UDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.35Å | 1.42Å | |
| N1 | C11 | sing | 1.46Å | 1.46Å | |
| N1 | C6 | sing | 1.37Å | 1.34Å | |
| O2 | C2 | doub | 1.22Å | 1.37Å | |
| N3 | C2 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| O4 | C4 | doub | 1.22Å | 1.36Å | |
| C4 | C5 | sing | 1.42Å | 1.39Å | |
| C5 | C6 | doub | 1.35Å | 1.39Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O15 | PA | sing | 1.61Å | 1.62Å | |
| O3A | PA | sing | 1.61Å | 1.63Å | |
| PA | O2A | doub | 1.48Å | 1.52Å | |
| PA | O1A | sing | 1.61Å | 1.52Å | |
| O2B | PB | doub | 1.48Å | 1.52Å | |
| O3B | PB | sing | 1.61Å | 1.62Å | |
| O3A | PB | sing | 1.61Å | 1.63Å | |
| PB | O1B | sing | 1.61Å | 1.52Å | |
| O5' | C1' | sing | 1.43Å | 1.43Å | |
| O3B | C1' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C11 | O14 | sing | 1.44Å | 1.44Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C11 | H1'A | sing | 1.09Å | 1.10Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C3' | C2' | sing | 1.53Å | 1.52Å | |
| C2' | N34 | sing | 1.47Å | 1.45Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C12 | H2'A | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.53Å | 1.52Å | |
| O51 | C3' | sing | 1.45Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.54Å | 1.52Å | |
| O3' | C13 | sing | 1.43Å | 1.44Å | |
| C13 | H3'A | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| N34 | C35 | sing | 1.35Å | 1.32Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å | |
| C35 | O36 | doub | 1.21Å | 1.22Å | |
| C35 | C37 | sing | 1.51Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | O50 | sing | 1.43Å | 1.43Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| O4' | C4' | sing | 1.43Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | HO4' | sing | 0.97Å | 0.95Å | |
| O14 | C14 | sing | 1.44Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H4'A | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.51Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C49 | H49B | sing | 1.09Å | 1.10Å | |
| C6' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C15 | O15 | sing | 1.43Å | 1.43Å | |
| C15 | H5'A | sing | 1.09Å | 1.10Å | |
| C15 | H5AA | sing | 1.09Å | 1.10Å | |
| O50 | HO50 | sing | 0.97Å | 0.95Å | |
| O51 | C52 | sing | 1.34Å | 1.45Å | |
| O53 | C52 | doub | 1.21Å | 1.22Å | |
| C52 | C54 | sing | 1.51Å | 1.51Å | |
| C54 | C55 | sing | 1.53Å | 1.53Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| C55 | O67 | sing | 1.43Å | 1.44Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C57 | H57A | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C60 | C59 | sing | 1.53Å | 1.53Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| C6' | O6' | sing | 1.43Å | 1.43Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C6' | H6'A | sing | 1.09Å | 1.10Å | |
| O6' | HO6' | sing | 0.97Å | 0.95Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C60 | H60A | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.53Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H61A | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.53Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H62A | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.53Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C64 | H64 | sing | 1.09Å | 1.10Å | |
| C64 | H64A | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.53Å | 1.52Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| C65 | H65A | sing | 1.09Å | 1.10Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H66A | sing | 1.09Å | 1.10Å | |
| C66 | H66B | sing | 1.09Å | 1.10Å | |
| O67 | HO67 | sing | 0.97Å | 0.95Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C11 | 120.5° | 119.7° |
| C2 | N1 | C6 | 120.2° | 120.6° |
| N1 | C2 | O2 | 120.3° | 119.5° |
| N1 | C2 | N3 | 119.6° | 121.0° |
| C11 | N1 | C6 | 119.3° | 119.7° |
| N1 | C11 | O14 | 110.7° | 110.4° |
| N1 | C11 | C12 | 113.4° | 110.4° |
| N1 | C11 | H1'A | 108.9° | 110.3° |
| N1 | C6 | C5 | 119.7° | 119.7° |
| N1 | C6 | H6 | 120.1° | 120.2° |
| O2 | C2 | N3 | 120.1° | 119.5° |
| C2 | N3 | C4 | 120.5° | 120.2° |
| C2 | N3 | HN3 | 119.8° | 119.8° |
| N3 | C4 | O4 | 119.5° | 120.3° |
| N3 | C4 | C5 | 120.2° | 119.4° |
| C4 | N3 | HN3 | 119.7° | 119.9° |
| O4 | C4 | C5 | 120.3° | 120.3° |
| C4 | C5 | C6 | 119.7° | 119.1° |
| C4 | C5 | H5 | 120.2° | 120.4° |
| C6 | C5 | H5 | 120.1° | 120.5° |
| C5 | C6 | H6 | 120.1° | 120.2° |
| O15 | PA | O3A | 104.6° | 109.5° |
| O15 | PA | O2A | 105.4° | 109.5° |
| O15 | PA | O1A | 106.9° | 109.5° |
| PA | O15 | C15 | 120.7° | 123.0° |
| O3A | PA | O2A | 106.7° | 109.5° |
| O3A | PA | O1A | 110.9° | 109.5° |
| PA | O3A | PB | 127.0° | 134.0° |
| O2A | PA | O1A | 121.1° | 109.5° |
| PA | O1A | HO1A | 109.5° | 114.0° |
| O2B | PB | O3B | 113.6° | 109.5° |
| O2B | PB | O3A | 108.0° | 109.5° |
| O2B | PB | O1B | 119.2° | 109.5° |
| O3B | PB | O3A | 95.2° | 109.5° |
| O3B | PB | O1B | 105.2° | 109.5° |
| PB | O3B | C1' | 117.6° | 123.0° |
| O3A | PB | O1B | 113.1° | 109.5° |
| PB | O1B | HO1B | 109.5° | 114.0° |
| O5' | C1' | O3B | 108.8° | 109.5° |
| O5' | C1' | C2' | 108.5° | 109.4° |
| O5' | C1' | H1' | 108.8° | 109.5° |
| C1' | O5' | C5' | 113.2° | 114.1° |
| O3B | C1' | C2' | 114.2° | 109.5° |
| O3B | C1' | H1' | 108.8° | 109.4° |
| C2' | C1' | H1' | 107.6° | 109.5° |
| C1' | C2' | C3' | 108.1° | 109.2° |
| C1' | C2' | N34 | 113.4° | 109.5° |
| C1' | C2' | H2' | 107.7° | 109.5° |
| O14 | C11 | C12 | 106.2° | 104.9° |
| O14 | C11 | H1'A | 109.3° | 110.4° |
| C11 | O14 | C14 | 110.3° | 105.3° |
| C12 | C11 | H1'A | 108.2° | 110.5° |
| C11 | C12 | O2' | 110.8° | 110.5° |
| C11 | C12 | C13 | 102.2° | 104.0° |
| C11 | C12 | H2'A | 109.8° | 110.5° |
| C3' | C2' | N34 | 110.8° | 109.5° |
| C3' | C2' | H2' | 107.9° | 109.6° |
| C2' | C3' | C4' | 108.9° | 109.0° |
| C2' | C3' | O51 | 112.6° | 109.5° |
| C2' | C3' | H3' | 109.8° | 109.6° |
| N34 | C2' | H2' | 108.8° | 109.5° |
| C2' | N34 | C35 | 122.0° | 120.0° |
| C2' | N34 | HN34 | 119.0° | 120.0° |
| O2' | C12 | C13 | 113.0° | 110.5° |
| O2' | C12 | H2'A | 111.0° | 110.6° |
| C12 | O2' | HO2' | 109.5° | 114.0° |
| C13 | C12 | H2'A | 109.8° | 110.5° |
| C12 | C13 | C14 | 104.0° | 104.1° |
| C12 | C13 | O3' | 110.6° | 110.5° |
| C12 | C13 | H3'A | 110.5° | 110.5° |
| C4' | C3' | O51 | 104.5° | 109.6° |
| C4' | C3' | H3' | 109.8° | 109.5° |
| C3' | C4' | O4' | 105.1° | 109.5° |
| C3' | C4' | C5' | 113.7° | 109.1° |
| C3' | C4' | H4' | 109.3° | 109.5° |
| O51 | C3' | H3' | 111.1° | 109.6° |
| C3' | O51 | C52 | 116.3° | 117.0° |
| C14 | C13 | O3' | 109.3° | 110.6° |
| C14 | C13 | H3'A | 110.4° | 110.5° |
| C13 | C14 | O14 | 106.3° | 104.8° |
| C13 | C14 | C15 | 112.6° | 110.4° |
| C13 | C14 | H4'A | 109.0° | 110.3° |
| O3' | C13 | H3'A | 111.8° | 110.4° |
| C13 | O3' | HO3' | 109.5° | 114.0° |
| C35 | N34 | HN34 | 119.0° | 120.0° |
| N34 | C35 | O36 | 123.4° | 120.0° |
| N34 | C35 | C37 | 116.1° | 120.0° |
| O36 | C35 | C37 | 120.6° | 120.0° |
| C35 | C37 | C38 | 107.4° | 109.5° |
| C35 | C37 | H37 | 110.0° | 109.5° |
| C35 | C37 | H37A | 110.0° | 109.5° |
| C38 | C37 | H37 | 110.0° | 109.5° |
| C38 | C37 | H37A | 110.0° | 109.4° |
| C37 | C38 | C39 | 108.3° | 109.5° |
| C37 | C38 | O50 | 109.7° | 109.5° |
| C37 | C38 | H38 | 109.1° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| C39 | C38 | O50 | 110.1° | 109.5° |
| C39 | C38 | H38 | 109.1° | 109.5° |
| C38 | C39 | C40 | 110.9° | 109.5° |
| C38 | C39 | H39 | 109.1° | 109.4° |
| C38 | C39 | H39A | 109.1° | 109.5° |
| O50 | C38 | H38 | 110.4° | 109.5° |
| C38 | O50 | HO50 | 109.5° | 114.0° |
| C40 | C39 | H39 | 109.1° | 109.5° |
| C40 | C39 | H39A | 109.1° | 109.5° |
| C39 | C40 | C41 | 112.9° | 109.5° |
| C39 | C40 | H40 | 108.6° | 109.5° |
| C39 | C40 | H40A | 108.6° | 109.5° |
| H39 | C39 | H39A | 109.4° | 109.5° |
| O4' | C4' | C5' | 109.1° | 109.5° |
| O4' | C4' | H4' | 110.6° | 109.6° |
| C4' | O4' | HO4' | 109.5° | 113.9° |
| C5' | C4' | H4' | 109.1° | 109.6° |
| C4' | C5' | C6' | 111.0° | 109.4° |
| C4' | C5' | O5' | 113.5° | 109.4° |
| C4' | C5' | H5' | 106.9° | 109.5° |
| O14 | C14 | C15 | 109.6° | 110.4° |
| O14 | C14 | H4'A | 110.3° | 110.4° |
| C15 | C14 | H4'A | 109.0° | 110.3° |
| C14 | C15 | O15 | 111.3° | 109.5° |
| C14 | C15 | H5'A | 109.0° | 109.5° |
| C14 | C15 | H5AA | 109.0° | 109.4° |
| C41 | C40 | H40 | 108.6° | 109.5° |
| C41 | C40 | H40A | 108.6° | 109.5° |
| C40 | C41 | C42 | 111.1° | 109.5° |
| C40 | C41 | H41 | 109.0° | 109.5° |
| C40 | C41 | H41A | 109.1° | 109.5° |
| H40 | C40 | H40A | 109.5° | 109.4° |
| C42 | C41 | H41 | 109.1° | 109.5° |
| C42 | C41 | H41A | 109.1° | 109.4° |
| C41 | C42 | C43 | 110.5° | 109.5° |
| C41 | C42 | H42 | 109.2° | 109.5° |
| C41 | C42 | H42A | 109.2° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.4° |
| C43 | C42 | H42 | 109.2° | 109.5° |
| C43 | C42 | H42A | 109.2° | 109.4° |
| C42 | C43 | C44 | 112.1° | 109.5° |
| C42 | C43 | H43 | 108.8° | 109.5° |
| C42 | C43 | H43A | 108.8° | 109.4° |
| H42 | C42 | H42A | 109.5° | 109.5° |
| C44 | C43 | H43 | 108.8° | 109.5° |
| C44 | C43 | H43A | 108.8° | 109.5° |
| C43 | C44 | C45 | 108.0° | 109.5° |
| C43 | C44 | H44 | 109.8° | 109.5° |
| C43 | C44 | H44A | 109.8° | 109.4° |
| H43 | C43 | H43A | 109.5° | 109.4° |
| C45 | C44 | H44 | 109.8° | 109.5° |
| C45 | C44 | H44A | 109.8° | 109.5° |
| C44 | C45 | C46 | 113.0° | 109.5° |
| C44 | C45 | H45 | 108.6° | 109.5° |
| C44 | C45 | H45A | 108.6° | 109.5° |
| H44 | C44 | H44A | 109.5° | 109.4° |
| C46 | C45 | H45 | 108.6° | 109.5° |
| C46 | C45 | H45A | 108.6° | 109.4° |
| C45 | C46 | C47 | 110.6° | 109.5° |
| C45 | C46 | H46 | 109.2° | 109.5° |
| C45 | C46 | H46A | 109.2° | 109.4° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| C47 | C46 | H46 | 109.2° | 109.5° |
| C47 | C46 | H46A | 109.2° | 109.5° |
| C46 | C47 | C48 | 111.1° | 109.5° |
| C46 | C47 | H47 | 109.0° | 109.5° |
| C46 | C47 | H47A | 109.1° | 109.5° |
| H46 | C46 | H46A | 109.5° | 109.4° |
| C48 | C47 | H47 | 109.1° | 109.5° |
| C48 | C47 | H47A | 109.1° | 109.5° |
| C47 | C48 | C49 | 110.0° | 109.5° |
| C47 | C48 | H48 | 109.3° | 109.5° |
| C47 | C48 | H48A | 109.3° | 109.5° |
| H47 | C47 | H47A | 109.5° | 109.4° |
| C49 | C48 | H48 | 109.4° | 109.5° |
| C49 | C48 | H48A | 109.4° | 109.5° |
| C48 | C49 | H49 | 109.5° | 109.5° |
| C48 | C49 | H49A | 109.5° | 109.5° |
| C48 | C49 | H49B | 109.4° | 109.5° |
| H48 | C48 | H48A | 109.4° | 109.4° |
| H49 | C49 | H49A | 109.5° | 109.4° |
| H49 | C49 | H49B | 109.5° | 109.4° |
| H49A | C49 | H49B | 109.5° | 109.5° |
| C6' | C5' | O5' | 110.3° | 109.5° |
| C6' | C5' | H5' | 106.8° | 109.5° |
| C5' | C6' | O6' | 110.0° | 109.5° |
| C5' | C6' | H6' | 109.4° | 109.5° |
| C5' | C6' | H6'A | 109.3° | 109.5° |
| O5' | C5' | H5' | 108.0° | 109.5° |
| O15 | C15 | H5'A | 109.0° | 109.4° |
| O15 | C15 | H5AA | 109.0° | 109.5° |
| H5'A | C15 | H5AA | 109.4° | 109.5° |
| O51 | C52 | O53 | 121.4° | 120.0° |
| O51 | C52 | C54 | 117.0° | 120.0° |
| O53 | C52 | C54 | 121.6° | 120.0° |
| C52 | C54 | C55 | 108.0° | 109.5° |
| C52 | C54 | H54 | 109.8° | 109.4° |
| C52 | C54 | H54A | 109.8° | 109.5° |
| C55 | C54 | H54 | 109.9° | 109.4° |
| C55 | C54 | H54A | 109.8° | 109.5° |
| C54 | C55 | C56 | 109.6° | 109.5° |
| C54 | C55 | O67 | 109.2° | 109.4° |
| C54 | C55 | H55 | 108.7° | 109.5° |
| H54 | C54 | H54A | 109.5° | 109.5° |
| C56 | C55 | O67 | 110.7° | 109.5° |
| C56 | C55 | H55 | 108.7° | 109.5° |
| C55 | C56 | C57 | 112.0° | 109.5° |
| C55 | C56 | H56 | 108.8° | 109.5° |
| C55 | C56 | H56A | 108.9° | 109.5° |
| O67 | C55 | H55 | 110.0° | 109.5° |
| C55 | O67 | HO67 | 109.5° | 114.0° |
| C57 | C56 | H56 | 108.8° | 109.5° |
| C57 | C56 | H56A | 108.8° | 109.5° |
| C56 | C57 | C58 | 112.3° | 109.5° |
| C56 | C57 | H57 | 108.7° | 109.4° |
| C56 | C57 | H57A | 108.8° | 109.5° |
| H56 | C56 | H56A | 109.4° | 109.4° |
| C58 | C57 | H57 | 108.8° | 109.4° |
| C58 | C57 | H57A | 108.7° | 109.5° |
| C57 | C58 | C59 | 111.1° | 109.5° |
| C57 | C58 | H58 | 109.1° | 109.5° |
| C57 | C58 | H58A | 109.1° | 109.5° |
| H57 | C57 | H57A | 109.5° | 109.5° |
| C59 | C58 | H58 | 109.0° | 109.5° |
| C59 | C58 | H58A | 109.0° | 109.5° |
| C58 | C59 | C60 | 111.8° | 109.5° |
| C58 | C59 | H59 | 108.9° | 109.4° |
| C58 | C59 | H59A | 108.9° | 109.5° |
| H58 | C58 | H58A | 109.5° | 109.4° |
| C60 | C59 | H59 | 108.9° | 109.5° |
| C60 | C59 | H59A | 108.9° | 109.5° |
| C59 | C60 | C61 | 111.7° | 109.5° |
| C59 | C60 | H60 | 108.9° | 109.5° |
| C59 | C60 | H60A | 108.9° | 109.5° |
| H59 | C59 | H59A | 109.5° | 109.5° |
| O6' | C6' | H6' | 109.3° | 109.4° |
| O6' | C6' | H6'A | 109.3° | 109.4° |
| C6' | O6' | HO6' | 109.5° | 114.0° |
| H6' | C6' | H6'A | 109.5° | 109.4° |
| C61 | C60 | H60 | 108.9° | 109.5° |
| C61 | C60 | H60A | 108.9° | 109.5° |
| C60 | C61 | C62 | 114.5° | 109.5° |
| C60 | C61 | H61 | 108.2° | 109.5° |
| C60 | C61 | H61A | 108.2° | 109.5° |
| H60 | C60 | H60A | 109.5° | 109.4° |
| C62 | C61 | H61 | 108.2° | 109.5° |
| C62 | C61 | H61A | 108.2° | 109.4° |
| C61 | C62 | C63 | 111.4° | 109.4° |
| C61 | C62 | H62 | 109.0° | 109.5° |
| C61 | C62 | H62A | 109.0° | 109.4° |
| H61 | C61 | H61A | 109.5° | 109.5° |
| C63 | C62 | H62 | 109.0° | 109.5° |
| C63 | C62 | H62A | 109.0° | 109.5° |
| C62 | C63 | C64 | 112.5° | 109.5° |
| C62 | C63 | H63 | 108.7° | 109.5° |
| C62 | C63 | H63A | 108.7° | 109.5° |
| H62 | C62 | H62A | 109.5° | 109.5° |
| C64 | C63 | H63 | 108.7° | 109.5° |
| C64 | C63 | H63A | 108.7° | 109.4° |
| C63 | C64 | C65 | 112.0° | 109.5° |
| C63 | C64 | H64 | 108.9° | 109.5° |
| C63 | C64 | H64A | 108.8° | 109.4° |
| H63 | C63 | H63A | 109.5° | 109.5° |
| C65 | C64 | H64 | 108.8° | 109.5° |
| C65 | C64 | H64A | 108.8° | 109.5° |
| C64 | C65 | C66 | 111.5° | 109.5° |
| C64 | C65 | H65 | 109.0° | 109.5° |
| C64 | C65 | H65A | 108.9° | 109.5° |
| H64 | C64 | H64A | 109.5° | 109.5° |
| C66 | C65 | H65 | 109.0° | 109.5° |
| C66 | C65 | H65A | 109.0° | 109.4° |
| C65 | C66 | H66 | 109.5° | 109.5° |
| C65 | C66 | H66A | 109.5° | 109.4° |
| C65 | C66 | H66B | 109.5° | 109.4° |
| H65 | C65 | H65A | 109.5° | 109.5° |
| H66 | C66 | H66A | 109.5° | 109.5° |
| H66 | C66 | H66B | 109.5° | 109.5° |
| H66A | C66 | H66B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C11 | C6 | 178.2° | 179.7° |
| N1 | C2 | O2 | N3 | 179.1° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| C2 | N1 | C6 | C5 | 0.9° | 0.5° |
| C2 | N1 | C6 | H6 | 179.1° | 179.8° |
| C2 | N1 | C11 | O14 | 120.4° | 53.9° |
| C2 | N1 | C11 | C12 | 120.3° | 61.6° |
| C2 | N1 | C11 | H1'A | 0.3° | 176.1° |
| N1 | C2 | N3 | HN3 | 179.4° | 180.0° |
| C11 | N1 | C2 | O2 | 1.7° | 0.0° |
| C11 | N1 | C2 | N3 | 179.2° | 180.0° |
| C11 | N1 | C6 | C5 | 179.1° | 179.7° |
| C11 | N1 | C6 | H6 | 0.9° | 0.0° |
| N1 | C11 | O14 | C12 | 123.6° | 118.9° |
| N1 | C11 | O14 | H1'A | 120.0° | 122.2° |
| N1 | C11 | C12 | H1'A | 121.0° | 122.2° |
| N1 | C11 | C12 | O2' | 87.1° | 98.5° |
| N1 | C11 | C12 | C13 | 152.3° | 142.8° |
| N1 | C11 | C12 | H2'A | 35.9° | 24.2° |
| N1 | C11 | O14 | C14 | 140.6° | 159.3° |
| C6 | N1 | C2 | O2 | 179.9° | 179.7° |
| C6 | N1 | C2 | N3 | 0.9° | 0.2° |
| N1 | C6 | C5 | C4 | 0.5° | 0.6° |
| N1 | C6 | C5 | H6 | 180.0° | 179.7° |
| N1 | C6 | C5 | H5 | 179.5° | 179.8° |
| C6 | N1 | C11 | O14 | 57.8° | 126.4° |
| C6 | N1 | C11 | C12 | 61.5° | 118.1° |
| C6 | N1 | C11 | H1'A | 178.0° | 4.2° |
| O2 | C2 | N3 | C4 | 179.7° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.3° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.1° |
| N3 | C4 | O4 | C5 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.3° |
| N3 | C4 | C5 | H5 | 179.9° | 180.0° |
| O4 | C4 | C5 | C6 | 179.9° | 179.7° |
| O4 | C4 | C5 | H5 | 0.1° | 0.0° |
| O4 | C4 | N3 | HN3 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 179.5° | 179.7° |
| C5 | C4 | N3 | HN3 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.5° | 0.0° |
| O15 | PA | O3A | O2A | 111.4° | 120.0° |
| O15 | PA | O3A | O1A | 114.8° | 120.0° |
| O15 | PA | O2A | O1A | 121.2° | 120.0° |
| O15 | PA | O3A | PB | 102.2° | 160.0° |
| O15 | PA | O1A | HO1A | 120.5° | 60.0° |
| PA | O15 | C15 | C14 | 144.9° | 180.0° |
| PA | O15 | C15 | H5'A | 24.6° | 60.0° |
| PA | O15 | C15 | H5AA | 94.8° | 60.0° |
| O3A | PA | O2A | O1A | 128.0° | 120.0° |
| PA | O3A | PB | O2B | 58.0° | 40.0° |
| PA | O3A | PB | O3B | 174.9° | 159.9° |
| PA | O3A | PB | O1B | 76.1° | 80.0° |
| O3A | PA | O1A | HO1A | 126.1° | 60.0° |
| O3A | PA | O15 | C15 | 49.7° | 175.0° |
| O2A | PA | O3A | PB | 146.4° | 40.0° |
| O2A | PA | O1A | HO1A | 0.0° | 180.0° |
| O2A | PA | O15 | C15 | 62.6° | 55.0° |
| O1A | PA | O3A | PB | 12.6° | 80.0° |
| O1A | PA | O15 | C15 | 167.3° | 65.0° |
| O2B | PB | O3B | O3A | 112.2° | 120.0° |
| O2B | PB | O3B | O1B | 132.2° | 120.0° |
| O2B | PB | O3A | O1B | 134.1° | 120.0° |
| O2B | PB | O3B | C1' | 178.6° | 55.0° |
| O2B | PB | O1B | HO1B | 0.0° | 180.0° |
| O3B | PB | O3A | O1B | 109.0° | 120.0° |
| PB | O3B | C1' | O5' | 93.4° | 90.0° |
| PB | O3B | C1' | C2' | 145.3° | 150.0° |
| PB | O3B | C1' | H1' | 25.0° | 30.1° |
| O3B | PB | O1B | HO1B | 128.9° | 60.0° |
| O3A | PB | O3B | C1' | 66.4° | 175.0° |
| O3A | PB | O1B | HO1B | 128.5° | 60.0° |
| O1B | PB | O3B | C1' | 49.2° | 64.9° |
| O5' | C1' | O3B | C2' | 121.4° | 120.0° |
| O5' | C1' | O3B | H1' | 118.4° | 120.0° |
| O5' | C1' | C2' | H1' | 117.6° | 120.0° |
| O5' | C1' | C2' | C3' | 65.8° | 57.7° |
| O5' | C1' | C2' | N34 | 171.0° | 177.6° |
| O5' | C1' | C2' | H2' | 50.6° | 62.3° |
| C1' | O5' | C5' | C4' | 51.2° | 61.2° |
| C1' | O5' | C5' | C6' | 176.5° | 178.9° |
| C1' | O5' | C5' | H5' | 67.1° | 58.8° |
| O3B | C1' | C2' | H1' | 120.9° | 119.9° |
| O3B | C1' | C2' | C3' | 55.7° | 62.4° |
| O3B | C1' | C2' | N34 | 67.5° | 57.5° |
| O3B | C1' | C2' | H2' | 172.1° | 177.6° |
| O3B | C1' | O5' | C5' | 62.7° | 58.8° |
| C1' | C2' | C3' | N34 | 124.8° | 119.9° |
| C1' | C2' | C3' | H2' | 116.3° | 119.9° |
| C1' | C2' | N34 | H2' | 119.9° | 120.1° |
| C1' | C2' | C3' | C4' | 58.6° | 57.0° |
| C1' | C2' | C3' | O51 | 174.0° | 176.9° |
| C1' | C2' | C3' | H3' | 61.6° | 62.9° |
| C1' | C2' | N34 | C35 | 71.5° | 85.0° |
| C1' | C2' | N34 | HN34 | 108.5° | 95.0° |
| C2' | C1' | O5' | C5' | 62.1° | 61.2° |
| H1' | C1' | C2' | C3' | 176.6° | 177.7° |
| H1' | C1' | C2' | N34 | 53.4° | 62.4° |
| H1' | C1' | C2' | H2' | 67.0° | 57.7° |
| H1' | C1' | O5' | C5' | 178.9° | 178.8° |
| O14 | C11 | C12 | H1'A | 117.2° | 118.9° |
| O14 | C11 | C12 | O2' | 151.1° | 142.6° |
| O14 | C11 | C12 | C13 | 30.5° | 23.9° |
| O14 | C11 | C12 | H2'A | 86.0° | 94.6° |
| C11 | O14 | C14 | C13 | 3.9° | 40.4° |
| C11 | O14 | C14 | C15 | 118.0° | 159.3° |
| C11 | O14 | C14 | H4'A | 121.9° | 78.4° |
| C11 | C12 | O2' | C13 | 114.0° | 114.7° |
| C11 | C12 | O2' | H2'A | 122.2° | 122.7° |
| C11 | C12 | C13 | H2'A | 116.4° | 118.6° |
| C11 | C12 | O2' | HO2' | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 32.1° | 0.0° |
| C11 | C12 | C13 | O3' | 85.1° | 118.8° |
| C11 | C12 | C13 | H3'A | 150.6° | 118.6° |
| C12 | C11 | O14 | C14 | 17.0° | 40.4° |
| H1'A | C11 | C12 | O2' | 33.9° | 23.7° |
| H1'A | C11 | C12 | C13 | 86.8° | 95.0° |
| H1'A | C11 | C12 | H2'A | 156.8° | 146.5° |
| H1'A | C11 | O14 | C14 | 99.5° | 78.5° |
| C3' | C2' | N34 | H2' | 118.4° | 120.2° |
| C2' | C3' | C4' | O51 | 120.6° | 119.9° |
| C2' | C3' | C4' | H3' | 120.2° | 119.9° |
| C2' | C3' | O51 | H3' | 123.6° | 120.2° |
| C3' | C2' | N34 | C35 | 166.8° | 155.3° |
| C3' | C2' | N34 | HN34 | 13.2° | 24.7° |
| C2' | C3' | C4' | O4' | 167.6° | 176.9° |
| C2' | C3' | C4' | C5' | 48.4° | 57.0° |
| C2' | C3' | C4' | H4' | 73.7° | 62.9° |
| C2' | C3' | O51 | C52 | 91.6° | 150.1° |
| N34 | C2' | C3' | C4' | 176.7° | 176.9° |
| N34 | C2' | C3' | O51 | 61.2° | 63.2° |
| N34 | C2' | C3' | H3' | 63.2° | 57.1° |
| C2' | N34 | C35 | HN34 | 180.0° | 180.0° |
| C2' | N34 | C35 | O36 | 60.6° | 0.0° |
| C2' | N34 | C35 | C37 | 119.1° | 180.0° |
| H2' | C2' | C3' | C4' | 57.7° | 63.0° |
| H2' | C2' | C3' | O51 | 57.8° | 57.0° |
| H2' | C2' | C3' | H3' | 177.9° | 177.2° |
| H2' | C2' | N34 | C35 | 48.4° | 35.1° |
| H2' | C2' | N34 | HN34 | 131.6° | 144.9° |
| O2' | C12 | C13 | H2'A | 124.5° | 122.7° |
| O2' | C12 | C13 | C14 | 151.2° | 118.7° |
| O2' | C12 | C13 | O3' | 33.9° | 0.1° |
| O2' | C12 | C13 | H3'A | 90.3° | 122.7° |
| C13 | C12 | O2' | HO2' | 66.0° | 65.4° |
| C12 | C13 | C14 | O3' | 118.1° | 118.7° |
| C12 | C13 | C14 | H3'A | 118.5° | 118.7° |
| C12 | C13 | O3' | H3'A | 123.5° | 122.6° |
| C12 | C13 | O3' | HO3' | 180.0° | 61.5° |
| C12 | C13 | C14 | O14 | 23.0° | 24.0° |
| C12 | C13 | C14 | C15 | 97.0° | 142.9° |
| C12 | C13 | C14 | H4'A | 141.9° | 94.9° |
| H2'A | C12 | O2' | HO2' | 57.8° | 57.3° |
| H2'A | C12 | C13 | C14 | 84.4° | 118.6° |
| H2'A | C12 | C13 | O3' | 158.4° | 122.6° |
| H2'A | C12 | C13 | H3'A | 34.2° | 0.0° |
| C4' | C3' | O51 | H3' | 118.3° | 120.3° |
| C3' | C4' | O4' | C5' | 122.2° | 119.6° |
| C3' | C4' | O4' | H4' | 117.8° | 120.1° |
| C3' | C4' | C5' | H4' | 122.2° | 119.9° |
| C3' | C4' | O4' | HO4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 169.1° | 177.6° |
| C3' | C4' | C5' | O5' | 44.2° | 57.7° |
| C3' | C4' | C5' | H5' | 74.8° | 62.4° |
| C4' | C3' | O51 | C52 | 150.3° | 90.4° |
| O51 | C3' | C4' | O4' | 71.8° | 63.2° |
| O51 | C3' | C4' | C5' | 169.0° | 176.9° |
| O51 | C3' | C4' | H4' | 46.9° | 56.9° |
| C3' | O51 | C52 | O53 | 30.4° | 0.0° |
| C3' | O51 | C52 | C54 | 150.6° | 180.0° |
| H3' | C3' | C4' | O4' | 47.4° | 57.0° |
| H3' | C3' | C4' | C5' | 71.8° | 62.9° |
| H3' | C3' | C4' | H4' | 166.1° | 177.2° |
| H3' | C3' | O51 | C52 | 32.0° | 29.8° |
| C14 | C13 | O3' | H3'A | 122.6° | 122.7° |
| C14 | C13 | O3' | HO3' | 66.0° | 176.2° |
| C13 | C14 | O14 | C15 | 121.9° | 118.9° |
| C13 | C14 | O14 | H4'A | 118.1° | 118.8° |
| C13 | C14 | C15 | H4'A | 121.1° | 122.2° |
| C13 | C14 | C15 | O15 | 62.4° | 175.0° |
| C13 | C14 | C15 | H5'A | 57.9° | 55.0° |
| C13 | C14 | C15 | H5AA | 177.3° | 65.0° |
| O3' | C13 | C14 | O14 | 95.1° | 142.7° |
| O3' | C13 | C14 | C15 | 144.9° | 98.4° |
| O3' | C13 | C14 | H4'A | 23.8° | 23.8° |
| H3'A | C13 | O3' | HO3' | 56.5° | 61.2° |
| H3'A | C13 | C14 | O14 | 141.5° | 94.7° |
| H3'A | C13 | C14 | C15 | 21.5° | 24.2° |
| H3'A | C13 | C14 | H4'A | 99.6° | 146.4° |
| N34 | C35 | O36 | C37 | 179.7° | 179.9° |
| N34 | C35 | C37 | C38 | 173.4° | 180.0° |
| N34 | C35 | C37 | H37 | 53.8° | 60.0° |
| N34 | C35 | C37 | H37A | 66.9° | 60.1° |
| HN34 | N34 | C35 | O36 | 119.4° | 180.0° |
| HN34 | N34 | C35 | C37 | 60.9° | 0.0° |
| O36 | C35 | C37 | C38 | 6.9° | 0.1° |
| O36 | C35 | C37 | H37 | 126.5° | 120.0° |
| O36 | C35 | C37 | H37A | 112.8° | 120.0° |
| C35 | C37 | C38 | H37 | 119.7° | 120.0° |
| C35 | C37 | C38 | H37A | 119.7° | 120.0° |
| C35 | C37 | H37 | H37A | 121.0° | 120.0° |
| C35 | C37 | C38 | C39 | 89.3° | 175.0° |
| C35 | C37 | C38 | O50 | 150.5° | 65.0° |
| C35 | C37 | C38 | H38 | 29.5° | 55.0° |
| C38 | C37 | H37 | H37A | 120.9° | 120.0° |
| C37 | C38 | C39 | O50 | 120.0° | 120.0° |
| C37 | C38 | C39 | H38 | 118.7° | 120.0° |
| C37 | C38 | O50 | H38 | 120.3° | 120.0° |
| C37 | C38 | C39 | C40 | 147.5° | 175.0° |
| C37 | C38 | C39 | H39 | 27.3° | 55.0° |
| C37 | C38 | C39 | H39A | 92.3° | 65.0° |
| C37 | C38 | O50 | HO50 | 180.0° | 60.0° |
| H37 | C37 | C38 | C39 | 30.4° | 55.0° |
| H37 | C37 | C38 | O50 | 89.8° | 175.0° |
| H37 | C37 | C38 | H38 | 149.1° | 65.0° |
| H37A | C37 | C38 | C39 | 151.0° | 65.0° |
| H37A | C37 | C38 | O50 | 30.8° | 55.0° |
| H37A | C37 | C38 | H38 | 90.2° | 175.0° |
| C39 | C38 | O50 | H38 | 120.5° | 120.0° |
| C38 | C39 | C40 | H39 | 120.2° | 120.0° |
| C38 | C39 | C40 | H39A | 120.2° | 120.0° |
| C38 | C39 | H39 | H39A | 119.3° | 120.0° |
| C38 | C39 | C40 | C41 | 91.2° | 180.0° |
| C38 | C39 | C40 | H40 | 29.3° | 60.0° |
| C38 | C39 | C40 | H40A | 148.3° | 59.9° |
| C39 | C38 | O50 | HO50 | 60.8° | 60.0° |
| O50 | C38 | C39 | C40 | 92.5° | 65.0° |
| O50 | C38 | C39 | H39 | 147.3° | 175.0° |
| O50 | C38 | C39 | H39A | 27.7° | 55.0° |
| H38 | C38 | C39 | C40 | 28.8° | 55.0° |
| H38 | C38 | C39 | H39 | 91.5° | 65.0° |
| H38 | C38 | C39 | H39A | 149.0° | 175.0° |
| H38 | C38 | O50 | HO50 | 59.7° | 180.0° |
| C40 | C39 | H39 | H39A | 119.4° | 120.0° |
| C39 | C40 | C41 | H40 | 120.5° | 120.0° |
| C39 | C40 | C41 | H40A | 120.5° | 120.0° |
| C39 | C40 | H40 | H40A | 118.5° | 120.0° |
| C39 | C40 | C41 | C42 | 168.5° | 180.0° |
| C39 | C40 | C41 | H41 | 71.2° | 60.0° |
| C39 | C40 | C41 | H41A | 48.3° | 60.0° |
| H39 | C39 | C40 | C41 | 148.6° | 60.0° |
| H39 | C39 | C40 | H40 | 90.9° | 179.9° |
| H39 | C39 | C40 | H40A | 28.1° | 60.0° |
| H39A | C39 | C40 | C41 | 29.0° | 60.0° |
| H39A | C39 | C40 | H40 | 149.5° | 60.0° |
| H39A | C39 | C40 | H40A | 91.5° | 180.0° |
| O4' | C4' | C5' | H4' | 120.9° | 120.3° |
| O4' | C4' | C5' | C6' | 74.0° | 62.5° |
| O4' | C4' | C5' | O5' | 161.1° | 177.5° |
| O4' | C4' | C5' | H5' | 42.1° | 57.5° |
| C5' | C4' | O4' | HO4' | 57.7° | 60.3° |
| C4' | C5' | C6' | O5' | 126.7° | 119.9° |
| C4' | C5' | C6' | H5' | 116.1° | 120.0° |
| C4' | C5' | O5' | H5' | 118.3° | 120.0° |
| C4' | C5' | C6' | O6' | 30.7° | 175.0° |
| C4' | C5' | C6' | H6' | 150.7° | 55.0° |
| C4' | C5' | C6' | H6'A | 89.4° | 65.0° |
| H4' | C4' | O4' | HO4' | 62.2° | 59.9° |
| H4' | C4' | C5' | C6' | 46.9° | 57.7° |
| H4' | C4' | C5' | O5' | 78.0° | 62.2° |
| H4' | C4' | C5' | H5' | 163.0° | 177.7° |
| O14 | C14 | C15 | H4'A | 120.8° | 122.3° |
| O14 | C14 | C15 | O15 | 179.5° | 69.6° |
| O14 | C14 | C15 | H5'A | 60.2° | 170.4° |
| O14 | C14 | C15 | H5AA | 59.2° | 50.4° |
| C14 | C15 | O15 | H5'A | 120.3° | 120.0° |
| C14 | C15 | O15 | H5AA | 120.3° | 120.0° |
| C14 | C15 | H5'A | H5AA | 119.2° | 120.0° |
| H4'A | C14 | C15 | O15 | 58.7° | 52.8° |
| H4'A | C14 | C15 | H5'A | 179.0° | 67.2° |
| H4'A | C14 | C15 | H5AA | 61.6° | 172.8° |
| C41 | C40 | H40 | H40A | 118.4° | 120.0° |
| C40 | C41 | C42 | H41 | 120.2° | 120.1° |
| C40 | C41 | C42 | H41A | 120.2° | 120.0° |
| C40 | C41 | H41 | H41A | 119.3° | 120.0° |
| C40 | C41 | C42 | C43 | 64.8° | 180.0° |
| C40 | C41 | C42 | H42 | 175.0° | 59.9° |
| C40 | C41 | C42 | H42A | 55.3° | 60.1° |
| H40 | C40 | C41 | C42 | 48.0° | 59.9° |
| H40 | C40 | C41 | H41 | 168.3° | 180.0° |
| H40 | C40 | C41 | H41A | 72.2° | 60.0° |
| H40A | C40 | C41 | C42 | 70.9° | 60.0° |
| H40A | C40 | C41 | H41 | 49.3° | 60.0° |
| H40A | C40 | C41 | H41A | 168.8° | NaN° |
| C42 | C41 | H41 | H41A | 119.3° | 119.9° |
| C41 | C42 | C43 | H42 | 120.2° | 120.1° |
| C41 | C42 | C43 | H42A | 120.1° | 120.0° |
| C41 | C42 | H42 | H42A | 119.5° | 120.0° |
| C41 | C42 | C43 | C44 | 159.9° | 180.0° |
| C41 | C42 | C43 | H43 | 39.5° | 59.9° |
| C41 | C42 | C43 | H43A | 79.7° | 60.0° |
| H41 | C41 | C42 | C43 | 55.4° | 59.9° |
| H41 | C41 | C42 | H42 | 64.8° | NaN° |
| H41 | C41 | C42 | H42A | 175.5° | 60.0° |
| H41A | C41 | C42 | C43 | 174.9° | 60.0° |
| H41A | C41 | C42 | H42 | 54.7° | 60.1° |
| H41A | C41 | C42 | H42A | 64.9° | 179.9° |
| C43 | C42 | H42 | H42A | 119.5° | 119.9° |
| C42 | C43 | C44 | H43 | 120.4° | 120.1° |
| C42 | C43 | C44 | H43A | 120.4° | 120.0° |
| C42 | C43 | H43 | H43A | 118.8° | 119.9° |
| C42 | C43 | C44 | C45 | 175.7° | 180.0° |
| C42 | C43 | C44 | H44 | 64.5° | 59.9° |
| C42 | C43 | C44 | H44A | 56.0° | 60.0° |
| H42 | C42 | C43 | C44 | 79.9° | 59.9° |
| H42 | C42 | C43 | H43 | 159.7° | 179.9° |
| H42 | C42 | C43 | H43A | 40.4° | 60.1° |
| H42A | C42 | C43 | C44 | 39.7° | 60.0° |
| H42A | C42 | C43 | H43 | 80.6° | 60.1° |
| H42A | C42 | C43 | H43A | 160.1° | 180.0° |
| C44 | C43 | H43 | H43A | 118.8° | 120.0° |
| C43 | C44 | C45 | H44 | 119.7° | 120.1° |
| C43 | C44 | C45 | H44A | 119.7° | 120.0° |
| C43 | C44 | H44 | H44A | 120.7° | 119.9° |
| C43 | C44 | C45 | C46 | 168.6° | 180.0° |
| C43 | C44 | C45 | H45 | 48.0° | 59.9° |
| C43 | C44 | C45 | H45A | 70.9° | 60.1° |
| H43 | C43 | C44 | C45 | 55.3° | 59.9° |
| H43 | C43 | C44 | H44 | 175.1° | 180.0° |
| H43 | C43 | C44 | H44A | 64.4° | 60.1° |
| H43A | C43 | C44 | C45 | 63.9° | 60.0° |
| H43A | C43 | C44 | H44 | 55.9° | 60.1° |
| H43A | C43 | C44 | H44A | 176.4° | 180.0° |
| C45 | C44 | H44 | H44A | 120.7° | 120.0° |
| C44 | C45 | C46 | H45 | 120.5° | 120.1° |
| C44 | C45 | C46 | H45A | 120.5° | 120.0° |
| C44 | C45 | H45 | H45A | 118.4° | 120.0° |
| C44 | C45 | C46 | C47 | 113.9° | 180.0° |
| C44 | C45 | C46 | H46 | 6.2° | 59.9° |
| C44 | C45 | C46 | H46A | 125.9° | 60.0° |
| H44 | C44 | C45 | C46 | 71.7° | 60.0° |
| H44 | C44 | C45 | H45 | 167.8° | 180.0° |
| H44 | C44 | C45 | H45A | 48.9° | 60.0° |
| H44A | C44 | C45 | C46 | 48.8° | 60.0° |
| H44A | C44 | C45 | H45 | 71.7° | 60.0° |
| H44A | C44 | C45 | H45A | 169.4° | 179.9° |
| C46 | C45 | H45 | H45A | 118.4° | 119.9° |
| C45 | C46 | C47 | H46 | 120.2° | 120.0° |
| C45 | C46 | C47 | H46A | 120.2° | 120.0° |
| C45 | C46 | H46 | H46A | 119.5° | 119.9° |
| C45 | C46 | C47 | C48 | 162.8° | 180.0° |
| C45 | C46 | C47 | H47 | 77.0° | 60.0° |
| C45 | C46 | C47 | H47A | 42.5° | 60.0° |
| H45 | C45 | C46 | C47 | 125.6° | 60.0° |
| H45 | C45 | C46 | H46 | 114.3° | 180.0° |
| H45 | C45 | C46 | H46A | 5.4° | 60.1° |
| H45A | C45 | C46 | C47 | 6.6° | 60.0° |
| H45A | C45 | C46 | H46 | 126.8° | 60.1° |
| H45A | C45 | C46 | H46A | 113.6° | 180.0° |
| C47 | C46 | H46 | H46A | 119.5° | 120.0° |
| C46 | C47 | C48 | H47 | 120.2° | 120.1° |
| C46 | C47 | C48 | H47A | 120.2° | 120.0° |
| C46 | C47 | H47 | H47A | 119.2° | 120.0° |
| C46 | C47 | C48 | C49 | 170.9° | NaN° |
| C46 | C47 | C48 | H48 | 50.8° | 59.9° |
| C46 | C47 | C48 | H48A | 69.0° | 60.0° |
| H46 | C46 | C47 | C48 | 42.6° | 59.9° |
| H46 | C46 | C47 | H47 | 162.9° | 180.0° |
| H46 | C46 | C47 | H47A | 77.6° | 60.1° |
| H46A | C46 | C47 | C48 | 77.1° | 60.0° |
| H46A | C46 | C47 | H47 | 43.2° | 60.0° |
| H46A | C46 | C47 | H47A | 162.7° | 180.0° |
| C48 | C47 | H47 | H47A | 119.2° | 120.0° |
| C47 | C48 | C49 | H48 | 120.1° | 120.0° |
| C47 | C48 | C49 | H48A | 120.1° | 120.0° |
| C47 | C48 | H48 | H48A | 119.7° | 120.0° |
| C47 | C48 | C49 | H49 | 180.0° | 60.0° |
| C47 | C48 | C49 | H49A | 60.0° | 180.0° |
| C47 | C48 | C49 | H49B | 60.0° | 59.9° |
| H47 | C47 | C48 | C49 | 68.9° | 59.9° |
| H47 | C47 | C48 | H48 | 171.0° | 180.0° |
| H47 | C47 | C48 | H48A | 51.2° | 60.1° |
| H47A | C47 | C48 | C49 | 50.7° | 60.0° |
| H47A | C47 | C48 | H48 | 69.4° | 60.1° |
| H47A | C47 | C48 | H48A | 170.7° | 180.0° |
| C49 | C48 | H48 | H48A | 119.8° | 120.0° |
| C48 | C49 | H49 | H49A | 120.0° | 120.0° |
| C48 | C49 | H49 | H49B | 120.0° | 120.0° |
| C48 | C49 | H49A | H49B | 120.0° | 120.0° |
| H48 | C48 | C49 | H49 | 59.9° | 60.0° |
| H48 | C48 | C49 | H49A | 179.9° | 60.0° |
| H48 | C48 | C49 | H49B | 60.1° | 180.0° |
| H48A | C48 | C49 | H49 | 59.9° | 180.0° |
| H48A | C48 | C49 | H49A | 60.1° | 60.0° |
| H48A | C48 | C49 | H49B | 179.9° | 60.1° |
| H49 | C49 | H49A | H49B | 120.0° | 120.0° |
| C6' | C5' | O5' | H5' | 116.4° | 120.1° |
| C5' | C6' | O6' | H6' | 120.1° | 120.1° |
| C5' | C6' | O6' | H6'A | 120.1° | 120.0° |
| C5' | C6' | H6' | H6'A | 119.8° | 120.0° |
| C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
| O5' | C5' | C6' | O6' | 96.1° | 65.1° |
| O5' | C5' | C6' | H6' | 24.0° | 174.9° |
| O5' | C5' | C6' | H6'A | 143.8° | 54.9° |
| H5' | C5' | C6' | O6' | 146.8° | 55.0° |
| H5' | C5' | C6' | H6' | 93.1° | 65.0° |
| H5' | C5' | C6' | H6'A | 26.7° | 175.0° |
| O15 | C15 | H5'A | H5AA | 119.2° | 120.0° |
| O51 | C52 | O53 | C54 | 179.0° | 180.0° |
| O51 | C52 | C54 | C55 | 55.0° | 179.9° |
| O51 | C52 | C54 | H54 | 64.8° | 60.0° |
| O51 | C52 | C54 | H54A | 174.7° | 60.0° |
| O53 | C52 | C54 | C55 | 126.0° | 0.0° |
| O53 | C52 | C54 | H54 | 114.2° | 120.0° |
| O53 | C52 | C54 | H54A | 6.3° | 120.0° |
| C52 | C54 | C55 | H54 | 119.8° | 119.9° |
| C52 | C54 | C55 | H54A | 119.8° | 120.0° |
| C52 | C54 | H54 | H54A | 120.7° | 120.0° |
| C52 | C54 | C55 | C56 | 160.0° | 175.0° |
| C52 | C54 | C55 | O67 | 78.6° | 65.0° |
| C52 | C54 | C55 | H55 | 41.4° | 54.9° |
| C55 | C54 | H54 | H54A | 120.7° | 120.0° |
| C54 | C55 | C56 | O67 | 120.5° | 119.9° |
| C54 | C55 | C56 | H55 | 118.7° | 120.0° |
| C54 | C55 | O67 | H55 | 119.2° | 120.0° |
| C54 | C55 | C56 | C57 | 161.9° | 175.0° |
| C54 | C55 | C56 | H56 | 77.7° | 55.0° |
| C54 | C55 | C56 | H56A | 41.5° | 65.0° |
| C54 | C55 | O67 | HO67 | 180.0° | 60.0° |
| H54 | C54 | C55 | C56 | 40.2° | 55.1° |
| H54 | C54 | C55 | O67 | 161.6° | 175.0° |
| H54 | C54 | C55 | H55 | 78.4° | 65.0° |
| H54A | C54 | C55 | C56 | 80.3° | 65.0° |
| H54A | C54 | C55 | O67 | 41.2° | 55.0° |
| H54A | C54 | C55 | H55 | 161.1° | 174.9° |
| C56 | C55 | O67 | H55 | 120.1° | 120.1° |
| C55 | C56 | C57 | H56 | 120.4° | 120.0° |
| C55 | C56 | C57 | H56A | 120.4° | 120.0° |
| C55 | C56 | H56 | H56A | 118.8° | 120.0° |
| C55 | C56 | C57 | C58 | 88.2° | 180.0° |
| C55 | C56 | C57 | H57 | 32.2° | 60.1° |
| C55 | C56 | C57 | H57A | 151.4° | 60.0° |
| C56 | C55 | O67 | HO67 | 59.3° | 59.9° |
| O67 | C55 | C56 | C57 | 41.5° | 65.1° |
| O67 | C55 | C56 | H56 | 161.8° | 175.0° |
| O67 | C55 | C56 | H56A | 78.9° | 55.0° |
| H55 | C55 | C56 | C57 | 79.4° | 55.0° |
| H55 | C55 | C56 | H56 | 41.0° | 65.0° |
| H55 | C55 | C56 | H56A | 160.2° | 175.0° |
| H55 | C55 | O67 | HO67 | 60.8° | 180.0° |
| C57 | C56 | H56 | H56A | 118.8° | 120.0° |
| C56 | C57 | C58 | H57 | 120.4° | 119.9° |
| C56 | C57 | C58 | H57A | 120.4° | 120.1° |
| C56 | C57 | H57 | H57A | 118.7° | 120.1° |
| C56 | C57 | C58 | C59 | 164.9° | 180.0° |
| C56 | C57 | C58 | H58 | 44.6° | 60.0° |
| C56 | C57 | C58 | H58A | 74.9° | 60.0° |
| H56 | C56 | C57 | C58 | 151.4° | 60.0° |
| H56 | C56 | C57 | H57 | 88.2° | 179.9° |
| H56 | C56 | C57 | H57A | 31.0° | 60.0° |
| H56A | C56 | C57 | C58 | 32.2° | 60.0° |
| H56A | C56 | C57 | H57 | 152.6° | 60.0° |
| H56A | C56 | C57 | H57A | 88.2° | 180.0° |
| C58 | C57 | H57 | H57A | 118.7° | 120.0° |
| C57 | C58 | C59 | H58 | 120.2° | 120.0° |
| C57 | C58 | C59 | H58A | 120.3° | 120.0° |
| C57 | C58 | H58 | H58A | 119.3° | 120.0° |
| C57 | C58 | C59 | C60 | 41.0° | 180.0° |
| C57 | C58 | C59 | H59 | 161.4° | 60.0° |
| C57 | C58 | C59 | H59A | 79.3° | 60.0° |
| H57 | C57 | C58 | C59 | 74.7° | 60.1° |
| H57 | C57 | C58 | H58 | 165.0° | 180.0° |
| H57 | C57 | C58 | H58A | 45.5° | 60.0° |
| H57A | C57 | C58 | C59 | 44.4° | 59.9° |
| H57A | C57 | C58 | H58 | 75.8° | 60.1° |
| H57A | C57 | C58 | H58A | 164.7° | 180.0° |
| C59 | C58 | H58 | H58A | 119.2° | 120.0° |
| C58 | C59 | C60 | H59 | 120.3° | 119.9° |
| C58 | C59 | C60 | H59A | 120.3° | 120.0° |
| C58 | C59 | H59 | H59A | 118.9° | 120.0° |
| C58 | C59 | C60 | C61 | 119.6° | 180.0° |
| C58 | C59 | C60 | H60 | 120.0° | 60.0° |
| C58 | C59 | C60 | H60A | 0.7° | 59.9° |
| H58 | C58 | C59 | C60 | 79.2° | 60.0° |
| H58 | C58 | C59 | H59 | 41.1° | 180.0° |
| H58 | C58 | C59 | H59A | 160.4° | 60.0° |
| H58A | C58 | C59 | C60 | 161.3° | 60.0° |
| H58A | C58 | C59 | H59 | 78.3° | 60.0° |
| H58A | C58 | C59 | H59A | 40.9° | 180.0° |
| C60 | C59 | H59 | H59A | 119.0° | 120.0° |
| C59 | C60 | C61 | H60 | 120.4° | 120.0° |
| C59 | C60 | C61 | H60A | 120.3° | 120.0° |
| C59 | C60 | H60 | H60A | 119.0° | 120.0° |
| C59 | C60 | C61 | C62 | 102.4° | 179.9° |
| C59 | C60 | C61 | H61 | 136.9° | 60.0° |
| C59 | C60 | C61 | H61A | 18.4° | 60.0° |
| H59 | C59 | C60 | C61 | 0.7° | 60.0° |
| H59 | C59 | C60 | H60 | 119.7° | 179.9° |
| H59 | C59 | C60 | H60A | 121.0° | 60.0° |
| H59A | C59 | C60 | C61 | 120.0° | 60.0° |
| H59A | C59 | C60 | H60 | 0.3° | 60.0° |
| H59A | C59 | C60 | H60A | 119.7° | 180.0° |
| O6' | C6' | H6' | H6'A | 119.7° | 119.9° |
| H6' | C6' | O6' | HO6' | 59.9° | 59.9° |
| H6'A | C6' | O6' | HO6' | 59.9° | 60.0° |
| C61 | C60 | H60 | H60A | 119.0° | 120.0° |
| C60 | C61 | C62 | H61 | 120.8° | 120.0° |
| C60 | C61 | C62 | H61A | 120.7° | 120.0° |
| C60 | C61 | H61 | H61A | 117.7° | 120.0° |
| C60 | C61 | C62 | C63 | 98.7° | 180.0° |
| C60 | C61 | C62 | H62 | 141.0° | 60.0° |
| C60 | C61 | C62 | H62A | 21.5° | 60.0° |
| H60 | C60 | C61 | C62 | 18.0° | 59.9° |
| H60 | C60 | C61 | H61 | 102.8° | 180.0° |
| H60 | C60 | C61 | H61A | 138.7° | 60.0° |
| H60A | C60 | C61 | C62 | 137.3° | 60.1° |
| H60A | C60 | C61 | H61 | 16.6° | 60.0° |
| H60A | C60 | C61 | H61A | 102.0° | 180.0° |
| C62 | C61 | H61 | H61A | 117.7° | 120.0° |
| C61 | C62 | C63 | H62 | 120.3° | 120.0° |
| C61 | C62 | C63 | H62A | 120.3° | 119.9° |
| C61 | C62 | H62 | H62A | 119.2° | 120.0° |
| C61 | C62 | C63 | C64 | 113.8° | 180.0° |
| C61 | C62 | C63 | H63 | 125.8° | 60.0° |
| C61 | C62 | C63 | H63A | 6.7° | 60.1° |
| H61 | C61 | C62 | C63 | 22.0° | 60.0° |
| H61 | C61 | C62 | H62 | 98.2° | NaN° |
| H61 | C61 | C62 | H62A | 142.3° | 60.0° |
| H61A | C61 | C62 | C63 | 140.6° | 60.1° |
| H61A | C61 | C62 | H62 | 20.3° | 60.0° |
| H61A | C61 | C62 | H62A | 99.2° | 180.0° |
| C63 | C62 | H62 | H62A | 119.1° | 120.0° |
| C62 | C63 | C64 | H63 | 120.5° | 120.0° |
| C62 | C63 | C64 | H63A | 120.5° | 120.0° |
| C62 | C63 | H63 | H63A | 118.6° | 120.1° |
| C62 | C63 | C64 | C65 | 149.9° | 180.0° |
| C62 | C63 | C64 | H64 | 89.8° | 60.0° |
| C62 | C63 | C64 | H64A | 29.5° | 60.0° |
| H62 | C62 | C63 | C64 | 6.5° | 60.0° |
| H62 | C62 | C63 | H63 | 114.0° | 180.0° |
| H62 | C62 | C63 | H63A | 127.0° | 60.0° |
| H62A | C62 | C63 | C64 | 125.9° | 60.0° |
| H62A | C62 | C63 | H63 | 5.5° | 60.0° |
| H62A | C62 | C63 | H63A | 113.6° | 180.0° |
| C64 | C63 | H63 | H63A | 118.6° | 119.9° |
| C63 | C64 | C65 | H64 | 120.4° | 120.0° |
| C63 | C64 | C65 | H64A | 120.4° | 120.0° |
| C63 | C64 | H64 | H64A | 118.9° | 120.0° |
| C63 | C64 | C65 | C66 | 160.0° | 180.0° |
| C63 | C64 | C65 | H65 | 79.7° | 59.9° |
| C63 | C64 | C65 | H65A | 39.7° | 60.0° |
| H63 | C63 | C64 | C65 | 29.4° | 60.0° |
| H63 | C63 | C64 | H64 | 149.8° | 180.0° |
| H63 | C63 | C64 | H64A | 90.9° | 60.0° |
| H63A | C63 | C64 | C65 | 89.7° | 60.0° |
| H63A | C63 | C64 | H64 | 30.7° | 60.0° |
| H63A | C63 | C64 | H64A | 150.0° | 180.0° |
| C65 | C64 | H64 | H64A | 118.8° | 120.0° |
| C64 | C65 | C66 | H65 | 120.3° | 120.0° |
| C64 | C65 | C66 | H65A | 120.3° | 120.0° |
| C64 | C65 | H65 | H65A | 119.1° | 120.0° |
| C64 | C65 | C66 | H66 | 180.0° | 180.0° |
| C64 | C65 | C66 | H66A | 60.0° | 60.0° |
| C64 | C65 | C66 | H66B | 60.0° | 60.0° |
| H64 | C64 | C65 | C66 | 39.6° | 60.0° |
| H64 | C64 | C65 | H65 | 159.9° | 180.0° |
| H64 | C64 | C65 | H65A | 80.7° | 60.0° |
| H64A | C64 | C65 | C66 | 79.6° | 60.0° |
| H64A | C64 | C65 | H65 | 40.6° | 60.0° |
| H64A | C64 | C65 | H65A | 160.0° | 180.0° |
| C66 | C65 | H65 | H65A | 119.1° | 120.0° |
| C65 | C66 | H66 | H66A | 120.0° | 120.0° |
| C65 | C66 | H66 | H66B | 120.0° | 120.0° |
| C65 | C66 | H66A | H66B | 120.0° | 119.9° |
| H65 | C65 | C66 | H66 | 59.7° | 59.9° |
| H65 | C65 | C66 | H66A | 179.7° | 180.0° |
| H65 | C65 | C66 | H66B | 60.3° | 60.1° |
| H65A | C65 | C66 | H66 | 59.7° | 60.0° |
| H65A | C65 | C66 | H66A | 60.3° | 60.0° |
| H65A | C65 | C66 | H66B | 179.7° | 180.0° |
| H66 | C66 | H66A | H66B | 120.0° | 120.1° |
