SPU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C21 | sing | 1.53Å | 1.54Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C29 | sing | 1.53Å | 1.50Å | |
| C29 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C35 | sing | 1.53Å | 1.51Å | |
| C35 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C41 | sing | 1.51Å | 1.49Å | |
| C41 | C43 | doub | 1.31Å | 1.33Å | |
| C43 | C45 | sing | 1.51Å | 1.51Å | |
| C45 | O47 | sing | 1.43Å | 1.41Å | |
| C45 | C49 | sing | 1.53Å | 1.53Å | |
| C49 | N51 | sing | 1.47Å | 1.46Å | |
| C49 | C54 | sing | 1.53Å | 1.52Å | |
| C54 | O57 | sing | 1.43Å | 1.42Å | |
| O57 | P58 | sing | 1.61Å | 1.58Å | |
| P58 | O59 | sing | 1.61Å | 1.53Å | |
| P58 | O60 | doub | 1.48Å | 1.52Å | |
| P58 | O61 | sing | 1.61Å | 1.62Å | |
| O61 | C62 | sing | 1.43Å | 1.44Å | |
| C62 | C65 | sing | 1.53Å | 1.54Å | |
| C65 | N68 | sing | 1.47Å | 1.47Å | |
| N68 | C70 | sing | 1.47Å | 1.46Å | |
| N68 | C74 | sing | 1.47Å | 1.48Å | |
| N68 | C78 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C231 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| O47 | HO47 | sing | 0.97Å | 0.95Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| N51 | HN51 | sing | 1.01Å | 1.00Å | |
| N51 | HN5A | sing | 1.01Å | 1.00Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| O59 | H59 | sing | 0.97Å | 0.95Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H62A | sing | 1.09Å | 1.10Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| C65 | H65A | sing | 1.09Å | 1.10Å | |
| C70 | H70 | sing | 1.09Å | 1.10Å | |
| C70 | H70A | sing | 1.09Å | 1.10Å | |
| C70 | H70B | sing | 1.09Å | 1.10Å | |
| C74 | H74 | sing | 1.09Å | 1.10Å | |
| C74 | H74A | sing | 1.09Å | 1.10Å | |
| C74 | H74B | sing | 1.09Å | 1.10Å | |
| C78 | H78 | sing | 1.09Å | 1.10Å | |
| C78 | H78A | sing | 1.09Å | 1.10Å | |
| C78 | H78B | sing | 1.09Å | 1.10Å | |
| C21 | H44 | sing | 1.09Å | 1.10Å | |
| C21 | H451 | sing | 1.09Å | 1.10Å | |
| C22 | H46 | sing | 1.09Å | 1.10Å | |
| C22 | H47 | sing | 1.09Å | 1.10Å | |
| C231 | H48 | sing | 1.09Å | 1.10Å | |
| C231 | H491 | sing | 1.09Å | 1.10Å | |
| C231 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C11 | C21 | 109.5° | 109.5° |
| C11 | C14 | C17 | 112.5° | 109.5° |
| C14 | C11 | H11 | 109.4° | 109.5° |
| C14 | C11 | H11A | 109.4° | 109.5° |
| C11 | C14 | H14 | 108.5° | 109.5° |
| C11 | C14 | H14A | 108.5° | 109.5° |
| C11 | C21 | C22 | 100.2° | 109.5° |
| C21 | C11 | H11 | 109.5° | 109.4° |
| C21 | C11 | H11A | 109.5° | 109.5° |
| C11 | C21 | H44 | 112.7° | 109.5° |
| C11 | C21 | H451 | 112.7° | 109.5° |
| C14 | C17 | C20 | 109.8° | 109.5° |
| C17 | C14 | H14 | 108.5° | 109.4° |
| C17 | C14 | H14A | 108.5° | 109.4° |
| C14 | C17 | H17 | 109.4° | 109.4° |
| C14 | C17 | H17A | 109.4° | 109.5° |
| C17 | C20 | C23 | 114.4° | 109.5° |
| C20 | C17 | H17 | 109.4° | 109.5° |
| C20 | C17 | H17A | 109.4° | 109.5° |
| C17 | C20 | H20 | 107.8° | 109.5° |
| C17 | C20 | H20A | 107.8° | 109.5° |
| C20 | C23 | C26 | 110.2° | 109.5° |
| C23 | C20 | H20 | 107.8° | 109.5° |
| C23 | C20 | H20A | 107.9° | 109.4° |
| C20 | C23 | H23 | 109.2° | 109.5° |
| C20 | C23 | H23A | 109.2° | 109.5° |
| C23 | C26 | C29 | 112.3° | 109.5° |
| C26 | C23 | H23 | 109.2° | 109.5° |
| C26 | C23 | H23A | 109.2° | 109.4° |
| C23 | C26 | H26 | 108.5° | 109.5° |
| C23 | C26 | H26A | 108.5° | 109.5° |
| C26 | C29 | C32 | 111.5° | 109.5° |
| C29 | C26 | H26 | 108.6° | 109.5° |
| C29 | C26 | H26A | 108.6° | 109.4° |
| C26 | C29 | H29 | 108.8° | 109.5° |
| C26 | C29 | H29A | 108.8° | 109.5° |
| C29 | C32 | C35 | 110.2° | 109.5° |
| C32 | C29 | H29 | 108.8° | 109.5° |
| C32 | C29 | H29A | 108.8° | 109.5° |
| C29 | C32 | H32 | 109.2° | 109.5° |
| C29 | C32 | H32A | 109.3° | 109.4° |
| C32 | C35 | C38 | 108.3° | 109.5° |
| C35 | C32 | H32 | 109.2° | 109.5° |
| C35 | C32 | H32A | 109.2° | 109.5° |
| C32 | C35 | H35 | 109.9° | 109.5° |
| C32 | C35 | H35A | 109.8° | 109.5° |
| C35 | C38 | C41 | 108.4° | 109.5° |
| C38 | C35 | H35 | 109.8° | 109.5° |
| C38 | C35 | H35A | 109.9° | 109.5° |
| C35 | C38 | H38 | 109.9° | 109.4° |
| C35 | C38 | H38A | 109.8° | 109.5° |
| C38 | C41 | C43 | 122.2° | 120.0° |
| C41 | C38 | H38 | 109.8° | 109.5° |
| C41 | C38 | H38A | 109.9° | 109.5° |
| C38 | C41 | H41 | 118.9° | 119.9° |
| C41 | C43 | C45 | 117.9° | 120.0° |
| C43 | C41 | H41 | 118.9° | 120.1° |
| C41 | C43 | H43 | 121.1° | 120.0° |
| C43 | C45 | O47 | 106.4° | 109.4° |
| C43 | C45 | C49 | 110.1° | 109.4° |
| C45 | C43 | H43 | 121.0° | 120.0° |
| C43 | C45 | H45 | 110.5° | 109.5° |
| O47 | C45 | C49 | 107.9° | 109.5° |
| O47 | C45 | H45 | 112.7° | 109.5° |
| C45 | O47 | HO47 | 109.5° | 114.0° |
| C45 | C49 | N51 | 109.7° | 109.5° |
| C45 | C49 | C54 | 115.6° | 109.5° |
| C49 | C45 | H45 | 109.1° | 109.5° |
| C45 | C49 | H49 | 104.0° | 109.5° |
| N51 | C49 | C54 | 106.1° | 109.5° |
| N51 | C49 | H49 | 113.9° | 109.5° |
| C49 | N51 | HN51 | 109.5° | 111.0° |
| C49 | N51 | HN5A | 109.5° | 111.0° |
| C49 | C54 | O57 | 104.5° | 109.5° |
| C54 | C49 | H49 | 107.7° | 109.4° |
| C49 | C54 | H54 | 111.2° | 109.4° |
| C49 | C54 | H54A | 111.2° | 109.5° |
| C54 | O57 | P58 | 119.7° | 123.0° |
| O57 | C54 | H54 | 111.2° | 109.4° |
| O57 | C54 | H54A | 111.2° | 109.5° |
| O57 | P58 | O59 | 106.5° | 109.5° |
| O57 | P58 | O60 | 104.6° | 109.5° |
| O57 | P58 | O61 | 106.5° | 109.5° |
| O59 | P58 | O60 | 122.6° | 109.4° |
| O59 | P58 | O61 | 107.0° | 109.5° |
| P58 | O59 | H59 | 109.5° | 114.0° |
| O60 | P58 | O61 | 108.6° | 109.5° |
| P58 | O61 | C62 | 119.8° | 123.0° |
| O61 | C62 | C65 | 110.6° | 109.5° |
| O61 | C62 | H62 | 109.1° | 109.4° |
| O61 | C62 | H62A | 109.1° | 109.4° |
| C62 | C65 | N68 | 113.5° | 109.5° |
| C65 | C62 | H62 | 109.1° | 109.5° |
| C65 | C62 | H62A | 109.1° | 109.5° |
| C62 | C65 | H65 | 108.1° | 109.5° |
| C62 | C65 | H65A | 108.1° | 109.5° |
| C65 | N68 | C70 | 109.3° | 109.5° |
| C65 | N68 | C74 | 111.0° | 109.5° |
| C65 | N68 | C78 | 110.5° | 109.5° |
| N68 | C65 | H65 | 108.1° | 109.4° |
| N68 | C65 | H65A | 108.1° | 109.5° |
| C70 | N68 | C74 | 109.1° | 109.5° |
| C70 | N68 | C78 | 106.1° | 109.5° |
| N68 | C70 | H70 | 109.5° | 109.5° |
| N68 | C70 | H70A | 109.5° | 109.5° |
| N68 | C70 | H70B | 109.4° | 109.5° |
| C74 | N68 | C78 | 110.7° | 109.4° |
| N68 | C74 | H74 | 109.5° | 109.5° |
| N68 | C74 | H74A | 109.4° | 109.5° |
| N68 | C74 | H74B | 109.5° | 109.5° |
| N68 | C78 | H78 | 109.5° | 109.4° |
| N68 | C78 | H78A | 109.4° | 109.5° |
| N68 | C78 | H78B | 109.5° | 109.5° |
| C21 | C22 | C231 | 90.0° | 109.5° |
| C22 | C21 | H44 | 112.7° | 109.4° |
| C22 | C21 | H451 | 112.7° | 109.5° |
| C21 | C22 | H46 | 116.6° | 109.5° |
| C21 | C22 | H47 | 116.6° | 109.5° |
| C231 | C22 | H46 | 116.6° | 109.4° |
| C231 | C22 | H47 | 116.6° | 109.5° |
| C22 | C231 | H48 | 109.5° | 109.5° |
| C22 | C231 | H491 | 109.5° | 109.5° |
| C22 | C231 | H50 | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H14 | C14 | H14A | 110.4° | 109.5° |
| H17 | C17 | H17A | 109.6° | 109.5° |
| H20 | C20 | H20A | 111.1° | 109.4° |
| H23 | C23 | H23A | 109.7° | 109.4° |
| H26 | C26 | H26A | 110.3° | 109.4° |
| H29 | C29 | H29A | 110.1° | 109.4° |
| H32 | C32 | H32A | 109.7° | 109.4° |
| H35 | C35 | H35A | 109.1° | 109.4° |
| H38 | C38 | H38A | 109.1° | 109.5° |
| HN51 | N51 | HN5A | 109.5° | 111.0° |
| H54 | C54 | H54A | 107.7° | 109.4° |
| H62 | C62 | H62A | 109.9° | 109.5° |
| H65 | C65 | H65A | 110.8° | 109.5° |
| H70 | C70 | H70A | 109.4° | 109.5° |
| H70 | C70 | H70B | 109.5° | 109.5° |
| H70A | C70 | H70B | 109.5° | 109.5° |
| H74 | C74 | H74A | 109.5° | 109.5° |
| H74 | C74 | H74B | 109.5° | 109.5° |
| H74A | C74 | H74B | 109.5° | 109.5° |
| H78 | C78 | H78A | 109.5° | 109.4° |
| H78 | C78 | H78B | 109.4° | 109.5° |
| H78A | C78 | H78B | 109.5° | 109.5° |
| H44 | C21 | H451 | 106.0° | 109.4° |
| H46 | C22 | H47 | 101.5° | 109.4° |
| H48 | C231 | H491 | 109.5° | 109.4° |
| H48 | C231 | H50 | 109.5° | 109.5° |
| H491 | C231 | H50 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C11 | C21 | H11 | 120.0° | 120.0° |
| C14 | C11 | C21 | H11A | 120.0° | 120.0° |
| C11 | C14 | C17 | H14 | 120.0° | 120.0° |
| C11 | C14 | C17 | H14A | 120.0° | 120.0° |
| C11 | C14 | C17 | C20 | 107.1° | 180.0° |
| C14 | C11 | C21 | C22 | 140.9° | 180.0° |
| C14 | C11 | H11 | H11A | 119.9° | 120.0° |
| C11 | C14 | H14 | H14A | 118.7° | 120.0° |
| C11 | C14 | C17 | H17 | 132.9° | 60.0° |
| C11 | C14 | C17 | H17A | 12.9° | 60.0° |
| C14 | C11 | C21 | H44 | 20.9° | 60.0° |
| C14 | C11 | C21 | H451 | 99.1° | 60.0° |
| C21 | C11 | C14 | C17 | 180.0° | 180.0° |
| C11 | C21 | C22 | H44 | 120.0° | 120.0° |
| C11 | C21 | C22 | H451 | 120.0° | 120.0° |
| C11 | C21 | C22 | C231 | 170.8° | 180.0° |
| C21 | C11 | H11 | H11A | 120.0° | 120.0° |
| C21 | C11 | C14 | H14 | 60.0° | 60.0° |
| C21 | C11 | C14 | H14A | 60.0° | 60.0° |
| C11 | C21 | H44 | H451 | 123.8° | 120.0° |
| C11 | C21 | C22 | H46 | 50.8° | 60.0° |
| C11 | C21 | C22 | H47 | 69.1° | 60.0° |
| C14 | C17 | C20 | H17 | 120.0° | 120.0° |
| C14 | C17 | C20 | H17A | 120.0° | 120.0° |
| C14 | C17 | C20 | C23 | 134.9° | 180.0° |
| C17 | C14 | C11 | H11 | 60.0° | 60.0° |
| C17 | C14 | C11 | H11A | 60.0° | 60.0° |
| C17 | C14 | H14 | H14A | 118.7° | 119.9° |
| C14 | C17 | H17 | H17A | 119.9° | 120.0° |
| C14 | C17 | C20 | H20 | 105.1° | 60.0° |
| C14 | C17 | C20 | H20A | 14.9° | 60.0° |
| C17 | C20 | C23 | H20 | 120.0° | 120.0° |
| C17 | C20 | C23 | H20A | 120.0° | 120.0° |
| C17 | C20 | C23 | C26 | 161.0° | 180.0° |
| C20 | C17 | C14 | H14 | 12.9° | 60.0° |
| C20 | C17 | C14 | H14A | 132.9° | 60.0° |
| C20 | C17 | H17 | H17A | 119.8° | 120.0° |
| C17 | C20 | H20 | H20A | 117.9° | 120.0° |
| C17 | C20 | C23 | H23 | 79.0° | 60.0° |
| C17 | C20 | C23 | H23A | 41.0° | 60.0° |
| C20 | C23 | C26 | H23 | 120.0° | 120.0° |
| C20 | C23 | C26 | H23A | 120.0° | 120.0° |
| C20 | C23 | C26 | C29 | 166.6° | 180.0° |
| C23 | C20 | C17 | H17 | 14.9° | 60.0° |
| C23 | C20 | C17 | H17A | 105.1° | 60.0° |
| C23 | C20 | H20 | H20A | 118.0° | 120.0° |
| C20 | C23 | H23 | H23A | 119.7° | 120.0° |
| C20 | C23 | C26 | H26 | 46.5° | 60.0° |
| C20 | C23 | C26 | H26A | 73.4° | 60.0° |
| C23 | C26 | C29 | H26 | 120.0° | 120.1° |
| C23 | C26 | C29 | H26A | 120.0° | 120.0° |
| C23 | C26 | C29 | C32 | 163.1° | 180.0° |
| C26 | C23 | C20 | H20 | 41.1° | 59.9° |
| C26 | C23 | C20 | H20A | 79.0° | 60.0° |
| C26 | C23 | H23 | H23A | 119.7° | 120.0° |
| C23 | C26 | H26 | H26A | 118.8° | 120.0° |
| C23 | C26 | C29 | H29 | 43.1° | 59.9° |
| C23 | C26 | C29 | H29A | 76.9° | 60.0° |
| C26 | C29 | C32 | H29 | 120.0° | 120.0° |
| C26 | C29 | C32 | H29A | 120.0° | 120.0° |
| C26 | C29 | C32 | C35 | 151.8° | 180.0° |
| C29 | C26 | C23 | H23 | 73.4° | 60.0° |
| C29 | C26 | C23 | H23A | 46.6° | 60.0° |
| C29 | C26 | H26 | H26A | 118.9° | 120.0° |
| C26 | C29 | H29 | H29A | 119.2° | 120.0° |
| C26 | C29 | C32 | H32 | 88.2° | 60.0° |
| C26 | C29 | C32 | H32A | 31.8° | 60.0° |
| C29 | C32 | C35 | H32 | 120.0° | 120.0° |
| C29 | C32 | C35 | H32A | 120.0° | 120.0° |
| C29 | C32 | C35 | C38 | 65.5° | 180.0° |
| C32 | C29 | C26 | H26 | 76.9° | 60.0° |
| C32 | C29 | C26 | H26A | 43.1° | 60.0° |
| C32 | C29 | H29 | H29A | 119.2° | 120.0° |
| C29 | C32 | H32 | H32A | 119.7° | 119.9° |
| C29 | C32 | C35 | H35 | 54.5° | 60.0° |
| C29 | C32 | C35 | H35A | 174.5° | 60.0° |
| C32 | C35 | C38 | H35 | 120.0° | 120.0° |
| C32 | C35 | C38 | H35A | 120.0° | 120.0° |
| C32 | C35 | C38 | C41 | 127.6° | 180.0° |
| C35 | C32 | C29 | H29 | 31.8° | 60.0° |
| C35 | C32 | C29 | H29A | 88.1° | 60.0° |
| C35 | C32 | H32 | H32A | 119.7° | 120.0° |
| C32 | C35 | H35 | H35A | 120.5° | 120.0° |
| C32 | C35 | C38 | H38 | 7.6° | 60.0° |
| C32 | C35 | C38 | H38A | 112.4° | 60.0° |
| C35 | C38 | C41 | H38 | 120.0° | 119.9° |
| C35 | C38 | C41 | H38A | 120.0° | 120.1° |
| C35 | C38 | C41 | C43 | 137.4° | 124.9° |
| C38 | C35 | C32 | H32 | 174.5° | 60.0° |
| C38 | C35 | C32 | H32A | 54.5° | 60.0° |
| C38 | C35 | H35 | H35A | 120.5° | 120.0° |
| C35 | C38 | H38 | H38A | 120.4° | 120.0° |
| C35 | C38 | C41 | H41 | 42.6° | 55.0° |
| C38 | C41 | C43 | H41 | 180.0° | 180.0° |
| C38 | C41 | C43 | C45 | 179.3° | 180.0° |
| C41 | C38 | C35 | H35 | 112.4° | 60.0° |
| C41 | C38 | C35 | H35A | 7.6° | 60.0° |
| C41 | C38 | H38 | H38A | 120.5° | 120.0° |
| C38 | C41 | C43 | H43 | 0.7° | 0.0° |
| C41 | C43 | C45 | H43 | 180.0° | 179.9° |
| C41 | C43 | C45 | O47 | 171.3° | 5.0° |
| C41 | C43 | C45 | C49 | 54.6° | 125.0° |
| C43 | C41 | C38 | H38 | 102.6° | 5.0° |
| C43 | C41 | C38 | H38A | 17.4° | 115.0° |
| C41 | C43 | C45 | H45 | 66.0° | 115.0° |
| C43 | C45 | O47 | C49 | 118.2° | 119.9° |
| C43 | C45 | O47 | H45 | 121.3° | 120.0° |
| C43 | C45 | C49 | H45 | 121.5° | 120.0° |
| C43 | C45 | C49 | N51 | 18.8° | 60.0° |
| C43 | C45 | C49 | C54 | 101.1° | 179.9° |
| C45 | C43 | C41 | H41 | 0.8° | 0.1° |
| C43 | C45 | O47 | HO47 | 180.0° | 60.0° |
| C43 | C45 | C49 | H49 | 141.0° | 60.0° |
| O47 | C45 | C49 | H45 | 122.7° | 120.0° |
| O47 | C45 | C49 | N51 | 96.9° | 180.0° |
| O47 | C45 | C49 | C54 | 143.1° | 60.0° |
| O47 | C45 | C43 | H43 | 8.7° | 175.0° |
| O47 | C45 | C49 | H49 | 25.3° | 59.9° |
| C45 | C49 | N51 | C54 | 125.6° | 120.0° |
| C45 | C49 | N51 | H49 | 116.1° | 120.1° |
| C45 | C49 | C54 | H49 | 115.8° | 120.0° |
| C45 | C49 | C54 | O57 | 146.5° | 175.0° |
| C49 | C45 | C43 | H43 | 125.4° | 55.0° |
| C49 | C45 | O47 | HO47 | 61.8° | 60.0° |
| C45 | C49 | N51 | HN51 | 180.0° | 59.9° |
| C45 | C49 | N51 | HN5A | 60.0° | 176.1° |
| C45 | C49 | C54 | H54 | 26.6° | 65.0° |
| C45 | C49 | C54 | H54A | 93.4° | 54.9° |
| N51 | C49 | C54 | H49 | 122.3° | 120.0° |
| N51 | C49 | C54 | O57 | 24.7° | 64.9° |
| N51 | C49 | C45 | H45 | 140.4° | 60.0° |
| C49 | N51 | HN51 | HN5A | 120.0° | 124.0° |
| N51 | C49 | C54 | H54 | 95.3° | 55.0° |
| N51 | C49 | C54 | H54A | 144.7° | 175.0° |
| C49 | C54 | O57 | H54 | 120.0° | 120.0° |
| C49 | C54 | O57 | H54A | 120.0° | 120.1° |
| C49 | C54 | O57 | P58 | 173.9° | 180.0° |
| C54 | C49 | C45 | H45 | 20.4° | 60.0° |
| C54 | C49 | N51 | HN51 | 54.4° | 60.1° |
| C54 | C49 | N51 | HN5A | 174.4° | 63.9° |
| C49 | C54 | H54 | H54A | 122.0° | 120.0° |
| C54 | O57 | P58 | O59 | 84.8° | 65.1° |
| C54 | O57 | P58 | O60 | 46.4° | 54.9° |
| C54 | O57 | P58 | O61 | 161.2° | 175.0° |
| O57 | C54 | C49 | H49 | 97.6° | 55.1° |
| O57 | C54 | H54 | H54A | 122.0° | 120.0° |
| O57 | P58 | O59 | O60 | 120.1° | 120.0° |
| O57 | P58 | O59 | O61 | 113.6° | 120.0° |
| O57 | P58 | O60 | O61 | 113.4° | 120.1° |
| O57 | P58 | O61 | C62 | 173.8° | 175.0° |
| P58 | O57 | C54 | H54 | 53.9° | 60.0° |
| P58 | O57 | C54 | H54A | 66.1° | 59.9° |
| O57 | P58 | O59 | H59 | 120.1° | 60.0° |
| O59 | P58 | O60 | O61 | 125.6° | 120.0° |
| O59 | P58 | O61 | C62 | 72.6° | 65.0° |
| O60 | P58 | O61 | C62 | 61.6° | 55.0° |
| O60 | P58 | O59 | H59 | 0.0° | 180.0° |
| P58 | O61 | C62 | C65 | 148.5° | 180.0° |
| O61 | P58 | O59 | H59 | 126.2° | 60.0° |
| P58 | O61 | C62 | H62 | 91.5° | 60.0° |
| P58 | O61 | C62 | H62A | 28.5° | 60.0° |
| O61 | C62 | C65 | H62 | 120.0° | 119.9° |
| O61 | C62 | C65 | H62A | 120.0° | 119.9° |
| O61 | C62 | C65 | N68 | 89.1° | 66.5° |
| O61 | C62 | H62 | H62A | 119.5° | 120.0° |
| O61 | C62 | C65 | H65 | 30.9° | 173.5° |
| O61 | C62 | C65 | H65A | 150.9° | 53.5° |
| C62 | C65 | N68 | H65 | 120.0° | 120.0° |
| C62 | C65 | N68 | H65A | 120.0° | 120.1° |
| C62 | C65 | N68 | C70 | 43.6° | 54.4° |
| C62 | C65 | N68 | C74 | 164.0° | 174.4° |
| C62 | C65 | N68 | C78 | 72.8° | 65.6° |
| C65 | C62 | H62 | H62A | 119.6° | 120.1° |
| C62 | C65 | H65 | H65A | 118.3° | 120.0° |
| C65 | N68 | C70 | C74 | 121.5° | 120.0° |
| C65 | N68 | C70 | C78 | 119.2° | 120.0° |
| C65 | N68 | C74 | C78 | 123.1° | 120.0° |
| N68 | C65 | C62 | H62 | 150.9° | 53.4° |
| N68 | C65 | C62 | H62A | 30.9° | 173.5° |
| N68 | C65 | H65 | H65A | 118.4° | 120.0° |
| C65 | N68 | C70 | H70 | 180.0° | 60.0° |
| C65 | N68 | C70 | H70A | 60.0° | 180.0° |
| C65 | N68 | C70 | H70B | 60.0° | 60.0° |
| C65 | N68 | C74 | H74 | 180.0° | 60.0° |
| C65 | N68 | C74 | H74A | 60.0° | 180.0° |
| C65 | N68 | C74 | H74B | 60.0° | 60.0° |
| C65 | N68 | C78 | H78 | 180.0° | 71.1° |
| C65 | N68 | C78 | H78A | 60.0° | 169.0° |
| C65 | N68 | C78 | H78B | 60.0° | 48.9° |
| C70 | N68 | C74 | C78 | 116.4° | 120.0° |
| C70 | N68 | C65 | H65 | 76.4° | 65.6° |
| C70 | N68 | C65 | H65A | 163.6° | 174.5° |
| N68 | C70 | H70 | H70A | 120.0° | 120.0° |
| N68 | C70 | H70 | H70B | 120.0° | 120.0° |
| N68 | C70 | H70A | H70B | 120.0° | 120.0° |
| C70 | N68 | C74 | H74 | 59.5° | 180.0° |
| C70 | N68 | C74 | H74A | 60.4° | 60.0° |
| C70 | N68 | C74 | H74B | 179.5° | 60.0° |
| C70 | N68 | C78 | H78 | 61.6° | 49.0° |
| C70 | N68 | C78 | H78A | 178.4° | 71.0° |
| C70 | N68 | C78 | H78B | 58.4° | 168.9° |
| C74 | N68 | C65 | H65 | 44.0° | 54.5° |
| C74 | N68 | C65 | H65A | 76.1° | 65.5° |
| C74 | N68 | C70 | H70 | 58.5° | 60.0° |
| C74 | N68 | C70 | H70A | 178.5° | 60.0° |
| C74 | N68 | C70 | H70B | 61.5° | 180.0° |
| N68 | C74 | H74 | H74A | 120.0° | 120.0° |
| N68 | C74 | H74 | H74B | 120.0° | 120.0° |
| N68 | C74 | H74A | H74B | 120.0° | 120.0° |
| C74 | N68 | C78 | H78 | 56.6° | 169.0° |
| C74 | N68 | C78 | H78A | 63.4° | 49.0° |
| C74 | N68 | C78 | H78B | 176.6° | 71.1° |
| C78 | N68 | C65 | H65 | 167.2° | 174.4° |
| C78 | N68 | C65 | H65A | 47.1° | 54.4° |
| C78 | N68 | C70 | H70 | 60.8° | 180.0° |
| C78 | N68 | C70 | H70A | 59.2° | 60.0° |
| C78 | N68 | C70 | H70B | 179.2° | 60.0° |
| C78 | N68 | C74 | H74 | 56.9° | 60.0° |
| C78 | N68 | C74 | H74A | 176.9° | 60.0° |
| C78 | N68 | C74 | H74B | 63.1° | 180.0° |
| N68 | C78 | H78 | H78A | 120.0° | 120.0° |
| N68 | C78 | H78 | H78B | 120.0° | 120.0° |
| N68 | C78 | H78A | H78B | 120.0° | 120.0° |
| C21 | C22 | C231 | H46 | 120.0° | 120.0° |
| C21 | C22 | C231 | H47 | 120.0° | 120.1° |
| C22 | C21 | C11 | H11 | 99.1° | 60.0° |
| C22 | C21 | C11 | H11A | 20.9° | 59.9° |
| C22 | C21 | H44 | H451 | 123.7° | 120.0° |
| C21 | C22 | H46 | H47 | 127.8° | 120.0° |
| C21 | C22 | C231 | H48 | 180.0° | 60.0° |
| C21 | C22 | C231 | H491 | 60.0° | 59.9° |
| C21 | C22 | C231 | H50 | 60.0° | 179.9° |
| C231 | C22 | C21 | H44 | 69.1° | 60.0° |
| C231 | C22 | C21 | H451 | 50.8° | 60.0° |
| C231 | C22 | H46 | H47 | 127.8° | 120.0° |
| C22 | C231 | H48 | H491 | 120.0° | 120.0° |
| C22 | C231 | H48 | H50 | 120.0° | 120.0° |
| C22 | C231 | H491 | H50 | 120.0° | 120.0° |
| H11 | C11 | C14 | H14 | 60.0° | 60.0° |
| H11 | C11 | C14 | H14A | 180.0° | 180.0° |
| H11 | C11 | C21 | H44 | 140.9° | 180.0° |
| H11 | C11 | C21 | H451 | 20.9° | 60.0° |
| H11A | C11 | C14 | H14 | 180.0° | 180.0° |
| H11A | C11 | C14 | H14A | 60.0° | 60.0° |
| H11A | C11 | C21 | H44 | 99.1° | 60.0° |
| H11A | C11 | C21 | H451 | 140.9° | 180.0° |
| H14 | C14 | C17 | H17 | 107.1° | 180.0° |
| H14 | C14 | C17 | H17A | 132.9° | 60.0° |
| H14A | C14 | C17 | H17 | 12.9° | 60.1° |
| H14A | C14 | C17 | H17A | 107.1° | 180.0° |
| H17 | C17 | C20 | H20 | 134.8° | 180.0° |
| H17 | C17 | C20 | H20A | 105.2° | 60.0° |
| H17A | C17 | C20 | H20 | 14.9° | 60.0° |
| H17A | C17 | C20 | H20A | 134.9° | 180.0° |
| H20 | C20 | C23 | H23 | 161.1° | 180.0° |
| H20 | C20 | C23 | H23A | 78.9° | 60.0° |
| H20A | C20 | C23 | H23 | 41.0° | 60.0° |
| H20A | C20 | C23 | H23A | 161.0° | 180.0° |
| H23 | C23 | C26 | H26 | 166.5° | 180.0° |
| H23 | C23 | C26 | H26A | 46.6° | 60.0° |
| H23A | C23 | C26 | H26 | 73.5° | 60.0° |
| H23A | C23 | C26 | H26A | 166.6° | 180.0° |
| H26 | C26 | C29 | H29 | 163.1° | 180.0° |
| H26 | C26 | C29 | H29A | 43.1° | 60.0° |
| H26A | C26 | C29 | H29 | 76.9° | 60.0° |
| H26A | C26 | C29 | H29A | 163.1° | 180.0° |
| H29 | C29 | C32 | H32 | 151.8° | 180.0° |
| H29 | C29 | C32 | H32A | 88.2° | 60.1° |
| H29A | C29 | C32 | H32 | 31.9° | 60.0° |
| H29A | C29 | C32 | H32A | 151.9° | 180.0° |
| H32 | C32 | C35 | H35 | 65.5° | 180.0° |
| H32 | C32 | C35 | H35A | 54.5° | 60.0° |
| H32A | C32 | C35 | H35 | 174.5° | 60.0° |
| H32A | C32 | C35 | H35A | 65.5° | 180.0° |
| H35 | C35 | C38 | H38 | 127.6° | 180.0° |
| H35 | C35 | C38 | H38A | 7.6° | 60.0° |
| H35A | C35 | C38 | H38 | 112.4° | 60.0° |
| H35A | C35 | C38 | H38A | 127.6° | 180.0° |
| H38 | C38 | C41 | H41 | 77.4° | 175.0° |
| H38A | C38 | C41 | H41 | 162.6° | 65.0° |
| H41 | C41 | C43 | H43 | 179.2° | 180.0° |
| H43 | C43 | C45 | H45 | 113.9° | 65.0° |
| H45 | C45 | O47 | HO47 | 58.7° | 180.0° |
| H45 | C45 | C49 | H49 | 97.5° | 180.0° |
| H49 | C49 | N51 | HN51 | 63.9° | 180.0° |
| H49 | C49 | N51 | HN5A | 56.1° | 56.0° |
| H49 | C49 | C54 | H54 | 142.4° | 175.0° |
| H49 | C49 | C54 | H54A | 22.4° | 65.0° |
| H62 | C62 | C65 | H65 | 89.1° | 66.5° |
| H62 | C62 | C65 | H65A | 30.9° | 173.5° |
| H62A | C62 | C65 | H65 | 150.9° | 53.6° |
| H62A | C62 | C65 | H65A | 89.1° | 66.4° |
| H70 | C70 | H70A | H70B | 120.0° | 120.0° |
| H74 | C74 | H74A | H74B | 120.0° | 120.0° |
| H78 | C78 | H78A | H78B | 120.0° | 120.0° |
| H44 | C21 | C22 | H46 | 170.9° | 180.0° |
| H44 | C21 | C22 | H47 | 50.9° | 60.0° |
| H451 | C21 | C22 | H46 | 69.2° | 60.0° |
| H451 | C21 | C22 | H47 | 170.8° | 180.0° |
| H46 | C22 | C231 | H48 | 60.0° | 180.0° |
| H46 | C22 | C231 | H491 | 180.0° | 60.0° |
| H46 | C22 | C231 | H50 | 60.0° | 60.0° |
| H47 | C22 | C231 | H48 | 60.0° | 60.0° |
| H47 | C22 | C231 | H491 | 60.0° | 180.0° |
| H47 | C22 | C231 | H50 | 180.0° | 60.0° |
| H48 | C231 | H491 | H50 | 120.0° | 120.0° |
