4FR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C22 | sing | 1.48Å | 1.49Å | Aromatic |
| C28 | C33 | sing | 1.41Å | 1.42Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C17 | sing | 1.51Å | 1.50Å | |
| C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.46Å | 1.48Å | Aromatic |
| C17 | N16 | doub | 1.30Å | 1.34Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | CL | sing | 1.74Å | 1.79Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | N15 | sing | 1.37Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | N8 | sing | 1.39Å | 1.36Å | |
| C9 | N14 | doub | 1.33Å | 1.36Å | Aromatic |
| O40 | C41 | doub | 1.22Å | 1.22Å | |
| C41 | N42 | sing | 1.35Å | 1.33Å | |
| C41 | C50 | sing | 1.47Å | 1.50Å | |
| N42 | C43 | sing | 1.46Å | 1.46Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C46 | N47 | sing | 1.47Å | 1.48Å | |
| N47 | C48 | sing | 1.47Å | 1.47Å | |
| N47 | C49 | sing | 1.47Å | 1.48Å | |
| C49 | C44 | sing | 1.53Å | 1.53Å | |
| C50 | C55 | doub | 1.40Å | 1.40Å | Aromatic |
| C50 | C51 | sing | 1.40Å | 1.39Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.40Å | Aromatic |
| C56 | C57 | doub | 1.39Å | 1.40Å | Aromatic |
| C57 | C52 | sing | 1.40Å | 1.39Å | Aromatic |
| C57 | N8 | sing | 1.39Å | 1.36Å | |
| C52 | O53 | sing | 1.36Å | 1.37Å | |
| C52 | C51 | doub | 1.38Å | 1.40Å | Aromatic |
| O53 | C54 | sing | 1.43Å | 1.43Å | |
| N16 | N15 | sing | 1.40Å | 1.40Å | Aromatic |
| N15 | C18 | sing | 1.40Å | 1.34Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.48Å | 1.51Å | |
| C33 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | O35 | doub | 1.22Å | 1.33Å | |
| C34 | N36 | sing | 1.35Å | 1.21Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N42 | HN42 | sing | 0.97Å | 1.00Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C48 | H48B | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C54 | H54B | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| N36 | HN3A | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C31 | C32 | 118.7° | 120.4° |
| C31 | C30 | C29 | 121.8° | 120.4° |
| C30 | C31 | H31 | 120.7° | 119.8° |
| C31 | C30 | H30 | 119.1° | 119.8° |
| C31 | C32 | C33 | 119.8° | 120.0° |
| C32 | C31 | H31 | 120.6° | 119.8° |
| C31 | C32 | H32 | 120.1° | 120.0° |
| C30 | C29 | C28 | 120.0° | 120.1° |
| C29 | C30 | H30 | 119.1° | 119.8° |
| C30 | C29 | H29 | 120.0° | 120.0° |
| C22 | C28 | C33 | 115.3° | 120.2° |
| C22 | C28 | C29 | 126.5° | 120.2° |
| C28 | C22 | C23 | 120.4° | 120.0° |
| C28 | C22 | C21 | 119.6° | 120.1° |
| C33 | C28 | C29 | 117.6° | 119.6° |
| C28 | C33 | C34 | 122.4° | 120.2° |
| C28 | C33 | C32 | 121.9° | 119.6° |
| C28 | C29 | H29 | 120.0° | 120.0° |
| C26 | C17 | C12 | 117.4° | 126.1° |
| C26 | C17 | N16 | 132.7° | 126.1° |
| C17 | C26 | H26 | 109.5° | 109.5° |
| C17 | C26 | H26A | 109.5° | 109.4° |
| C17 | C26 | H26B | 109.4° | 109.5° |
| C22 | C23 | C18 | 123.1° | 119.8° |
| C23 | C22 | C21 | 119.6° | 119.9° |
| C22 | C23 | H23 | 118.4° | 120.2° |
| C23 | C18 | N15 | 127.2° | 120.0° |
| C23 | C18 | C19 | 114.5° | 120.0° |
| C18 | C23 | H23 | 118.4° | 120.1° |
| C22 | C21 | C20 | 118.9° | 120.0° |
| C22 | C21 | H21 | 120.6° | 120.0° |
| C12 | C17 | N16 | 109.9° | 107.8° |
| C17 | C12 | C13 | 132.0° | 134.7° |
| C17 | C12 | C11 | 106.2° | 106.2° |
| C17 | N16 | N15 | 103.1° | 110.2° |
| C19 | C20 | CL | 119.1° | 119.9° |
| C19 | C20 | C21 | 119.9° | 120.2° |
| C20 | C19 | C18 | 123.9° | 120.2° |
| C20 | C19 | H19 | 118.0° | 119.9° |
| CL | C20 | C21 | 121.0° | 119.9° |
| C20 | C21 | H21 | 120.6° | 120.0° |
| C13 | C12 | C11 | 121.8° | 119.1° |
| C12 | C13 | N14 | 118.8° | 120.3° |
| C12 | C13 | H13 | 120.6° | 119.9° |
| C12 | C11 | C10 | 118.1° | 118.3° |
| C12 | C11 | N15 | 104.7° | 106.8° |
| C13 | N14 | C9 | 121.7° | 122.2° |
| N14 | C13 | H13 | 120.6° | 119.8° |
| C10 | C11 | N15 | 137.1° | 134.9° |
| C11 | C10 | C9 | 119.1° | 118.8° |
| C11 | C10 | H10 | 120.4° | 120.6° |
| C11 | N15 | N16 | 116.0° | 109.1° |
| C11 | N15 | C18 | 126.8° | 125.5° |
| C10 | C9 | N8 | 122.8° | 119.4° |
| C10 | C9 | N14 | 120.5° | 121.3° |
| C9 | C10 | H10 | 120.5° | 120.5° |
| N8 | C9 | N14 | 116.7° | 119.3° |
| C9 | N8 | C57 | 130.2° | 120.0° |
| C9 | N8 | HN8 | 114.9° | 120.0° |
| O40 | C41 | N42 | 122.5° | 120.0° |
| O40 | C41 | C50 | 119.7° | 120.0° |
| N42 | C41 | C50 | 117.8° | 120.0° |
| C41 | N42 | C43 | 123.5° | 120.0° |
| C41 | N42 | HN42 | 118.2° | 120.0° |
| C41 | C50 | C55 | 120.1° | 120.1° |
| C41 | C50 | C51 | 120.3° | 120.0° |
| N42 | C43 | C45 | 102.8° | 109.5° |
| N42 | C43 | C44 | 106.7° | 109.5° |
| C43 | N42 | HN42 | 118.3° | 120.0° |
| N42 | C43 | H43 | 115.5° | 109.6° |
| C45 | C43 | C44 | 109.8° | 109.1° |
| C43 | C45 | C46 | 111.8° | 109.3° |
| C45 | C43 | H43 | 112.6° | 109.5° |
| C43 | C45 | H45 | 108.7° | 109.5° |
| C43 | C45 | H45A | 108.2° | 109.5° |
| C43 | C44 | C49 | 110.6° | 109.3° |
| C44 | C43 | H43 | 109.1° | 109.6° |
| C43 | C44 | H44 | 109.1° | 109.5° |
| C43 | C44 | H44A | 108.9° | 109.5° |
| C45 | C46 | N47 | 111.3° | 109.5° |
| C46 | C45 | H45 | 108.7° | 109.5° |
| C46 | C45 | H45A | 108.2° | 109.5° |
| C45 | C46 | H46 | 108.9° | 109.5° |
| C45 | C46 | H46A | 108.5° | 109.4° |
| C46 | N47 | C48 | 107.7° | 111.0° |
| C46 | N47 | C49 | 112.1° | 111.2° |
| N47 | C46 | H46 | 108.9° | 109.4° |
| N47 | C46 | H46A | 108.5° | 109.4° |
| C48 | N47 | C49 | 109.2° | 111.0° |
| N47 | C48 | H48 | 109.5° | 109.5° |
| N47 | C48 | H48A | 109.5° | 109.5° |
| N47 | C48 | H48B | 109.5° | 109.5° |
| N47 | C49 | C44 | 110.6° | 109.5° |
| N47 | C49 | H49 | 109.1° | 109.5° |
| N47 | C49 | H49A | 108.8° | 109.5° |
| C44 | C49 | H49 | 109.1° | 109.4° |
| C44 | C49 | H49A | 108.8° | 109.4° |
| C49 | C44 | H44 | 109.1° | 109.5° |
| C49 | C44 | H44A | 108.9° | 109.5° |
| C55 | C50 | C51 | 119.6° | 119.9° |
| C50 | C55 | C56 | 119.9° | 120.0° |
| C50 | C55 | H55 | 120.0° | 120.0° |
| C50 | C51 | C52 | 120.1° | 119.9° |
| C50 | C51 | H51 | 119.9° | 120.1° |
| C55 | C56 | C57 | 120.4° | 120.1° |
| C56 | C55 | H55 | 120.0° | 120.0° |
| C55 | C56 | H56 | 119.8° | 119.9° |
| C56 | C57 | C52 | 119.5° | 120.1° |
| C56 | C57 | N8 | 124.7° | 120.0° |
| C57 | C56 | H56 | 119.8° | 120.0° |
| C52 | C57 | N8 | 115.8° | 119.9° |
| C57 | C52 | O53 | 118.8° | 120.0° |
| C57 | C52 | C51 | 120.5° | 120.0° |
| C57 | N8 | HN8 | 114.9° | 120.0° |
| O53 | C52 | C51 | 120.7° | 120.0° |
| C52 | O53 | C54 | 119.9° | 117.0° |
| C52 | C51 | H51 | 119.9° | 120.1° |
| O53 | C54 | H54 | 109.5° | 109.5° |
| O53 | C54 | H54A | 109.5° | 109.4° |
| O53 | C54 | H54B | 109.4° | 109.5° |
| N16 | N15 | C18 | 117.2° | 125.5° |
| N15 | C18 | C19 | 118.3° | 120.0° |
| C18 | C19 | H19 | 118.1° | 119.9° |
| C34 | C33 | C32 | 115.7° | 120.2° |
| C33 | C34 | O35 | 119.4° | 120.0° |
| C33 | C34 | N36 | 119.8° | 120.1° |
| C33 | C32 | H32 | 120.1° | 120.0° |
| O35 | C34 | N36 | 120.8° | 120.0° |
| C34 | N36 | HN36 | 108.3° | 120.0° |
| C34 | N36 | HN3A | 125.8° | 120.0° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H45 | C45 | H45A | 111.3° | 109.6° |
| H46 | C46 | H46A | 110.9° | 109.5° |
| H48 | C48 | H48A | 109.5° | 109.4° |
| H48 | C48 | H48B | 109.5° | 109.5° |
| H48A | C48 | H48B | 109.5° | 109.5° |
| H49 | C49 | H49A | 110.4° | 109.5° |
| H44 | C44 | H44A | 110.3° | 109.5° |
| H54 | C54 | H54A | 109.5° | 109.5° |
| H54 | C54 | H54B | 109.4° | 109.5° |
| H54A | C54 | H54B | 109.5° | 109.5° |
| HN36 | N36 | HN3A | 125.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C31 | C32 | H31 | 180.0° | 179.8° |
| C31 | C30 | C29 | H30 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 2.9° | 0.0° |
| C30 | C31 | C32 | C33 | 0.4° | 0.0° |
| C31 | C30 | C29 | H29 | 177.0° | 180.0° |
| C30 | C31 | C32 | H32 | 179.6° | 180.0° |
| C32 | C31 | C30 | C29 | 0.1° | 0.0° |
| C31 | C32 | C33 | C28 | 2.3° | 0.0° |
| C31 | C32 | C33 | C34 | 179.7° | 179.9° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C32 | C31 | C30 | H30 | 179.9° | 180.0° |
| C30 | C29 | C28 | C22 | 176.6° | 180.0° |
| C30 | C29 | C28 | C33 | 5.4° | 0.0° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C29 | C30 | C31 | H31 | 179.9° | 179.7° |
| C22 | C28 | C33 | C29 | 172.2° | 180.0° |
| C28 | C22 | C23 | C21 | 172.9° | 179.9° |
| C28 | C22 | C23 | C18 | 175.2° | 180.0° |
| C28 | C22 | C21 | C20 | 174.6° | 180.0° |
| C22 | C28 | C33 | C34 | 4.7° | 0.1° |
| C22 | C28 | C33 | C32 | 177.4° | 180.0° |
| C28 | C22 | C23 | H23 | 4.8° | 0.3° |
| C28 | C22 | C21 | H21 | 5.4° | 0.0° |
| C22 | C28 | C29 | H29 | 3.4° | 0.0° |
| C33 | C28 | C22 | C23 | 124.5° | 122.4° |
| C33 | C28 | C22 | C21 | 48.5° | 57.5° |
| C28 | C33 | C34 | C32 | 178.0° | 179.9° |
| C28 | C33 | C34 | O35 | 75.4° | 6.9° |
| C28 | C33 | C34 | N36 | 105.1° | 173.0° |
| C33 | C28 | C29 | H29 | 174.6° | 180.0° |
| C28 | C33 | C32 | H32 | 177.7° | 180.0° |
| C29 | C28 | C22 | C23 | 46.9° | 57.6° |
| C29 | C28 | C22 | C21 | 140.2° | 122.5° |
| C29 | C28 | C33 | C34 | 176.9° | 179.9° |
| C29 | C28 | C33 | C32 | 5.2° | 0.0° |
| C28 | C29 | C30 | H30 | 177.1° | 180.0° |
| C26 | C17 | C12 | N16 | 179.9° | 179.7° |
| C26 | C17 | C12 | C13 | 0.1° | 0.1° |
| C26 | C17 | C12 | C11 | 179.8° | 180.0° |
| C26 | C17 | N16 | N15 | 179.7° | 179.9° |
| C17 | C26 | H26 | H26A | 120.0° | 119.9° |
| C17 | C26 | H26 | H26B | 120.0° | 120.0° |
| C17 | C26 | H26A | H26B | 120.0° | 120.0° |
| C22 | C23 | C18 | H23 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 1.6° | 0.0° |
| C22 | C23 | C18 | N15 | 178.9° | 180.0° |
| C22 | C23 | C18 | C19 | 1.5° | 0.0° |
| C23 | C22 | C21 | H21 | 178.4° | 180.0° |
| C18 | C23 | C22 | C21 | 2.2° | 0.1° |
| C23 | C18 | C19 | C20 | 0.3° | 0.0° |
| C23 | C18 | N15 | C11 | 0.4° | 145.0° |
| C23 | C18 | N15 | N16 | 179.6° | 34.8° |
| C23 | C18 | N15 | C19 | 179.6° | 180.0° |
| C23 | C18 | C19 | H19 | 179.7° | 180.0° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | CL | 178.2° | 180.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 177.8° | 179.7° |
| C17 | C12 | C13 | C11 | 179.9° | 180.0° |
| C17 | C12 | C13 | N14 | 179.9° | 180.0° |
| C17 | C12 | C11 | C10 | 180.0° | 180.0° |
| C17 | C12 | C11 | N15 | 0.0° | 0.0° |
| C12 | C17 | N16 | N15 | 0.2° | 0.5° |
| C12 | C17 | C26 | H26 | 38.1° | 90.1° |
| C12 | C17 | C26 | H26A | 81.9° | 150.0° |
| C12 | C17 | C26 | H26B | 158.1° | 30.0° |
| C17 | C12 | C13 | H13 | 0.1° | 0.0° |
| N16 | C17 | C12 | C13 | 179.9° | 179.7° |
| N16 | C17 | C12 | C11 | 0.1° | 0.3° |
| C17 | N16 | N15 | C11 | 0.2° | 0.4° |
| C17 | N16 | N15 | C18 | 179.8° | 179.8° |
| N16 | C17 | C26 | H26 | 142.0° | 90.3° |
| N16 | C17 | C26 | H26A | 98.0° | 29.6° |
| N16 | C17 | C26 | H26B | 22.0° | 149.6° |
| C19 | C20 | CL | C21 | 178.7° | 180.0° |
| C20 | C19 | C18 | N15 | 179.9° | 180.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 179.5° | 180.0° |
| CL | C20 | C19 | C18 | 178.9° | 180.0° |
| CL | C20 | C19 | H19 | 1.1° | 0.0° |
| CL | C20 | C21 | H21 | 1.8° | 0.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C21 | C20 | C19 | H19 | 179.8° | 180.0° |
| C12 | C13 | N14 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | N15 | 180.0° | 180.0° |
| C12 | C13 | N14 | C9 | 0.2° | 0.1° |
| C11 | C12 | C13 | N14 | 0.0° | 0.0° |
| C12 | C11 | C10 | N15 | 179.9° | 179.9° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C12 | C11 | N15 | N16 | 0.2° | 0.2° |
| C12 | C11 | N15 | C18 | 179.9° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | H10 | 179.9° | 179.9° |
| C13 | N14 | C9 | C10 | 0.1° | 0.1° |
| C13 | N14 | C9 | N8 | 179.9° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | N8 | 180.0° | 180.0° |
| C11 | C10 | C9 | N14 | 0.0° | 0.0° |
| C10 | C11 | N15 | N16 | 179.8° | 179.7° |
| C10 | C11 | N15 | C18 | 0.1° | 0.1° |
| N15 | C11 | C10 | C9 | 180.0° | 180.0° |
| C11 | N15 | N16 | C18 | 180.0° | 179.8° |
| C11 | N15 | C18 | C19 | 180.0° | 35.0° |
| N15 | C11 | C10 | H10 | 0.1° | 0.0° |
| C10 | C9 | N8 | N14 | 180.0° | 179.9° |
| C10 | C9 | N8 | C57 | 0.1° | 172.0° |
| C10 | C9 | N8 | HN8 | 179.9° | 7.9° |
| C9 | N8 | C57 | C56 | 0.1° | 28.8° |
| C9 | N8 | C57 | C52 | 180.0° | 151.2° |
| C9 | N8 | C57 | HN8 | 180.0° | 179.9° |
| N8 | C9 | C10 | H10 | 0.0° | 0.1° |
| N14 | C9 | N8 | C57 | 179.9° | 8.1° |
| C9 | N14 | C13 | H13 | 179.9° | 180.0° |
| N14 | C9 | C10 | H10 | 180.0° | 180.0° |
| N14 | C9 | N8 | HN8 | 0.1° | 172.0° |
| O40 | C41 | N42 | C50 | 179.0° | 180.0° |
| O40 | C41 | N42 | C43 | 1.9° | 0.0° |
| O40 | C41 | C50 | C55 | 133.9° | 180.0° |
| O40 | C41 | C50 | C51 | 46.5° | 0.3° |
| O40 | C41 | N42 | HN42 | 178.1° | 180.0° |
| C41 | N42 | C43 | HN42 | 180.0° | 179.9° |
| C41 | N42 | C43 | C45 | 124.9° | 155.0° |
| C41 | N42 | C43 | C44 | 119.5° | 85.4° |
| N42 | C41 | C50 | C55 | 47.1° | 0.1° |
| N42 | C41 | C50 | C51 | 132.5° | 179.8° |
| C41 | N42 | C43 | H43 | 1.9° | 34.8° |
| C50 | C41 | N42 | C43 | 179.1° | 180.0° |
| C41 | C50 | C55 | C51 | 179.6° | 179.7° |
| C41 | C50 | C55 | C56 | 179.6° | 180.0° |
| C41 | C50 | C51 | C52 | 179.5° | 179.8° |
| C50 | C41 | N42 | HN42 | 0.9° | 0.1° |
| C41 | C50 | C55 | H55 | 0.4° | 0.1° |
| C41 | C50 | C51 | H51 | 0.5° | 0.0° |
| N42 | C43 | C45 | C44 | 113.2° | 119.9° |
| N42 | C43 | C45 | H43 | 124.9° | 120.2° |
| N42 | C43 | C44 | H43 | 125.4° | 120.2° |
| N42 | C43 | C45 | C46 | 166.8° | 177.5° |
| N42 | C43 | C44 | C49 | 165.8° | 177.5° |
| N42 | C43 | C45 | H45 | 73.3° | 62.6° |
| N42 | C43 | C45 | H45A | 47.7° | 57.6° |
| N42 | C43 | C44 | H44 | 45.8° | 57.6° |
| N42 | C43 | C44 | H44A | 74.7° | 62.5° |
| C45 | C43 | C44 | H43 | 123.9° | 119.9° |
| C43 | C45 | C46 | H45 | 120.0° | 119.9° |
| C43 | C45 | C46 | H45A | 119.0° | 119.9° |
| C43 | C45 | C46 | N47 | 54.1° | 59.2° |
| C45 | C43 | C44 | C49 | 55.0° | 57.7° |
| C45 | C43 | N42 | HN42 | 55.1° | 24.9° |
| C43 | C45 | H45 | H45A | 119.1° | 120.2° |
| C43 | C45 | C46 | H46 | 65.9° | 60.8° |
| C43 | C45 | C46 | H46A | 173.4° | 179.2° |
| C45 | C43 | C44 | H44 | 65.0° | 62.3° |
| C45 | C43 | C44 | H44A | 174.6° | 177.6° |
| C44 | C43 | C45 | C46 | 53.5° | 57.7° |
| C43 | C44 | C49 | N47 | 57.7° | 59.2° |
| C43 | C44 | C49 | H44 | 120.0° | 120.0° |
| C43 | C44 | C49 | H44A | 119.5° | 119.9° |
| C44 | C43 | N42 | HN42 | 60.5° | 94.7° |
| C44 | C43 | C45 | H45 | 173.5° | 177.6° |
| C44 | C43 | C45 | H45A | 65.5° | 62.3° |
| C43 | C44 | C49 | H49 | 62.3° | 60.8° |
| C43 | C44 | C49 | H49A | 177.2° | 179.2° |
| C43 | C44 | H44 | H44A | 119.5° | 120.1° |
| C45 | C46 | N47 | H46 | 120.0° | 120.1° |
| C45 | C46 | N47 | H46A | 119.2° | 120.0° |
| C45 | C46 | N47 | C48 | 176.8° | 174.1° |
| C45 | C46 | N47 | C49 | 56.6° | 61.8° |
| C46 | C45 | C43 | H43 | 68.3° | 62.3° |
| C46 | C45 | H45 | H45A | 119.0° | 120.1° |
| C45 | C46 | H46 | H46A | 119.2° | 120.0° |
| C46 | N47 | C48 | C49 | 122.0° | 124.2° |
| C46 | N47 | C49 | C44 | 58.5° | 61.8° |
| N47 | C46 | C45 | H45 | 174.1° | 179.1° |
| N47 | C46 | C45 | H45A | 64.9° | 60.7° |
| N47 | C46 | H46 | H46A | 119.3° | 119.9° |
| C46 | N47 | C48 | H48 | 105.5° | 60.0° |
| C46 | N47 | C48 | H48A | 134.5° | 180.0° |
| C46 | N47 | C48 | H48B | 14.5° | 60.0° |
| C46 | N47 | C49 | H49 | 61.5° | 58.2° |
| C46 | N47 | C49 | H49A | 178.0° | 178.3° |
| C48 | N47 | C49 | C44 | 177.8° | 174.1° |
| C48 | N47 | C46 | H46 | 56.8° | 65.8° |
| C48 | N47 | C46 | H46A | 64.0° | 54.2° |
| N47 | C48 | H48 | H48A | 120.0° | 120.0° |
| N47 | C48 | H48 | H48B | 120.0° | 120.0° |
| N47 | C48 | H48A | H48B | 120.0° | 120.1° |
| C48 | N47 | C49 | H49 | 57.8° | 65.9° |
| C48 | N47 | C49 | H49A | 62.7° | 54.2° |
| N47 | C49 | C44 | H49 | 120.0° | 120.0° |
| N47 | C49 | C44 | H49A | 119.5° | 120.0° |
| C49 | N47 | C46 | H46 | 63.4° | 58.3° |
| C49 | N47 | C46 | H46A | 175.8° | 178.3° |
| C49 | N47 | C48 | H48 | 132.5° | 175.8° |
| C49 | N47 | C48 | H48A | 12.6° | 55.8° |
| C49 | N47 | C48 | H48B | 107.5° | 64.2° |
| N47 | C49 | H49 | H49A | 119.6° | 120.0° |
| N47 | C49 | C44 | H44 | 62.3° | 60.8° |
| N47 | C49 | C44 | H44A | 177.3° | 179.1° |
| C49 | C44 | C43 | H43 | 68.9° | 62.2° |
| C44 | C49 | H49 | H49A | 119.5° | 119.9° |
| C49 | C44 | H44 | H44A | 119.6° | 120.1° |
| C50 | C55 | C56 | H55 | 180.0° | 179.9° |
| C50 | C55 | C56 | C57 | 0.1° | 0.1° |
| C55 | C50 | C51 | C52 | 0.1° | 0.5° |
| C50 | C55 | C56 | H56 | 179.9° | 179.9° |
| C55 | C50 | C51 | H51 | 179.9° | 179.7° |
| C51 | C50 | C55 | C56 | 0.0° | 0.3° |
| C50 | C51 | C52 | C57 | 0.1° | 0.5° |
| C50 | C51 | C52 | O53 | 179.7° | 179.8° |
| C50 | C51 | C52 | H51 | 180.0° | 179.8° |
| C51 | C50 | C55 | H55 | 180.0° | 179.8° |
| C55 | C56 | C57 | H56 | 180.0° | 179.9° |
| C55 | C56 | C57 | C52 | 0.1° | 0.1° |
| C55 | C56 | C57 | N8 | 180.0° | 179.9° |
| C56 | C57 | C52 | N8 | 180.0° | 180.0° |
| C56 | C57 | C52 | O53 | 179.8° | 180.0° |
| C56 | C57 | C52 | C51 | 0.0° | 0.3° |
| C57 | C56 | C55 | H55 | 179.9° | 180.0° |
| C56 | C57 | N8 | HN8 | 179.9° | 151.1° |
| C57 | C52 | O53 | C51 | 179.8° | 179.7° |
| C57 | C52 | O53 | C54 | 87.9° | 180.0° |
| C52 | C57 | C56 | H56 | 179.9° | 180.0° |
| C57 | C52 | C51 | H51 | 179.9° | 179.7° |
| C52 | C57 | N8 | HN8 | 0.0° | 28.9° |
| N8 | C57 | C52 | O53 | 0.3° | 0.0° |
| N8 | C57 | C52 | C51 | 179.9° | 179.7° |
| N8 | C57 | C56 | H56 | 0.0° | 0.0° |
| C52 | O53 | C54 | H54 | 4.7° | 60.0° |
| C52 | O53 | C54 | H54A | 115.4° | 60.0° |
| C52 | O53 | C54 | H54B | 124.6° | 180.0° |
| O53 | C52 | C51 | H51 | 0.3° | 0.0° |
| C51 | C52 | O53 | C54 | 91.9° | 0.3° |
| O53 | C54 | H54 | H54A | 120.0° | 120.0° |
| O53 | C54 | H54 | H54B | 120.0° | 120.0° |
| O53 | C54 | H54A | H54B | 120.0° | 120.0° |
| N16 | N15 | C18 | C19 | 0.0° | 145.3° |
| N15 | C18 | C23 | H23 | 1.1° | 0.3° |
| N15 | C18 | C19 | H19 | 0.1° | 0.0° |
| C19 | C18 | C23 | H23 | 178.5° | 179.7° |
| C33 | C34 | O35 | N36 | 179.5° | 179.9° |
| C33 | C34 | N36 | HN36 | 0.3° | 0.1° |
| C33 | C34 | N36 | HN3A | 179.7° | 180.0° |
| C34 | C33 | C32 | H32 | 0.3° | 0.0° |
| C32 | C33 | C34 | O35 | 106.6° | 173.0° |
| C32 | C33 | C34 | N36 | 72.8° | 7.1° |
| C33 | C32 | C31 | H31 | 179.6° | 179.7° |
| O35 | C34 | N36 | HN36 | 179.7° | 180.0° |
| O35 | C34 | N36 | HN3A | 0.3° | 0.1° |
| C34 | N36 | HN36 | HN3A | 180.0° | 179.9° |
| H31 | C31 | C30 | H30 | 0.2° | 0.2° |
| H31 | C31 | C32 | H32 | 0.4° | 0.2° |
| H30 | C30 | C29 | H29 | 2.9° | 0.1° |
| H26 | C26 | H26A | H26B | 120.0° | 120.1° |
| HN42 | N42 | C43 | H43 | 178.1° | 145.1° |
| H43 | C43 | C45 | H45 | 51.7° | 57.6° |
| H43 | C43 | C45 | H45A | 172.7° | 177.8° |
| H43 | C43 | C44 | H44 | 171.1° | 177.8° |
| H43 | C43 | C44 | H44A | 50.7° | 57.7° |
| H45 | C45 | C46 | H46 | 54.1° | 59.1° |
| H45 | C45 | C46 | H46A | 66.6° | 60.9° |
| H45A | C45 | C46 | H46 | 175.1° | 179.2° |
| H45A | C45 | C46 | H46A | 54.4° | 59.2° |
| H48 | C48 | H48A | H48B | 120.0° | 119.9° |
| H49 | C49 | C44 | H44 | 177.7° | 179.2° |
| H49 | C49 | C44 | H44A | 57.2° | 59.1° |
| H49A | C49 | C44 | H44 | 57.2° | 59.2° |
| H49A | C49 | C44 | H44A | 63.2° | 60.9° |
| H55 | C55 | C56 | H56 | 0.1° | 0.1° |
| H54 | C54 | H54A | H54B | 120.0° | 120.0° |
