HGG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.46Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.59Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.55Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.33Å | 1.52Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.51Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.53Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.30Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.44Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | N9 | sing | 1.46Å | 1.49Å | |
| O1' | C1' | doub | 1.21Å | 1.26Å | |
| S81 | C1' | sing | 1.71Å | 1.77Å | |
| C1' | C2' | sing | 1.51Å | 1.46Å | |
| C16 | C15 | sing | 1.55Å | 1.56Å | |
| C15 | O22 | sing | 1.44Å | 1.46Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.54Å | 1.61Å | |
| O20 | C16 | sing | 1.43Å | 1.48Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| O21 | C17 | sing | 1.43Å | 1.49Å | |
| C17 | C18 | sing | 1.54Å | 1.57Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | O22 | sing | 1.44Å | 1.41Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | O23 | sing | 1.43Å | 1.46Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| P39 | O21 | sing | 1.61Å | 1.68Å | |
| O23 | P31 | sing | 1.61Å | 1.62Å | |
| O3' | C3' | sing | 1.43Å | 1.38Å | |
| C3' | C4' | sing | 1.53Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O32 | P31 | sing | 1.61Å | 1.68Å | |
| O33 | P31 | doub | 1.48Å | 1.52Å | |
| P31 | O34 | sing | 1.61Å | 1.53Å | |
| O32 | P35 | sing | 1.61Å | 1.67Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| O36 | P35 | doub | 1.48Å | 1.61Å | |
| O37 | P35 | sing | 1.61Å | 1.55Å | |
| P35 | O38 | sing | 1.61Å | 1.62Å | |
| O37 | HO37 | sing | 0.97Å | 0.95Å | |
| O38 | C46 | sing | 1.43Å | 1.47Å | |
| O41 | P39 | doub | 1.48Å | 1.59Å | |
| O42 | P39 | sing | 1.61Å | 1.57Å | |
| O40 | P39 | sing | 1.61Å | 1.57Å | |
| C4' | C5' | sing | 1.51Å | 1.42Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4' | H4'A | sing | 1.09Å | 1.10Å | |
| O4' | C5' | doub | 1.21Å | 1.35Å | |
| O40 | HO40 | sing | 0.97Å | 0.95Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| O51 | C43 | doub | 1.21Å | 1.30Å | |
| C43 | N68 | sing | 1.35Å | 1.40Å | |
| C43 | C44 | sing | 1.51Å | 1.54Å | |
| C45 | C44 | sing | 1.53Å | 1.67Å | |
| C44 | O52 | sing | 1.43Å | 1.45Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C46 | C45 | sing | 1.53Å | 1.55Å | |
| C57 | C45 | sing | 1.53Å | 1.47Å | |
| C45 | C53 | sing | 1.53Å | 1.54Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.34Å | 1.27Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| O52 | HO52 | sing | 0.97Å | 0.95Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C53 | H53B | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C57 | H57A | sing | 1.09Å | 1.10Å | |
| C57 | H57B | sing | 1.09Å | 1.10Å | |
| C62 | C61 | sing | 1.53Å | 1.52Å | |
| C61 | C69 | sing | 1.51Å | 1.57Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H61A | sing | 1.09Å | 1.10Å | |
| C62 | N68 | sing | 1.47Å | 1.41Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H62A | sing | 1.09Å | 1.10Å | |
| N68 | HN68 | sing | 0.97Å | 1.00Å | |
| O72 | C69 | doub | 1.21Å | 1.31Å | |
| C69 | N71 | sing | 1.35Å | 1.47Å | |
| N71 | C74 | sing | 1.47Å | 1.46Å | |
| C74 | C73 | sing | 1.53Å | 1.41Å | |
| C73 | S81 | sing | 1.81Å | 1.83Å | |
| C73 | H73 | sing | 1.09Å | 1.10Å | |
| C73 | H73A | sing | 1.09Å | 1.10Å | |
| C74 | H74 | sing | 1.09Å | 1.10Å | |
| C74 | H74A | sing | 1.09Å | 1.10Å | |
| N71 | HN71 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.4° | 121.2° |
| N1 | C2 | N3 | 118.7° | 122.5° |
| N1 | C2 | H2 | 120.7° | 118.8° |
| N1 | C6 | C5 | 122.1° | 118.4° |
| N1 | C6 | N6 | 118.4° | 120.8° |
| N3 | C2 | H2 | 120.7° | 118.7° |
| C2 | N3 | C4 | 117.6° | 120.7° |
| N3 | C4 | N9 | 129.6° | 135.0° |
| N3 | C4 | C5 | 128.0° | 119.1° |
| N9 | C4 | C5 | 102.4° | 106.0° |
| C4 | N9 | C8 | 106.9° | 107.4° |
| C4 | N9 | C15 | 119.7° | 126.3° |
| C4 | C5 | N7 | 112.4° | 107.2° |
| C4 | C5 | C6 | 112.3° | 118.2° |
| N7 | C5 | C6 | 135.3° | 134.7° |
| C5 | N7 | C8 | 103.3° | 109.5° |
| C5 | C6 | N6 | 119.4° | 120.8° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.1° |
| HN6 | N6 | HN6A | 109.4° | 120.0° |
| N7 | C8 | N9 | 115.0° | 110.0° |
| N7 | C8 | H8 | 122.5° | 125.0° |
| N9 | C8 | H8 | 122.5° | 125.0° |
| C8 | N9 | C15 | 133.4° | 126.3° |
| N9 | C15 | C16 | 118.7° | 110.4° |
| N9 | C15 | O22 | 108.3° | 110.4° |
| N9 | C15 | H15 | 102.0° | 110.3° |
| O1' | C1' | S81 | 114.0° | 120.0° |
| O1' | C1' | C2' | 123.7° | 120.0° |
| S81 | C1' | C2' | 122.3° | 120.0° |
| C1' | S81 | C73 | 118.9° | 100.0° |
| C1' | C2' | C3' | 115.8° | 109.5° |
| C1' | C2' | H2' | 107.4° | 109.5° |
| C1' | C2' | H2'A | 107.4° | 109.4° |
| C16 | C15 | O22 | 102.3° | 104.8° |
| C16 | C15 | H15 | 108.0° | 110.5° |
| C15 | C16 | C17 | 100.7° | 104.0° |
| C15 | C16 | O20 | 114.3° | 110.5° |
| C15 | C16 | H16 | 115.5° | 110.5° |
| O22 | C15 | H15 | 118.5° | 110.4° |
| C15 | O22 | C18 | 117.1° | 105.3° |
| C17 | C16 | O20 | 117.5° | 110.6° |
| C17 | C16 | H16 | 112.0° | 110.6° |
| C16 | C17 | O21 | 112.6° | 110.5° |
| C16 | C17 | C18 | 104.0° | 104.1° |
| C16 | C17 | H17 | 109.5° | 110.5° |
| O20 | C16 | H16 | 97.7° | 110.4° |
| C16 | O20 | HO20 | 109.5° | 114.0° |
| O21 | C17 | C18 | 104.2° | 110.6° |
| O21 | C17 | H17 | 109.2° | 110.6° |
| C17 | O21 | P39 | 151.2° | 123.0° |
| C18 | C17 | H17 | 117.2° | 110.5° |
| C17 | C18 | O22 | 103.3° | 104.8° |
| C17 | C18 | C19 | 121.2° | 110.4° |
| C17 | C18 | H18 | 102.7° | 110.3° |
| O22 | C18 | C19 | 95.9° | 110.4° |
| O22 | C18 | H18 | 125.8° | 110.4° |
| C19 | C18 | H18 | 109.4° | 110.4° |
| C18 | C19 | O23 | 119.7° | 109.5° |
| C18 | C19 | H19 | 106.2° | 109.5° |
| C18 | C19 | H19A | 106.2° | 109.4° |
| O23 | C19 | H19 | 106.2° | 109.5° |
| O23 | C19 | H19A | 106.2° | 109.5° |
| C19 | O23 | P31 | 128.0° | 123.0° |
| H19 | C19 | H19A | 112.6° | 109.5° |
| C3' | C2' | H2' | 107.4° | 109.4° |
| C3' | C2' | H2'A | 107.4° | 109.5° |
| C2' | C3' | O3' | 108.4° | 109.5° |
| C2' | C3' | C4' | 108.7° | 109.5° |
| C2' | C3' | H3' | 111.2° | 109.5° |
| H2' | C2' | H2'A | 111.4° | 109.5° |
| O21 | P39 | O41 | 106.0° | 109.5° |
| O21 | P39 | O42 | 104.0° | 109.5° |
| O21 | P39 | O40 | 105.4° | 109.5° |
| O23 | P31 | O32 | 100.2° | 109.4° |
| O23 | P31 | O33 | 107.0° | 109.5° |
| O23 | P31 | O34 | 111.2° | 109.5° |
| O3' | C3' | C4' | 111.2° | 109.5° |
| O3' | C3' | H3' | 108.8° | 109.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 108.5° | 109.4° |
| C3' | C4' | C5' | 121.2° | 109.5° |
| C3' | C4' | H4' | 105.8° | 109.4° |
| C3' | C4' | H4'A | 105.7° | 109.5° |
| O32 | P31 | O33 | 112.2° | 109.5° |
| O32 | P31 | O34 | 108.9° | 109.5° |
| P31 | O32 | P35 | 127.4° | 134.0° |
| O33 | P31 | O34 | 116.3° | 109.5° |
| P31 | O34 | HO34 | 109.5° | 114.0° |
| O32 | P35 | O36 | 103.5° | 109.5° |
| O32 | P35 | O37 | 114.2° | 109.5° |
| O32 | P35 | O38 | 115.8° | 109.5° |
| O36 | P35 | O37 | 105.0° | 109.5° |
| O36 | P35 | O38 | 110.7° | 109.5° |
| O37 | P35 | O38 | 107.0° | 109.4° |
| P35 | O37 | HO37 | 109.5° | 114.0° |
| P35 | O38 | C46 | 130.3° | 123.0° |
| O38 | C46 | C45 | 126.9° | 109.5° |
| O38 | C46 | H46 | 104.0° | 109.5° |
| O38 | C46 | H46A | 104.0° | 109.5° |
| O41 | P39 | O42 | 112.9° | 109.5° |
| O41 | P39 | O40 | 113.5° | 109.4° |
| O42 | P39 | O40 | 113.9° | 109.5° |
| P39 | O42 | HO42 | 109.5° | 114.0° |
| P39 | O40 | HO40 | 109.5° | 114.0° |
| C5' | C4' | H4' | 105.7° | 109.4° |
| C5' | C4' | H4'A | 105.8° | 109.5° |
| C4' | C5' | O4' | 118.0° | 120.0° |
| C4' | C5' | O5' | 120.6° | 120.0° |
| H4' | C4' | H4'A | 112.9° | 109.5° |
| O4' | C5' | O5' | 121.4° | 120.0° |
| O51 | C43 | N68 | 121.8° | 120.0° |
| O51 | C43 | C44 | 125.6° | 120.0° |
| N68 | C43 | C44 | 112.6° | 120.0° |
| C43 | N68 | C62 | 126.0° | 120.0° |
| C43 | N68 | HN68 | 117.0° | 120.0° |
| C43 | C44 | C45 | 119.9° | 109.5° |
| C43 | C44 | O52 | 101.6° | 109.5° |
| C43 | C44 | H44 | 108.5° | 109.5° |
| C45 | C44 | O52 | 110.6° | 109.4° |
| C45 | C44 | H44 | 99.1° | 109.5° |
| C44 | C45 | C46 | 114.8° | 109.5° |
| C44 | C45 | C57 | 110.5° | 109.4° |
| C44 | C45 | C53 | 109.8° | 109.5° |
| O52 | C44 | H44 | 118.2° | 109.5° |
| C44 | O52 | HO52 | 109.5° | 114.0° |
| C46 | C45 | C57 | 110.9° | 109.5° |
| C46 | C45 | C53 | 103.8° | 109.5° |
| C45 | C46 | H46 | 104.0° | 109.4° |
| C45 | C46 | H46A | 104.0° | 109.5° |
| C57 | C45 | C53 | 106.5° | 109.4° |
| C45 | C57 | H57 | 109.5° | 109.4° |
| C45 | C57 | H57A | 109.4° | 109.5° |
| C45 | C57 | H57B | 109.5° | 109.5° |
| C45 | C53 | H53 | 109.5° | 109.5° |
| C45 | C53 | H53A | 109.5° | 109.5° |
| C45 | C53 | H53B | 109.5° | 109.5° |
| H46 | C46 | H46A | 114.3° | 109.4° |
| C5' | O5' | HO5' | 109.5° | 117.0° |
| H53 | C53 | H53A | 109.4° | 109.4° |
| H53 | C53 | H53B | 109.4° | 109.4° |
| H53A | C53 | H53B | 109.5° | 109.5° |
| H57 | C57 | H57A | 109.4° | 109.5° |
| H57 | C57 | H57B | 109.5° | 109.4° |
| H57A | C57 | H57B | 109.5° | 109.5° |
| C62 | C61 | C69 | 121.8° | 109.4° |
| C62 | C61 | H61 | 105.6° | 109.4° |
| C62 | C61 | H61A | 105.6° | 109.5° |
| C61 | C62 | N68 | 107.1° | 109.4° |
| C61 | C62 | H62 | 110.2° | 109.5° |
| C61 | C62 | H62A | 110.3° | 109.5° |
| C69 | C61 | H61 | 105.6° | 109.5° |
| C69 | C61 | H61A | 105.6° | 109.5° |
| C61 | C69 | O72 | 118.7° | 120.0° |
| C61 | C69 | N71 | 112.2° | 120.0° |
| H61 | C61 | H61A | 113.1° | 109.5° |
| N68 | C62 | H62 | 110.3° | 109.5° |
| N68 | C62 | H62A | 110.2° | 109.4° |
| C62 | N68 | HN68 | 117.0° | 120.0° |
| H62 | C62 | H62A | 108.7° | 109.5° |
| O72 | C69 | N71 | 129.2° | 120.0° |
| C69 | N71 | C74 | 135.5° | 120.0° |
| C69 | N71 | HN71 | 112.3° | 120.0° |
| N71 | C74 | C73 | 121.8° | 109.4° |
| N71 | C74 | H74 | 105.6° | 109.5° |
| N71 | C74 | H74A | 105.6° | 109.4° |
| C74 | N71 | HN71 | 112.2° | 120.0° |
| C74 | C73 | S81 | 113.7° | 109.5° |
| C74 | C73 | H73 | 108.1° | 109.5° |
| C74 | C73 | H73A | 108.1° | 109.5° |
| C73 | C74 | H74 | 105.6° | 109.5° |
| C73 | C74 | H74A | 105.5° | 109.5° |
| S81 | C73 | H73 | 108.1° | 109.5° |
| S81 | C73 | H73A | 108.1° | 109.4° |
| H73 | C73 | H73A | 110.8° | 109.5° |
| H74 | C74 | H74A | 113.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.1° |
| C2 | N1 | C6 | N6 | 179.8° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.8° | 0.1° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| N1 | C6 | C5 | N6 | 179.8° | 179.9° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.1° |
| N1 | C6 | N6 | HN6A | 120.0° | 179.9° |
| C2 | N3 | C4 | N9 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.7° | 0.0° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C4 | N9 | C5 | 179.5° | 180.0° |
| N3 | C4 | C5 | N7 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 1.0° | 0.1° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N3 | C4 | N9 | C15 | 1.1° | 0.1° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| N9 | C4 | C5 | C6 | 179.6° | 179.9° |
| C4 | N9 | C8 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | C15 | 179.2° | 179.9° |
| C4 | N9 | C8 | H8 | 179.9° | 179.9° |
| C4 | N9 | C15 | C16 | 131.1° | 88.2° |
| C4 | N9 | C15 | O22 | 113.0° | 156.5° |
| C4 | N9 | C15 | H15 | 12.7° | 34.1° |
| C4 | C5 | N7 | C6 | 179.1° | 179.9° |
| C4 | C5 | C6 | N6 | 179.4° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C15 | 179.5° | 179.9° |
| N7 | C5 | C6 | N6 | 0.3° | 0.1° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H8 | 179.9° | 179.9° |
| C5 | C6 | N6 | HN6 | 179.8° | 180.0° |
| C5 | C6 | N6 | HN6A | 60.2° | 0.0° |
| C6 | C5 | N7 | C8 | 179.3° | 179.9° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C15 | 179.2° | 179.9° |
| C8 | N9 | C15 | C16 | 49.8° | 91.9° |
| C8 | N9 | C15 | O22 | 66.0° | 23.4° |
| C8 | N9 | C15 | H15 | 168.3° | 145.7° |
| H8 | C8 | N9 | C15 | 0.8° | 0.1° |
| N9 | C15 | C16 | O22 | 119.0° | 118.8° |
| N9 | C15 | C16 | H15 | 115.3° | 122.2° |
| N9 | C15 | O22 | H15 | 115.3° | 122.2° |
| N9 | C15 | C16 | C17 | 151.6° | 142.8° |
| N9 | C15 | C16 | O20 | 81.4° | 98.4° |
| N9 | C15 | C16 | H16 | 30.8° | 24.1° |
| N9 | C15 | O22 | C18 | 148.2° | 159.3° |
| O1' | C1' | S81 | C2' | 179.3° | 180.0° |
| O1' | C1' | C2' | C3' | 88.8° | 0.0° |
| O1' | C1' | C2' | H2' | 31.2° | 120.0° |
| O1' | C1' | C2' | H2'A | 151.2° | 120.0° |
| O1' | C1' | S81 | C73 | 0.2° | 0.0° |
| S81 | C1' | C2' | C3' | 90.4° | 180.0° |
| S81 | C1' | C2' | H2' | 149.6° | 60.0° |
| S81 | C1' | C2' | H2'A | 29.6° | 60.0° |
| C1' | S81 | C73 | C74 | 95.4° | 180.0° |
| C1' | S81 | C73 | H73 | 144.6° | 59.9° |
| C1' | S81 | C73 | H73A | 24.6° | 60.0° |
| C1' | C2' | C3' | H2' | 120.0° | 120.0° |
| C1' | C2' | C3' | H2'A | 120.0° | 120.0° |
| C1' | C2' | H2' | H2'A | 117.4° | 120.0° |
| C1' | C2' | C3' | O3' | 59.1° | 65.0° |
| C1' | C2' | C3' | C4' | 179.9° | 174.9° |
| C1' | C2' | C3' | H3' | 60.5° | 55.0° |
| C2' | C1' | S81 | C73 | 179.1° | 180.0° |
| C16 | C15 | O22 | H15 | 118.6° | 118.9° |
| C15 | C16 | C17 | O20 | 124.8° | 118.7° |
| C15 | C16 | C17 | H16 | 123.2° | 118.6° |
| C15 | C16 | O20 | H16 | 122.5° | 122.6° |
| C15 | C16 | C17 | O21 | 78.6° | 118.7° |
| C15 | C16 | C17 | C18 | 33.6° | 0.0° |
| C15 | C16 | C17 | H17 | 159.7° | 118.6° |
| C16 | C15 | O22 | C18 | 22.1° | 40.5° |
| C15 | C16 | O20 | HO20 | 180.0° | 61.5° |
| O22 | C15 | C16 | C17 | 32.7° | 24.0° |
| O22 | C15 | C16 | O20 | 159.6° | 142.8° |
| O22 | C15 | C16 | H16 | 88.2° | 94.7° |
| C15 | O22 | C18 | C17 | 0.1° | 40.5° |
| C15 | O22 | C18 | C19 | 124.2° | 159.4° |
| C15 | O22 | C18 | H18 | 116.7° | 78.3° |
| H15 | C15 | C16 | C17 | 93.1° | 94.9° |
| H15 | C15 | C16 | O20 | 33.9° | 23.8° |
| H15 | C15 | C16 | H16 | 146.1° | 146.4° |
| H15 | C15 | O22 | C18 | 96.4° | 78.4° |
| C17 | C16 | O20 | H16 | 119.9° | 122.7° |
| C16 | C17 | O21 | C18 | 112.1° | 114.7° |
| C16 | C17 | O21 | H17 | 121.9° | 122.6° |
| C16 | C17 | C18 | H17 | 121.0° | 118.6° |
| C16 | C17 | C18 | O22 | 21.5° | 24.0° |
| C16 | C17 | C18 | C19 | 84.0° | 142.8° |
| C16 | C17 | C18 | H18 | 153.6° | 94.9° |
| C17 | C16 | O20 | HO20 | 62.3° | 176.2° |
| C16 | C17 | O21 | P39 | 108.4° | 121.4° |
| O20 | C16 | C17 | O21 | 46.2° | 0.0° |
| O20 | C16 | C17 | C18 | 158.4° | 118.7° |
| O20 | C16 | C17 | H17 | 75.6° | 122.7° |
| H16 | C16 | C17 | O21 | 158.2° | 122.7° |
| H16 | C16 | C17 | C18 | 89.6° | 118.6° |
| H16 | C16 | C17 | H17 | 36.4° | 0.0° |
| H16 | C16 | O20 | HO20 | 57.5° | 61.1° |
| O21 | C17 | C18 | H17 | 120.8° | 122.7° |
| O21 | C17 | C18 | O22 | 96.6° | 142.6° |
| O21 | C17 | C18 | C19 | 157.8° | 98.5° |
| O21 | C17 | C18 | H18 | 35.4° | 23.8° |
| C17 | O21 | P39 | O41 | 15.4° | 55.0° |
| C17 | O21 | P39 | O42 | 134.6° | 65.0° |
| C17 | O21 | P39 | O40 | 105.2° | 175.0° |
| C17 | C18 | O22 | C19 | 124.1° | 118.8° |
| C17 | C18 | O22 | H18 | 116.8° | 118.8° |
| C17 | C18 | C19 | H18 | 119.1° | 122.2° |
| C17 | C18 | C19 | O23 | 0.1° | 175.0° |
| C17 | C18 | C19 | H19 | 119.9° | 55.0° |
| C17 | C18 | C19 | H19A | 120.1° | 65.0° |
| C18 | C17 | O21 | P39 | 139.5° | 123.9° |
| H17 | C17 | C18 | O22 | 142.5° | 94.6° |
| H17 | C17 | C18 | C19 | 37.0° | 24.2° |
| H17 | C17 | C18 | H18 | 85.4° | 146.5° |
| H17 | C17 | O21 | P39 | 13.4° | 1.2° |
| O22 | C18 | C19 | H18 | 131.3° | 122.4° |
| O22 | C18 | C19 | O23 | 109.6° | 69.6° |
| O22 | C18 | C19 | H19 | 10.4° | 170.4° |
| O22 | C18 | C19 | H19A | 130.4° | 50.4° |
| C18 | C19 | O23 | H19 | 120.0° | 120.0° |
| C18 | C19 | O23 | H19A | 120.0° | 120.0° |
| C18 | C19 | H19 | H19A | 115.8° | 120.0° |
| C18 | C19 | O23 | P31 | 151.6° | 180.0° |
| H18 | C18 | C19 | O23 | 119.1° | 52.8° |
| H18 | C18 | C19 | H19 | 121.0° | 67.3° |
| H18 | C18 | C19 | H19A | 0.9° | 172.7° |
| O23 | C19 | H19 | H19A | 115.8° | 120.0° |
| C19 | O23 | P31 | O32 | 35.5° | 175.0° |
| C19 | O23 | P31 | O33 | 152.6° | 55.0° |
| C19 | O23 | P31 | O34 | 79.4° | 65.1° |
| H19 | C19 | O23 | P31 | 88.4° | 60.0° |
| H19A | C19 | O23 | P31 | 31.6° | 60.0° |
| C3' | C2' | H2' | H2'A | 117.4° | 120.0° |
| C2' | C3' | O3' | C4' | 119.4° | 120.0° |
| C2' | C3' | O3' | H3' | 121.1° | 120.0° |
| C2' | C3' | C4' | H3' | 121.1° | 120.0° |
| C2' | C3' | O3' | HO3' | 180.0° | 60.0° |
| C2' | C3' | C4' | C5' | 62.0° | 175.0° |
| C2' | C3' | C4' | H4' | 58.0° | 65.0° |
| C2' | C3' | C4' | H4'A | 178.0° | 54.9° |
| H2' | C2' | C3' | O3' | 60.9° | 55.0° |
| H2' | C2' | C3' | C4' | 60.1° | 65.1° |
| H2' | C2' | C3' | H3' | 179.5° | 175.0° |
| H2'A | C2' | C3' | O3' | 179.1° | 175.0° |
| H2'A | C2' | C3' | C4' | 59.9° | 55.0° |
| H2'A | C2' | C3' | H3' | 59.5° | 65.0° |
| O21 | P39 | O41 | O42 | 113.3° | 120.0° |
| O21 | P39 | O41 | O40 | 115.2° | 120.0° |
| O21 | P39 | O42 | O40 | 114.2° | 120.0° |
| O21 | P39 | O40 | HO40 | 115.5° | 180.0° |
| O21 | P39 | O42 | HO42 | 114.4° | 60.0° |
| O23 | P31 | O32 | O33 | 113.1° | 120.0° |
| O23 | P31 | O32 | O34 | 116.7° | 120.0° |
| O23 | P31 | O33 | O34 | 124.9° | 120.0° |
| O23 | P31 | O32 | P35 | 92.9° | 165.0° |
| O23 | P31 | O34 | HO34 | 122.7° | 60.0° |
| O3' | C3' | C4' | H3' | 119.6° | 120.0° |
| O3' | C3' | C4' | C5' | 57.3° | 65.0° |
| O3' | C3' | C4' | H4' | 177.3° | 55.0° |
| O3' | C3' | C4' | H4'A | 62.7° | 174.9° |
| C4' | C3' | O3' | HO3' | 60.6° | 60.0° |
| C3' | C4' | C5' | H4' | 120.0° | 119.9° |
| C3' | C4' | C5' | H4'A | 120.0° | 120.1° |
| C3' | C4' | H4' | H4'A | 115.1° | 120.0° |
| C3' | C4' | C5' | O4' | 99.5° | 0.0° |
| C3' | C4' | C5' | O5' | 79.6° | 179.9° |
| H3' | C3' | O3' | HO3' | 58.9° | 180.0° |
| H3' | C3' | C4' | C5' | 176.9° | 55.1° |
| H3' | C3' | C4' | H4' | 63.1° | 175.0° |
| H3' | C3' | C4' | H4'A | 56.9° | 65.0° |
| O32 | P31 | O33 | O34 | 126.2° | 120.0° |
| O32 | P31 | O34 | HO34 | 127.9° | 59.9° |
| P31 | O32 | P35 | O36 | 102.7° | 40.0° |
| P31 | O32 | P35 | O37 | 143.7° | 80.0° |
| P31 | O32 | P35 | O38 | 18.6° | 160.0° |
| O33 | P31 | O32 | P35 | 154.0° | 45.0° |
| O33 | P31 | O34 | HO34 | 0.0° | 179.9° |
| O34 | P31 | O32 | P35 | 23.8° | 75.0° |
| O32 | P35 | O36 | O37 | 120.1° | 120.0° |
| O32 | P35 | O36 | O38 | 124.7° | 120.0° |
| O32 | P35 | O37 | O38 | 129.6° | 120.0° |
| O32 | P35 | O37 | HO37 | 112.7° | 59.9° |
| O32 | P35 | O38 | C46 | 117.7° | 175.0° |
| O36 | P35 | O37 | O38 | 117.7° | 120.0° |
| O36 | P35 | O37 | HO37 | 0.0° | 180.0° |
| O36 | P35 | O38 | C46 | 0.3° | 55.0° |
| O37 | P35 | O38 | C46 | 113.7° | 65.0° |
| O38 | P35 | O37 | HO37 | 117.7° | 60.0° |
| P35 | O38 | C46 | C45 | 113.6° | 179.9° |
| P35 | O38 | C46 | H46 | 6.4° | 60.0° |
| P35 | O38 | C46 | H46A | 126.4° | 60.0° |
| O38 | C46 | C45 | C44 | 178.4° | 180.0° |
| O38 | C46 | C45 | H46 | 120.0° | 120.0° |
| O38 | C46 | C45 | H46A | 120.0° | 120.1° |
| O38 | C46 | C45 | C57 | 55.5° | 60.0° |
| O38 | C46 | C45 | C53 | 58.5° | 60.0° |
| O38 | C46 | H46 | H46A | 112.8° | 120.1° |
| O41 | P39 | O42 | O40 | 131.4° | 120.0° |
| O41 | P39 | O40 | HO40 | 0.0° | 60.0° |
| O41 | P39 | O42 | HO42 | 0.0° | 180.0° |
| O42 | P39 | O40 | HO40 | 131.0° | 60.0° |
| O40 | P39 | O42 | HO42 | 131.4° | 60.0° |
| C5' | C4' | H4' | H4'A | 115.2° | 120.0° |
| C4' | C5' | O4' | O5' | 179.1° | 180.0° |
| C4' | C5' | O5' | HO5' | 179.1° | 180.0° |
| H4' | C4' | C5' | O4' | 20.5° | 120.0° |
| H4' | C4' | C5' | O5' | 160.3° | 60.0° |
| H4'A | C4' | C5' | O4' | 140.5° | 120.0° |
| H4'A | C4' | C5' | O5' | 40.3° | 60.0° |
| O4' | C5' | O5' | HO5' | 0.0° | 0.1° |
| O51 | C43 | N68 | C44 | 180.0° | 179.9° |
| O51 | C43 | C44 | C45 | 14.3° | 105.4° |
| O51 | C43 | C44 | O52 | 107.8° | 14.5° |
| O51 | C43 | C44 | H44 | 126.9° | 134.5° |
| O51 | C43 | N68 | C62 | 0.1° | 5.0° |
| O51 | C43 | N68 | HN68 | 179.9° | 175.0° |
| N68 | C43 | C44 | C45 | 165.7° | 74.5° |
| N68 | C43 | C44 | O52 | 72.2° | 165.6° |
| N68 | C43 | C44 | H44 | 53.1° | 45.6° |
| C43 | N68 | C62 | C61 | 149.3° | 180.0° |
| C43 | N68 | C62 | HN68 | 180.0° | 180.0° |
| C43 | N68 | C62 | H62 | 90.8° | 60.0° |
| C43 | N68 | C62 | H62A | 29.3° | 60.0° |
| C43 | C44 | C45 | O52 | 117.6° | 120.0° |
| C43 | C44 | C45 | H44 | 117.6° | 120.0° |
| C43 | C44 | O52 | H44 | 118.5° | 120.0° |
| C43 | C44 | C45 | C46 | 63.1° | 54.2° |
| C43 | C44 | C45 | C57 | 63.2° | 65.7° |
| C43 | C44 | C45 | C53 | 179.6° | 174.3° |
| C43 | C44 | O52 | HO52 | 180.0° | 60.0° |
| C44 | C43 | N68 | C62 | 179.9° | 175.1° |
| C44 | C43 | N68 | HN68 | 0.1° | 4.9° |
| C45 | C44 | O52 | H44 | 113.2° | 120.0° |
| C44 | C45 | C46 | C57 | 126.1° | 120.0° |
| C44 | C45 | C46 | C53 | 119.9° | 120.0° |
| C44 | C45 | C57 | C53 | 119.2° | 120.0° |
| C44 | C45 | C46 | H46 | 61.6° | 60.0° |
| C44 | C45 | C46 | H46A | 58.4° | 59.9° |
| C45 | C44 | O52 | HO52 | 51.6° | 60.0° |
| C44 | C45 | C53 | H53 | 180.0° | 54.7° |
| C44 | C45 | C53 | H53A | 60.0° | 174.7° |
| C44 | C45 | C53 | H53B | 60.0° | 65.3° |
| C44 | C45 | C57 | H57 | 180.0° | 65.9° |
| C44 | C45 | C57 | H57A | 60.0° | 174.1° |
| C44 | C45 | C57 | H57B | 60.0° | 54.1° |
| O52 | C44 | C45 | C46 | 179.3° | 65.7° |
| O52 | C44 | C45 | C57 | 54.4° | 174.3° |
| O52 | C44 | C45 | C53 | 62.8° | 54.3° |
| H44 | C44 | C45 | C46 | 54.5° | 174.3° |
| H44 | C44 | C45 | C57 | 179.2° | 54.3° |
| H44 | C44 | C45 | C53 | 62.1° | 65.7° |
| H44 | C44 | O52 | HO52 | 61.5° | 180.0° |
| C46 | C45 | C57 | C53 | 112.3° | 120.0° |
| C45 | C46 | H46 | H46A | 112.7° | 119.9° |
| C46 | C45 | C53 | H53 | 56.8° | 174.8° |
| C46 | C45 | C53 | H53A | 176.8° | 65.2° |
| C46 | C45 | C53 | H53B | 63.2° | 54.8° |
| C46 | C45 | C57 | H57 | 51.5° | 54.1° |
| C46 | C45 | C57 | H57A | 68.5° | 65.8° |
| C46 | C45 | C57 | H57B | 171.5° | 174.1° |
| C57 | C45 | C46 | H46 | 64.5° | 180.0° |
| C57 | C45 | C46 | H46A | 175.5° | 60.1° |
| C57 | C45 | C53 | H53 | 60.4° | 65.2° |
| C57 | C45 | C53 | H53A | 59.6° | 54.7° |
| C57 | C45 | C53 | H53B | 179.6° | 174.8° |
| C45 | C57 | H57 | H57A | 120.0° | 120.0° |
| C45 | C57 | H57 | H57B | 120.0° | 120.0° |
| C45 | C57 | H57A | H57B | 120.0° | 120.1° |
| C53 | C45 | C46 | H46 | 178.6° | 60.0° |
| C53 | C45 | C46 | H46A | 61.4° | 179.9° |
| C45 | C53 | H53 | H53A | 120.0° | 120.0° |
| C45 | C53 | H53 | H53B | 120.0° | 120.0° |
| C45 | C53 | H53A | H53B | 120.0° | 120.0° |
| C53 | C45 | C57 | H57 | 60.9° | 174.1° |
| C53 | C45 | C57 | H57A | 179.2° | 54.2° |
| C53 | C45 | C57 | H57B | 59.2° | 65.9° |
| H53 | C53 | H53A | H53B | 119.9° | 119.9° |
| H57 | C57 | H57A | H57B | 120.0° | 120.0° |
| C62 | C61 | C69 | H61 | 120.0° | 119.9° |
| C62 | C61 | C69 | H61A | 120.0° | 120.0° |
| C62 | C61 | H61 | H61A | 114.9° | 120.0° |
| C61 | C62 | N68 | H62 | 120.0° | 120.0° |
| C61 | C62 | N68 | H62A | 120.0° | 120.0° |
| C61 | C62 | H62 | H62A | 121.0° | 120.0° |
| C61 | C62 | N68 | HN68 | 30.8° | 0.0° |
| C62 | C61 | C69 | O72 | 0.0° | 0.0° |
| C62 | C61 | C69 | N71 | 179.5° | 180.0° |
| C69 | C61 | H61 | H61A | 114.9° | 120.0° |
| C69 | C61 | C62 | N68 | 117.3° | 180.0° |
| C69 | C61 | C62 | H62 | 2.7° | 60.0° |
| C69 | C61 | C62 | H62A | 122.7° | 60.0° |
| C61 | C69 | O72 | N71 | 179.4° | 180.0° |
| C61 | C69 | N71 | C74 | 167.2° | 180.0° |
| C61 | C69 | N71 | HN71 | 12.8° | 0.1° |
| H61 | C61 | C62 | N68 | 2.7° | 60.0° |
| H61 | C61 | C62 | H62 | 122.7° | 60.0° |
| H61 | C61 | C62 | H62A | 117.3° | 180.0° |
| H61 | C61 | C69 | O72 | 120.0° | 119.9° |
| H61 | C61 | C69 | N71 | 60.5° | 60.0° |
| H61A | C61 | C62 | N68 | 122.7° | 60.0° |
| H61A | C61 | C62 | H62 | 117.3° | 180.0° |
| H61A | C61 | C62 | H62A | 2.7° | 59.9° |
| H61A | C61 | C69 | O72 | 120.0° | 120.0° |
| H61A | C61 | C69 | N71 | 59.5° | 60.0° |
| N68 | C62 | H62 | H62A | 120.9° | 120.0° |
| H62 | C62 | N68 | HN68 | 89.2° | 120.0° |
| H62A | C62 | N68 | HN68 | 150.8° | 120.0° |
| O72 | C69 | N71 | C74 | 12.3° | 0.0° |
| O72 | C69 | N71 | HN71 | 167.8° | 179.9° |
| C69 | N71 | C74 | HN71 | 180.0° | 179.9° |
| C69 | N71 | C74 | C73 | 179.2° | 180.0° |
| C69 | N71 | C74 | H74 | 59.2° | 59.9° |
| C69 | N71 | C74 | H74A | 60.8° | 60.0° |
| N71 | C74 | C73 | H74 | 120.0° | 120.0° |
| N71 | C74 | C73 | H74A | 120.0° | 119.9° |
| N71 | C74 | C73 | S81 | 111.0° | 180.0° |
| N71 | C74 | C73 | H73 | 9.1° | 60.0° |
| N71 | C74 | C73 | H73A | 129.0° | 60.1° |
| N71 | C74 | H74 | H74A | 114.9° | 119.9° |
| C74 | C73 | S81 | H73 | 120.0° | 120.1° |
| C74 | C73 | S81 | H73A | 120.0° | 120.0° |
| C74 | C73 | H73 | H73A | 118.3° | 120.0° |
| C73 | C74 | H74 | H74A | 114.9° | 120.1° |
| C73 | C74 | N71 | HN71 | 0.8° | 0.1° |
| S81 | C73 | H73 | H73A | 118.3° | 119.9° |
| S81 | C73 | C74 | H74 | 129.0° | 60.0° |
| S81 | C73 | C74 | H74A | 9.1° | 60.1° |
| H73 | C73 | C74 | H74 | 111.0° | 180.0° |
| H73 | C73 | C74 | H74A | 129.1° | 60.0° |
| H73A | C73 | C74 | H74 | 9.0° | 60.0° |
| H73A | C73 | C74 | H74A | 110.9° | 180.0° |
| H74 | C74 | N71 | HN71 | 120.8° | 120.0° |
| H74A | C74 | N71 | HN71 | 119.2° | 120.0° |
