H52 | 119.9° | 117.5° |
| C11 | C8 | H53 | 119.9° | 117.5° |
| C33 | C32 | C36 | 118.4° | 120.2° |
| C32 | C33 | C34 | 120.9° | 120.6° |
| C32 | C33 | H64 | 119.6° | 119.7° |
| C33 | C32 | H63 | 120.8° | 119.9° |
| C32 | C36 | O40 | 126.9° | 132.6° |
| C32 | C36 | C37 | 123.0° | 119.4° |
| C36 | C32 | H63 | 120.8° | 119.9° |
| C9 | C11 | N13 | 119.6° | 117.5° |
| C9 | C11 | C10 | 115.2° | 117.5° |
| C11 | C9 | H55 | 119.9° | 117.5° |
| C11 | C9 | H54 | 119.9° | 117.5° |
| C33 | C34 | C21 | 120.9° | 120.1° |
| C33 | C34 | C35 | 117.9° | 119.8° |
| C34 | C33 | H64 | 119.6° | 119.7° |
| C36 | O40 | C39 | 106.5° | 111.5° |
| O40 | C36 | C37 | 110.1° | 108.0° |
| O40 | C39 | C28 | 114.2° | 125.3° |
| O40 | C39 | C38 | 111.3° | 109.3° |
| C36 | C37 | C35 | 116.1° | 120.4° |
| C36 | C37 | C38 | 106.4° | 105.7° |
| N13 | C11 | C10 | 114.0° | 115.5° |
| C11 | N13 | C14 | 122.4° | 120.0° |
| C11 | N13 | H56 | 118.8° | 120.0° |
| C11 | C10 | N3 | 117.0° | 119.1° |
| C11 | C10 | N7 | 115.9° | 119.1° |
| C23 | C24 | C25 | 118.2° | 120.1° |
| C24 | C23 | C28 | 120.8° | 119.9° |
| C24 | C23 | H42 | 119.6° | 120.0° |
| C23 | C24 | H60 | 120.9° | 119.9° |
| C24 | C25 | F22 | 118.3° | 119.9° |
| C24 | C25 | C26 | 123.2° | 120.3° |
| C25 | C24 | H60 | 120.9° | 119.9° |
| C23 | C28 | C39 | 120.2° | 120.1° |
| C23 | C28 | C27 | 118.7° | 119.7° |
| C28 | C23 | H42 | 119.6° | 120.1° |
| N13 | C14 | O12 | 122.1° | 120.0° |
| N13 | C14 | C16 | 117.3° | 120.0° |
| C14 | N13 | H56 | 118.8° | 120.0° |
| O12 | C14 | C16 | 120.6° | 120.0° |
| C14 | C16 | C15 | 118.7° | 120.0° |
| C14 | C16 | C17 | 122.1° | 120.1° |
| C21 | C34 | C35 | 120.8° | 120.1° |
| C34 | C21 | C15 | 118.3° | 120.0° |
| C34 | C21 | C19 | 122.3° | 120.1° |
| C34 | C35 | C37 | 123.7° | 119.5° |
| C34 | C35 | F1 | 117.3° | 120.2° |
| C21 | C15 | C16 | 121.2° | 119.7° |
| C15 | C21 | C19 | 119.4° | 119.9° |
| C21 | C15 | H43 | 119.4° | 120.1° |
| C15 | C16 | C17 | 119.0° | 119.9° |
| C16 | C15 | H43 | 119.4° | 120.2° |
| C10 | N3 | C4 | 115.1° | 120.8° |
| N3 | C10 | N7 | 127.2° | 121.8° |
| N3 | C4 | C5 | 123.4° | 119.1° |
| N3 | C4 | H49 | 118.3° | 120.5° |
| C21 | C19 | C2 | 122.4° | 119.9° |
| C21 | C19 | C18 | 118.1° | 120.2° |
| C16 | C17 | C18 | 120.3° | 120.1° |
| C16 | C17 | H44 | 119.9° | 119.9° |
| C28 | C39 | C38 | 134.5° | 125.4° |
| C39 | C28 | C27 | 120.9° | 120.1° |
| C39 | C38 | C37 | 105.8° | 105.5° |
| C39 | C38 | C31 | 127.7° | 127.3° |
| F22 | C25 | C26 | 118.4° | 119.8° |
| C28 | C27 | C26 | 120.8° | 119.9° |
| C28 | C27 | H41 | 119.6° | 120.0° |
| C25 | C26 | C27 | 118.1° | 120.1° |
| C25 | C26 | H61 | 120.9° | 120.0° |
| C10 | N7 | C6 | 115.0° | 120.8° |
| C35 | C37 | C38 | 137.2° | 133.9° |
| C37 | C35 | F1 | 119.0° | 120.3° |
| C37 | C38 | C31 | 126.6° | 127.2° |
| C2 | C19 | C18 | 119.4° | 119.9° |
| C19 | C2 | H46 | 109.5° | 109.5° |
| C19 | C2 | H48 | 109.5° | 109.4° |
| C19 | C2 | H47 | 109.5° | 109.5° |
| C19 | C18 | C17 | 121.9° | 120.3° |
| C19 | C18 | H57 | 119.1° | 119.8° |
| C17 | C18 | H57 | 119.0° | 119.9° |
| C18 | C17 | H44 | 119.9° | 120.0° |
| C4 | C5 | C6 | 115.8° | 118.5° |
| C5 | C4 | H49 | 118.3° | 120.5° |
| C4 | C5 | H50 | 122.1° | 120.8° |
| C38 | C31 | N29 | 114.8° | 120.0° |
| C38 | C31 | O30 | 121.3° | 120.0° |
| C26 | C27 | H41 | 119.6° | 120.1° |
| C27 | C26 | H61 | 120.9° | 119.9° |
| N7 | C6 | C5 | 123.5° | 119.1° |
| N7 | C6 | H51 | 118.2° | 120.5° |
| C6 | C5 | H50 | 122.1° | 120.8° |
| C5 | C6 | H51 | 118.3° | 120.5° |
| N29 | C31 | O30 | 123.9° | 119.9° |
| C31 | N29 | C20 | 122.1° | 120.0° |
| C31 | N29 | H62 | 118.9° | 120.0° |
| N29 | C20 | H59 | 109.5° | 109.5° |
| N29 | C20 | H45 | 109.5° | 109.5° |
| N29 | C20 | H58 | 109.5° | 109.5° |
| C20 | N29 | H62 | 118.9° | 120.0° |
| H59 | C20 | H45 | 109.5° | 109.4° |
| H59 | C20 | H58 | 109.4° | 109.5° |
| H45 | C20 | H58 | 109.5° | 109.4° |
| H46 | C2 | H48 | 109.5° | 109.5° |
| H46 | C2 | H47 | 109.4° | 109.5° |
| H48 | C2 | H47 | 109.4° | 109.5° |
| H52 | C8 | H53 | 109.5° | 115.6° |
| H55 | C9 | H54 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C11 | H52 | 109.6° | 107.5° |
| C9 | C8 | C11 | H53 | 109.6° | 107.4° |
| C8 | C9 | C11 | H55 | 109.6° | 107.5° |
| C8 | C9 | C11 | H54 | 109.6° | 107.5° |
| C9 | C8 | C11 | N13 | 109.3° | 107.5° |
| C9 | C8 | C11 | C10 | 102.9° | 107.6° |
| C9 | C8 | H52 | H53 | 144.4° | 145.7° |
| C8 | C9 | H55 | H54 | 144.4° | 145.7° |
| C8 | C11 | N13 | C10 | 149.7° | 145.6° |
| C8 | C11 | N13 | C14 | 83.5° | 77.0° |
| C8 | C11 | C10 | N3 | 18.1° | 153.7° |
| C8 | C11 | C10 | N7 | 161.9° | 26.3° |
| C11 | C8 | H52 | H53 | 144.4° | 145.7° |
| C8 | C11 | N13 | H56 | 96.5° | 103.0° |
| C33 | C32 | C36 | H63 | 180.0° | 180.0° |
| C32 | C33 | C34 | H64 | 180.0° | 180.0° |
| C33 | C32 | C36 | O40 | 176.9° | 180.0° |
| C33 | C32 | C36 | C37 | 0.2° | 0.3° |
| C32 | C33 | C34 | C21 | 170.3° | 180.0° |
| C32 | C33 | C34 | C35 | 2.3° | 0.3° |
| C36 | C32 | C33 | C34 | 1.8° | 0.0° |
| C32 | C36 | O40 | C37 | 177.4° | 179.7° |
| C32 | C36 | O40 | C39 | 176.8° | 179.9° |
| C32 | C36 | C37 | C35 | 1.5° | 0.4° |
| C32 | C36 | C37 | C38 | 176.9° | 180.0° |
| C36 | C32 | C33 | H64 | 178.2° | 180.0° |
| C9 | C11 | N13 | C10 | 142.1° | 145.7° |
| C9 | C11 | N13 | C14 | 151.7° | 145.7° |
| C9 | C11 | C10 | N3 | 49.1° | 137.6° |
| C9 | C11 | C10 | N7 | 130.9° | 42.4° |
| C11 | C9 | H55 | H54 | 144.4° | 145.6° |
| C9 | C11 | N13 | H56 | 28.3° | 34.4° |
| C33 | C34 | C21 | C35 | 172.4° | 179.7° |
| C33 | C34 | C21 | C15 | 57.6° | 65.3° |
| C33 | C34 | C21 | C19 | 122.2° | 114.5° |
| C33 | C34 | C35 | C37 | 0.9° | 0.2° |
| C33 | C34 | C35 | F1 | 179.0° | 179.8° |
| C34 | C33 | C32 | H63 | 178.2° | 180.0° |
| C36 | O40 | C39 | C28 | 177.7° | 179.8° |
| C36 | O40 | C39 | C38 | 0.3° | 0.4° |
| O40 | C36 | C37 | C35 | 176.0° | 179.9° |
| O40 | C36 | C37 | C38 | 0.6° | 0.3° |
| O40 | C36 | C32 | H63 | 3.1° | 0.1° |
| C39 | O40 | C36 | C37 | 0.6° | 0.4° |
| O40 | C39 | C28 | C23 | 25.4° | 0.3° |
| O40 | C39 | C28 | C38 | 177.4° | 179.7° |
| O40 | C39 | C28 | C27 | 148.7° | 179.5° |
| O40 | C39 | C38 | C37 | 0.0° | 0.2° |
| O40 | C39 | C38 | C31 | 179.0° | 179.8° |
| C36 | C37 | C35 | C34 | 1.0° | 0.1° |
| C36 | C37 | C38 | C39 | 0.4° | 0.1° |
| C36 | C37 | C35 | C38 | 173.4° | 179.5° |
| C36 | C37 | C35 | F1 | 177.1° | 179.9° |
| C36 | C37 | C38 | C31 | 178.7° | 180.0° |
| C37 | C36 | C32 | H63 | 179.8° | 179.7° |
| C11 | N13 | C14 | H56 | 180.0° | 179.9° |
| C11 | N13 | C14 | O12 | 9.5° | 4.4° |
| C11 | N13 | C14 | C16 | 169.9° | 175.5° |
| N13 | C11 | C10 | N3 | 167.1° | 8.1° |
| N13 | C11 | C10 | N7 | 12.9° | 171.9° |
| N13 | C11 | C8 | H52 | 0.3° | 145.0° |
| N13 | C11 | C8 | H53 | 141.1° | 0.1° |
| N13 | C11 | C9 | H55 | 143.5° | 0.0° |
| N13 | C11 | C9 | H54 | 2.8° | 145.0° |
| C10 | C11 | N13 | C14 | 66.2° | 68.6° |
| C11 | C10 | N3 | N7 | 179.9° | 180.0° |
| C11 | C10 | N3 | C4 | 179.8° | 180.0° |
| C11 | C10 | N7 | C6 | 179.8° | 180.0° |
| C10 | C11 | C8 | H52 | 147.4° | 0.1° |
| C10 | C11 | C8 | H53 | 6.7° | 145.0° |
| C10 | C11 | C9 | H55 | 1.8° | 145.0° |
| C10 | C11 | C9 | H54 | 138.9° | 0.0° |
| C10 | C11 | N13 | H56 | 113.8° | 111.4° |
| C23 | C24 | C25 | H60 | 180.0° | 180.0° |
| C24 | C23 | C28 | H42 | 180.0° | 179.7° |
| C24 | C23 | C28 | C39 | 171.0° | 179.8° |
| C23 | C24 | C25 | F22 | 177.6° | 180.0° |
| C24 | C23 | C28 | C27 | 3.2° | 0.1° |
| C23 | C24 | C25 | C26 | 0.6° | 0.0° |
| C25 | C24 | C23 | C28 | 2.5° | 0.0° |
| C24 | C25 | F22 | C26 | 178.2° | 180.0° |
| C24 | C25 | C26 | C27 | 2.9° | 0.0° |
| C25 | C24 | C23 | H42 | 177.4° | 179.7° |
| C24 | C25 | C26 | H61 | 177.1° | 179.9° |
| C23 | C28 | C39 | C27 | 174.1° | 179.8° |
| C23 | C28 | C39 | C38 | 157.2° | 180.0° |
| C23 | C28 | C27 | C26 | 0.8° | 0.1° |
| C28 | C23 | C24 | H60 | 177.4° | 180.0° |
| C23 | C28 | C27 | H41 | 179.2° | 180.0° |
| N13 | C14 | O12 | C16 | 179.4° | 179.9° |
| N13 | C14 | C16 | C15 | 150.6° | 180.0° |
| N13 | C14 | C16 | C17 | 24.0° | 0.0° |
| O12 | C14 | C16 | C15 | 30.0° | 0.0° |
| O12 | C14 | C16 | C17 | 155.4° | 180.0° |
| O12 | C14 | N13 | H56 | 170.5° | 175.5° |
| C14 | C16 | C15 | C21 | 170.7° | 180.0° |
| C14 | C16 | C15 | C17 | 174.8° | 180.0° |
| C14 | C16 | C17 | C18 | 170.5° | 180.0° |
| C14 | C16 | C17 | H44 | 9.5° | 0.0° |
| C14 | C16 | C15 | H43 | 9.3° | 0.3° |
| C16 | C14 | N13 | H56 | 10.1° | 4.6° |
| C34 | C21 | C15 | C19 | 179.9° | 179.8° |
| C34 | C21 | C15 | C16 | 178.9° | 180.0° |
| C21 | C34 | C35 | C37 | 171.7° | 180.0° |
| C21 | C34 | C35 | F1 | 6.4° | 0.0° |
| C34 | C21 | C19 | C2 | 5.7° | 0.0° |
| C34 | C21 | C19 | C18 | 177.9° | 179.7° |
| C34 | C21 | C15 | H43 | 1.1° | 0.2° |
| C21 | C34 | C33 | H64 | 9.7° | 0.0° |
| C35 | C34 | C21 | C15 | 114.7° | 115.0° |
| C35 | C34 | C21 | C19 | 65.4° | 65.2° |
| C34 | C35 | C37 | F1 | 178.0° | 180.0° |
| C34 | C35 | C37 | C38 | 174.4° | 179.6° |
| C35 | C34 | C33 | H64 | 177.7° | 179.7° |
| C21 | C15 | C16 | H43 | 180.0° | 179.7° |
| C21 | C15 | C16 | C17 | 4.1° | 0.0° |
| C15 | C21 | C19 | C2 | 174.2° | 179.7° |
| C15 | C21 | C19 | C18 | 2.2° | 0.5° |
| C16 | C15 | C21 | C19 | 1.0° | 0.3° |
| C15 | C16 | C17 | C18 | 4.1° | 0.0° |
| C15 | C16 | C17 | H44 | 176.0° | 180.0° |
| C10 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | C10 | N7 | C6 | 0.3° | 0.0° |
| C10 | N3 | C4 | H49 | 179.9° | 180.0° |
| C4 | N3 | C10 | N7 | 0.2° | 0.0° |
| N3 | C4 | C5 | H49 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | C5 | H50 | 180.0° | 180.0° |
| C21 | C19 | C2 | C18 | 176.3° | 179.7° |
| C21 | C19 | C18 | C17 | 2.2° | 0.5° |
| C21 | C19 | C18 | H57 | 177.8° | 179.7° |
| C19 | C21 | C15 | H43 | 179.0° | 180.0° |
| C21 | C19 | C2 | H46 | 91.9° | 89.7° |
| C21 | C19 | C2 | H48 | 148.0° | 30.3° |
| C21 | C19 | C2 | H47 | 28.1° | 150.3° |
| C16 | C17 | C18 | C19 | 0.9° | 0.3° |
| C16 | C17 | C18 | H44 | 180.0° | 180.0° |
| C16 | C17 | C18 | H57 | 179.1° | 180.0° |
| C17 | C16 | C15 | H43 | 175.9° | 179.7° |
| C28 | C39 | C38 | C37 | 177.5° | 180.0° |
| C28 | C39 | C38 | C31 | 1.6° | 0.0° |
| C39 | C28 | C27 | C26 | 173.4° | 179.7° |
| C39 | C28 | C23 | H42 | 9.0° | 0.1° |
| C39 | C28 | C27 | H41 | 6.6° | 0.2° |
| C38 | C39 | C28 | C27 | 28.7° | 0.2° |
| C39 | C38 | C37 | C35 | 174.2° | 179.6° |
| C39 | C38 | C37 | C31 | 179.1° | 180.0° |
| C39 | C38 | C31 | N29 | 71.1° | 90.0° |
| C39 | C38 | C31 | O30 | 107.6° | 90.0° |
| F22 | C25 | C26 | C27 | 175.2° | 180.0° |
| F22 | C25 | C24 | H60 | 2.4° | 0.1° |
| F22 | C25 | C26 | H61 | 4.8° | 0.1° |
| C28 | C27 | C26 | C25 | 2.1° | 0.1° |
| C28 | C27 | C26 | H41 | 180.0° | 179.9° |
| C27 | C28 | C23 | H42 | 176.8° | 179.7° |
| C28 | C27 | C26 | H61 | 177.8° | 180.0° |
| C25 | C26 | C27 | H61 | 180.0° | 179.9° |
| C26 | C25 | C24 | H60 | 179.4° | 180.0° |
| C25 | C26 | C27 | H41 | 177.9° | 180.0° |
| C10 | N7 | C6 | C5 | 0.2° | 0.0° |
| C10 | N7 | C6 | H51 | 179.8° | 180.0° |
| C35 | C37 | C38 | C31 | 4.9° | 0.4° |
| C38 | C37 | C35 | F1 | 3.6° | 0.4° |
| C37 | C38 | C31 | N29 | 110.0° | 89.9° |
| C37 | C38 | C31 | O30 | 71.3° | 90.0° |
| C2 | C19 | C18 | C17 | 174.3° | 179.7° |
| C2 | C19 | C18 | H57 | 5.7° | 0.0° |
| C19 | C2 | H46 | H48 | 120.0° | 119.9° |
| C19 | C2 | H46 | H47 | 120.0° | 120.0° |
| C19 | C2 | H48 | H47 | 120.0° | 120.0° |
| C19 | C18 | C17 | H57 | 180.0° | 179.8° |
| C19 | C18 | C17 | H44 | 179.1° | 179.7° |
| C18 | C19 | C2 | H46 | 91.7° | 90.0° |
| C18 | C19 | C2 | H48 | 28.3° | 150.0° |
| C18 | C19 | C2 | H47 | 148.3° | 30.0° |
| C4 | C5 | C6 | N7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H50 | 180.0° | 180.0° |
| C4 | C5 | C6 | H51 | 179.9° | 179.9° |
| C38 | C31 | N29 | O30 | 178.6° | 180.0° |
| C38 | C31 | N29 | C20 | 166.0° | 180.0° |
| C38 | C31 | N29 | H62 | 14.0° | 0.1° |
| N7 | C6 | C5 | H51 | 180.0° | 180.0° |
| N7 | C6 | C5 | H50 | 179.9° | 180.0° |
| C6 | C5 | C4 | H49 | 180.0° | 180.0° |
| C31 | N29 | C20 | H62 | 180.0° | 179.9° |
| C31 | N29 | C20 | H59 | 180.0° | 60.0° |
| C31 | N29 | C20 | H45 | 60.0° | 59.9° |
| C31 | N29 | C20 | H58 | 60.0° | 179.9° |
| O30 | C31 | N29 | C20 | 12.6° | 0.1° |
| O30 | C31 | N29 | H62 | 167.3° | 180.0° |
| N29 | C20 | H59 | H45 | 120.0° | 120.0° |
| N29 | C20 | H59 | H58 | 120.0° | 120.0° |
| N29 | C20 | H45 | H58 | 120.0° | 120.0° |
| H57 | C18 | C17 | H44 | 0.9° | 0.0° |
| H59 | C20 | H45 | H58 | 120.0° | 119.9° |
| H59 | C20 | N29 | H62 | 0.0° | 120.0° |
| H45 | C20 | N29 | H62 | 120.0° | 120.0° |
| H58 | C20 | N29 | H62 | 120.0° | 0.0° |
| H42 | C23 | C24 | H60 | 2.6° | 0.3° |
| H41 | C27 | C26 | H61 | 2.1° | 0.1° |
| H64 | C33 | C32 | H63 | 1.8° | 0.0° |
| H46 | C2 | H48 | H47 | 120.0° | 120.1° |
| H49 | C4 | C5 | H50 | 0.0° | 0.0° |
| H50 | C5 | C6 | H51 | 0.1° | 0.0° |
| H52 | C8 | C9 | H55 | 140.8° | 145.1° |
| H52 | C8 | C9 | H54 | 0.0° | 0.0° |
| H53 | C8 | C9 | H55 | 0.0° | 0.0° |
| H53 | C8 | C9 | H54 | 140.8° | 145.1° |
