NBC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P31 | O33 | sing | 1.62Å | 1.49Å | |
| P31 | O34 | doub | 1.50Å | 1.51Å | |
| P31 | O23 | sing | 1.62Å | 1.60Å | |
| P31 | O32 | sing | 1.62Å | 1.65Å | |
| O33 | H28 | sing | 0.98Å | 0.95Å | |
| O23 | C19 | sing | 1.42Å | 1.43Å | |
| C19 | C18 | sing | 1.52Å | 1.60Å | |
| C19 | H29 | sing | 1.09Å | 1.11Å | |
| C19 | H30 | sing | 1.09Å | 1.12Å | |
| C18 | O22 | sing | 1.44Å | 1.44Å | |
| C18 | C17 | sing | 1.52Å | 1.56Å | |
| C18 | H36 | sing | 1.10Å | 1.12Å | |
| O22 | C15 | sing | 1.44Å | 1.44Å | |
| C15 | N9 | sing | 1.46Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H37 | sing | 1.10Å | 1.12Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.41Å | Aromatic |
| C4 | N3 | doub | 1.34Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.45Å | Aromatic |
| N3 | C2 | sing | 1.35Å | 1.46Å | Aromatic |
| C2 | N1 | doub | 1.36Å | 1.40Å | Aromatic |
| C2 | H39 | sing | 1.08Å | 1.10Å | |
| N1 | C6 | sing | 1.36Å | 1.49Å | Aromatic |
| C6 | N6 | sing | 1.41Å | 1.33Å | |
| C6 | C5 | doub | 1.39Å | 1.50Å | Aromatic |
| N6 | H40 | sing | 1.00Å | 1.02Å | |
| N6 | H41 | sing | 1.00Å | 1.02Å | |
| C5 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.30Å | Aromatic |
| C8 | H38 | sing | 1.08Å | 1.10Å | |
| C16 | O20 | sing | 1.43Å | 1.44Å | |
| C16 | C17 | sing | 1.52Å | 1.59Å | |
| C16 | H34 | sing | 1.09Å | 1.11Å | |
| O20 | H35 | sing | 0.97Å | 0.95Å | |
| C17 | O21 | sing | 1.41Å | 1.47Å | |
| C17 | H31 | sing | 1.10Å | 1.12Å | |
| O21 | P39 | sing | 1.61Å | 1.64Å | |
| P39 | O40 | doub | 1.50Å | 1.52Å | |
| P39 | O41 | sing | 1.62Å | 1.53Å | |
| P39 | O42 | sing | 1.62Å | 1.52Å | |
| O41 | H33 | sing | 0.98Å | 0.95Å | |
| O42 | H32 | sing | 0.98Å | 0.95Å | |
| O32 | P35 | sing | 1.62Å | 1.67Å | |
| P35 | O36 | doub | 1.50Å | 1.56Å | |
| P35 | O37 | sing | 1.62Å | 1.52Å | |
| P35 | O38 | sing | 1.61Å | 1.65Å | |
| O37 | H27 | sing | 0.98Å | 0.95Å | |
| O38 | C46 | sing | 1.42Å | 1.46Å | |
| C46 | C45 | sing | 1.55Å | 1.54Å | |
| C46 | H25 | sing | 1.09Å | 1.11Å | |
| C46 | H26 | sing | 1.10Å | 1.11Å | |
| C45 | C53 | sing | 1.55Å | 1.55Å | |
| C45 | C57 | sing | 1.54Å | 1.50Å | |
| C45 | C44 | sing | 1.56Å | 1.58Å | |
| C53 | H22 | sing | 1.10Å | 1.11Å | |
| C53 | H23 | sing | 1.10Å | 1.12Å | |
| C53 | H24 | sing | 1.10Å | 1.12Å | |
| C57 | H19 | sing | 1.10Å | 1.11Å | |
| C57 | H20 | sing | 1.10Å | 1.12Å | |
| C57 | H21 | sing | 1.09Å | 1.12Å | |
| C44 | O52 | sing | 1.43Å | 1.44Å | |
| C44 | C43 | sing | 1.53Å | 1.61Å | |
| C44 | H18 | sing | 1.10Å | 1.11Å | |
| O52 | H17 | sing | 0.97Å | 0.95Å | |
| C43 | O51 | doub | 1.23Å | 1.24Å | |
| C43 | N68 | sing | 1.39Å | 1.40Å | |
| N68 | C62 | sing | 1.44Å | 1.43Å | |
| N68 | H16 | sing | 1.02Å | 1.02Å | |
| C62 | C61 | sing | 1.52Å | 1.52Å | |
| C62 | H14 | sing | 1.10Å | 1.12Å | |
| C62 | H15 | sing | 1.10Å | 1.12Å | |
| C61 | C69 | sing | 1.52Å | 1.55Å | |
| C61 | H12 | sing | 1.10Å | 1.11Å | |
| C61 | H13 | sing | 1.10Å | 1.11Å | |
| C69 | O72 | doub | 1.23Å | 1.28Å | |
| C69 | N71 | sing | 1.39Å | 1.46Å | |
| N71 | C74 | sing | 1.44Å | 1.46Å | |
| N71 | H11 | sing | 1.02Å | 1.02Å | |
| C74 | C73 | sing | 1.52Å | 1.48Å | |
| C74 | H91 | sing | 1.10Å | 1.12Å | |
| C74 | H10 | sing | 1.09Å | 1.12Å | |
| C73 | S81 | sing | 1.82Å | 1.86Å | |
| C73 | H71 | sing | 1.09Å | 1.11Å | |
| C73 | H81 | sing | 1.09Å | 1.12Å | |
| S81 | C1' | sing | 1.77Å | 1.88Å | |
| C1' | O1' | doub | 1.22Å | 1.24Å | |
| C1' | C2' | sing | 1.52Å | 1.52Å | |
| C2' | C3' | sing | 1.53Å | 1.50Å | |
| C2' | H51 | sing | 1.10Å | 1.11Å | |
| C2' | H61 | sing | 1.10Å | 1.11Å | |
| C3' | C4' | sing | 1.52Å | 1.51Å | |
| C3' | H31A | sing | 1.10Å | 1.11Å | |
| C3' | H41A | sing | 1.10Å | 1.12Å | |
| C4' | N5' | sing | 1.47Å | 1.42Å | |
| C4' | H11A | sing | 1.09Å | 1.12Å | |
| C4' | H21A | sing | 1.09Å | 1.11Å | |
| N5' | O2' | doub | 1.24Å | 1.33Å | |
| N5' | O3' | sing | 1.24Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | P31 | O34 | 116.2° | 114.4° |
| O33 | P31 | O23 | 109.9° | 104.4° |
| O33 | P31 | O32 | 110.6° | 103.2° |
| P31 | O33 | H28 | 116.2° | 118.9° |
| O34 | P31 | O23 | 107.5° | 114.8° |
| O34 | P31 | O32 | 106.9° | 114.2° |
| O23 | P31 | O32 | 105.3° | 104.5° |
| P31 | O23 | C19 | 126.3° | 120.0° |
| P31 | O32 | P35 | 126.6° | 131.0° |
| O23 | C19 | C18 | 115.5° | 109.0° |
| O23 | C19 | H29 | 110.0° | 108.8° |
| O23 | C19 | H30 | 110.0° | 108.8° |
| C18 | C19 | H29 | 110.0° | 110.5° |
| C18 | C19 | H30 | 110.0° | 110.5° |
| C19 | C18 | O22 | 102.9° | 109.8° |
| C19 | C18 | C17 | 116.7° | 113.5° |
| C19 | C18 | H36 | 108.5° | 108.7° |
| H29 | C19 | H30 | 100.2° | 109.1° |
| O22 | C18 | C17 | 106.9° | 105.2° |
| O22 | C18 | H36 | 117.9° | 108.3° |
| C18 | O22 | C15 | 112.3° | 108.4° |
| C17 | C18 | H36 | 104.5° | 111.2° |
| C18 | C17 | C16 | 99.5° | 102.3° |
| C18 | C17 | O21 | 108.0° | 112.1° |
| C18 | C17 | H31 | 116.8° | 110.2° |
| O22 | C15 | N9 | 112.6° | 109.5° |
| O22 | C15 | C16 | 103.0° | 107.6° |
| O22 | C15 | H37 | 114.5° | 108.3° |
| N9 | C15 | C16 | 116.4° | 113.6° |
| N9 | C15 | H37 | 100.4° | 105.2° |
| C15 | N9 | C4 | 121.2° | 126.9° |
| C15 | N9 | C8 | 132.9° | 126.1° |
| C16 | C15 | H37 | 110.5° | 112.6° |
| C15 | C16 | O20 | 111.9° | 109.2° |
| C15 | C16 | C17 | 103.8° | 102.8° |
| C15 | C16 | H34 | 114.2° | 114.0° |
| C4 | N9 | C8 | 105.9° | 107.0° |
| N9 | C4 | N3 | 128.9° | 127.5° |
| N9 | C4 | C5 | 103.9° | 105.2° |
| N9 | C8 | N7 | 115.2° | 112.2° |
| N9 | C8 | H38 | 125.8° | 122.2° |
| N3 | C4 | C5 | 127.3° | 127.3° |
| C4 | N3 | C2 | 116.6° | 110.5° |
| C4 | C5 | C6 | 114.2° | 116.9° |
| C4 | C5 | N7 | 111.5° | 110.8° |
| N3 | C2 | N1 | 121.0° | 128.8° |
| N3 | C2 | H39 | 121.7° | 115.7° |
| N1 | C2 | H39 | 117.3° | 115.5° |
| C2 | N1 | C6 | 121.7° | 117.5° |
| N1 | C6 | N6 | 119.2° | 120.2° |
| N1 | C6 | C5 | 119.1° | 119.1° |
| N6 | C6 | C5 | 121.6° | 120.7° |
| C6 | N6 | H40 | 108.7° | 119.5° |
| C6 | N6 | H41 | 119.2° | 119.4° |
| C6 | C5 | N7 | 134.2° | 132.4° |
| H40 | N6 | H41 | 108.7° | 120.8° |
| C5 | N7 | C8 | 103.6° | 104.9° |
| N7 | C8 | H38 | 119.0° | 125.6° |
| O20 | C16 | C17 | 116.1° | 111.2° |
| O20 | C16 | H34 | 101.4° | 106.9° |
| C16 | O20 | H35 | 111.9° | 107.2° |
| C17 | C16 | H34 | 109.8° | 112.6° |
| C16 | C17 | O21 | 110.1° | 113.5° |
| C16 | C17 | H31 | 114.9° | 109.5° |
| O21 | C17 | H31 | 107.3° | 109.0° |
| C17 | O21 | P39 | 147.2° | 118.2° |
| O21 | P39 | O40 | 107.9° | 115.2° |
| O21 | P39 | O41 | 107.6° | 103.8° |
| O21 | P39 | O42 | 104.8° | 102.5° |
| O40 | P39 | O41 | 111.5° | 115.3° |
| O40 | P39 | O42 | 112.8° | 115.0° |
| O41 | P39 | O42 | 111.8° | 103.3° |
| P39 | O41 | H33 | 107.6° | 118.9° |
| P39 | O42 | H32 | 104.8° | 118.9° |
| O32 | P35 | O36 | 105.2° | 115.0° |
| O32 | P35 | O37 | 114.2° | 103.4° |
| O32 | P35 | O38 | 119.2° | 101.0° |
| O36 | P35 | O37 | 103.9° | 115.0° |
| O36 | P35 | O38 | 106.2° | 116.2° |
| O37 | P35 | O38 | 106.7° | 104.4° |
| P35 | O37 | H27 | 114.2° | 119.0° |
| P35 | O38 | C46 | 120.8° | 118.3° |
| O38 | C46 | C45 | 120.1° | 111.1° |
| O38 | C46 | H25 | 108.4° | 107.4° |
| O38 | C46 | H26 | 108.4° | 107.8° |
| C45 | C46 | H25 | 108.4° | 111.0° |
| C45 | C46 | H26 | 108.4° | 111.1° |
| C46 | C45 | C53 | 105.5° | 108.8° |
| C46 | C45 | C57 | 105.3° | 109.7° |
| C46 | C45 | C44 | 113.2° | 111.2° |
| H25 | C46 | H26 | 101.5° | 108.3° |
| C53 | C45 | C57 | 112.0° | 107.4° |
| C53 | C45 | C44 | 111.6° | 108.5° |
| C45 | C53 | H22 | 113.7° | 111.0° |
| C45 | C53 | H23 | 105.5° | 111.7° |
| C45 | C53 | H24 | 113.7° | 111.5° |
| C57 | C45 | C44 | 109.2° | 111.0° |
| C45 | C57 | H19 | 113.8° | 111.5° |
| C45 | C57 | H20 | 105.2° | 111.0° |
| C45 | C57 | H21 | 113.8° | 111.6° |
| C45 | C44 | O52 | 109.1° | 109.7° |
| C45 | C44 | C43 | 115.3° | 114.2° |
| C45 | C44 | H18 | 105.0° | 109.9° |
| H22 | C53 | H23 | 113.7° | 107.3° |
| H22 | C53 | H24 | 96.8° | 107.7° |
| H23 | C53 | H24 | 113.7° | 107.4° |
| H19 | C57 | H20 | 113.8° | 107.3° |
| H19 | C57 | H21 | 96.7° | 107.0° |
| H20 | C57 | H21 | 113.8° | 108.2° |
| O52 | C44 | C43 | 107.1° | 106.4° |
| O52 | C44 | H18 | 113.5° | 107.1° |
| C44 | O52 | H17 | 109.1° | 106.6° |
| C43 | C44 | H18 | 107.1° | 109.2° |
| C44 | C43 | O51 | 118.1° | 122.3° |
| C44 | C43 | N68 | 123.8° | 112.8° |
| O51 | C43 | N68 | 118.1° | 124.9° |
| C43 | N68 | C62 | 119.7° | 123.1° |
| C43 | N68 | H16 | 119.0° | 119.4° |
| C62 | N68 | H16 | 121.3° | 117.5° |
| N68 | C62 | C61 | 108.5° | 109.8° |
| N68 | C62 | H14 | 112.6° | 109.3° |
| N68 | C62 | H15 | 112.6° | 109.2° |
| C61 | C62 | H14 | 112.6° | 110.6° |
| C61 | C62 | H15 | 112.6° | 110.6° |
| C62 | C61 | C69 | 114.5° | 112.5° |
| C62 | C61 | H12 | 110.4° | 110.0° |
| C62 | C61 | H13 | 110.4° | 110.1° |
| H14 | C62 | H15 | 97.9° | 107.3° |
| C69 | C61 | H12 | 110.4° | 108.3° |
| C69 | C61 | H13 | 110.4° | 108.4° |
| C61 | C69 | O72 | 115.4° | 123.2° |
| C61 | C69 | N71 | 115.8° | 111.6° |
| H12 | C61 | H13 | 99.9° | 107.4° |
| O72 | C69 | N71 | 128.8° | 125.2° |
| C69 | N71 | C74 | 115.0° | 122.9° |
| C69 | N71 | H11 | 122.4° | 118.5° |
| C74 | N71 | H11 | 122.5° | 118.6° |
| N71 | C74 | C73 | 112.0° | 113.0° |
| N71 | C74 | H91 | 111.3° | 106.6° |
| N71 | C74 | H10 | 111.3° | 108.0° |
| C73 | C74 | H91 | 111.3° | 109.3° |
| C73 | C74 | H10 | 111.3° | 111.9° |
| C74 | C73 | S81 | 118.1° | 112.2° |
| C74 | C73 | H71 | 109.1° | 110.9° |
| C74 | C73 | H81 | 109.1° | 109.6° |
| H91 | C74 | H10 | 99.1° | 107.7° |
| S81 | C73 | H71 | 109.1° | 108.5° |
| S81 | C73 | H81 | 109.1° | 107.6° |
| C73 | S81 | C1' | 108.0° | 100.1° |
| H71 | C73 | H81 | 101.0° | 108.0° |
| S81 | C1' | O1' | 109.5° | 122.9° |
| S81 | C1' | C2' | 126.2° | 112.8° |
| O1' | C1' | C2' | 124.2° | 124.3° |
| C1' | C2' | C3' | 117.6° | 113.1° |
| C1' | C2' | H51 | 109.3° | 109.8° |
| C1' | C2' | H61 | 109.3° | 107.3° |
| C3' | C2' | H51 | 109.3° | 109.5° |
| C3' | C2' | H61 | 109.3° | 108.8° |
| C2' | C3' | C4' | 115.4° | 112.1° |
| C2' | C3' | H31A | 110.1° | 110.3° |
| C2' | C3' | H41A | 110.0° | 108.4° |
| H51 | C2' | H61 | 100.8° | 108.2° |
| C4' | C3' | H31A | 110.0° | 110.3° |
| C4' | C3' | H41A | 110.0° | 109.3° |
| C3' | C4' | N5' | 116.6° | 107.8° |
| C3' | C4' | H11A | 109.6° | 112.5° |
| C3' | C4' | H21A | 109.6° | 113.1° |
| H31A | C3' | H41A | 100.2° | 106.4° |
| N5' | C4' | H11A | 109.6° | 106.4° |
| N5' | C4' | H21A | 109.6° | 106.4° |
| C4' | N5' | O2' | 117.6° | 117.5° |
| C4' | N5' | O3' | 122.0° | 117.8° |
| H11A | C4' | H21A | 100.5° | 110.1° |
| O2' | N5' | O3' | 120.4° | 124.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | P31 | O34 | O23 | 123.5° | 120.7° |
| O33 | P31 | O34 | O32 | 123.9° | 118.7° |
| O33 | P31 | O23 | O32 | 119.1° | 108.1° |
| O33 | P31 | O23 | C19 | 179.1° | 54.0° |
| O33 | P31 | O32 | P35 | 34.8° | 64.8° |
| O34 | P31 | O23 | O32 | 113.7° | 125.9° |
| O34 | P31 | O33 | H28 | 180.0° | 46.2° |
| O34 | P31 | O23 | C19 | 51.9° | 180.0° |
| O34 | P31 | O32 | P35 | 92.5° | 60.0° |
| O23 | P31 | O33 | H28 | 57.8° | 80.1° |
| P31 | O23 | C19 | C18 | 128.2° | 120.0° |
| P31 | O23 | C19 | H29 | 2.9° | 119.4° |
| P31 | O23 | C19 | H30 | 106.6° | 0.6° |
| O23 | P31 | O32 | P35 | 153.4° | 173.8° |
| O32 | P31 | O33 | H28 | 58.0° | 170.9° |
| O32 | P31 | O23 | C19 | 61.8° | 54.1° |
| P31 | O32 | P35 | O36 | 113.4° | 60.0° |
| P31 | O32 | P35 | O37 | 0.1° | 66.2° |
| P31 | O32 | P35 | O38 | 127.7° | 174.0° |
| O23 | C19 | C18 | H29 | 125.3° | 119.6° |
| O23 | C19 | C18 | H30 | 125.2° | 119.5° |
| O23 | C19 | H29 | H30 | 115.8° | 118.6° |
| O23 | C19 | C18 | O22 | 102.1° | 57.9° |
| O23 | C19 | C18 | C17 | 14.7° | 59.5° |
| O23 | C19 | C18 | H36 | 132.3° | 176.2° |
| C18 | C19 | H29 | H30 | 115.8° | 121.7° |
| C19 | C18 | O22 | C17 | 123.4° | 122.5° |
| C19 | C18 | O22 | H36 | 119.3° | 118.5° |
| C19 | C18 | C17 | H36 | 119.7° | 122.9° |
| C19 | C18 | O22 | C15 | 123.3° | 148.9° |
| C19 | C18 | C17 | C16 | 92.3° | 157.1° |
| C19 | C18 | C17 | O21 | 152.7° | 81.0° |
| C19 | C18 | C17 | H31 | 31.8° | 40.7° |
| H29 | C19 | C18 | O22 | 23.2° | 177.4° |
| H29 | C19 | C18 | C17 | 139.9° | 60.0° |
| H29 | C19 | C18 | H36 | 102.5° | 64.3° |
| H30 | C19 | C18 | O22 | 132.7° | 61.7° |
| H30 | C19 | C18 | C17 | 110.6° | 179.1° |
| H30 | C19 | C18 | H36 | 7.1° | 56.6° |
| O22 | C18 | C17 | H36 | 125.8° | 117.0° |
| C18 | O22 | C15 | N9 | 149.3° | 129.0° |
| C18 | O22 | C15 | C16 | 23.2° | 5.0° |
| C18 | O22 | C15 | H37 | 96.8° | 116.9° |
| O22 | C18 | C17 | C16 | 22.2° | 37.0° |
| O22 | C18 | C17 | O21 | 92.8° | 159.0° |
| O22 | C18 | C17 | H31 | 146.3° | 79.4° |
| C17 | C18 | O22 | C15 | 0.1° | 26.4° |
| C18 | C17 | C16 | C15 | 35.5° | 32.8° |
| C18 | C17 | C16 | O20 | 158.8° | 84.0° |
| C18 | C17 | C16 | O21 | 113.2° | 121.0° |
| C18 | C17 | C16 | H31 | 125.5° | 116.9° |
| C18 | C17 | C16 | H34 | 87.0° | 155.9° |
| C18 | C17 | O21 | H31 | 126.7° | 122.3° |
| C18 | C17 | O21 | P39 | 106.8° | 175.2° |
| H36 | C18 | O22 | C15 | 117.4° | 92.6° |
| H36 | C18 | C17 | C16 | 147.9° | 80.0° |
| H36 | C18 | C17 | O21 | 33.0° | 41.9° |
| H36 | C18 | C17 | H31 | 87.9° | 163.6° |
| O22 | C15 | N9 | C16 | 118.6° | 120.3° |
| O22 | C15 | N9 | H37 | 122.2° | 116.1° |
| O22 | C15 | C16 | H37 | 122.7° | 119.2° |
| O22 | C15 | N9 | C4 | 111.8° | 146.1° |
| O22 | C15 | N9 | C8 | 67.9° | 33.8° |
| O22 | C15 | C16 | O20 | 162.5° | 100.1° |
| O22 | C15 | C16 | C17 | 36.5° | 18.1° |
| O22 | C15 | C16 | H34 | 83.0° | 140.3° |
| N9 | C15 | C16 | H37 | 113.6° | 119.4° |
| C15 | N9 | C4 | C8 | 179.8° | 179.9° |
| C15 | N9 | C4 | N3 | 0.3° | 0.0° |
| C15 | N9 | C4 | C5 | 179.8° | 179.9° |
| C15 | N9 | C8 | N7 | 179.7° | 180.0° |
| C15 | N9 | C8 | H38 | 0.3° | 0.1° |
| N9 | C15 | C16 | O20 | 73.8° | 138.5° |
| N9 | C15 | C16 | C17 | 160.2° | 103.3° |
| N9 | C15 | C16 | H34 | 40.7° | 19.0° |
| C16 | C15 | N9 | C4 | 129.6° | 93.6° |
| C16 | C15 | N9 | C8 | 50.6° | 86.5° |
| C15 | C16 | O20 | C17 | 119.0° | 112.8° |
| C15 | C16 | O20 | H34 | 122.1° | 123.9° |
| C15 | C16 | C17 | H34 | 122.5° | 123.2° |
| C15 | C16 | O20 | H35 | 180.0° | 35.4° |
| C15 | C16 | C17 | O21 | 77.7° | 153.7° |
| C15 | C16 | C17 | H31 | 161.0° | 84.1° |
| H37 | C15 | N9 | C4 | 10.4° | 29.9° |
| H37 | C15 | N9 | C8 | 169.9° | 150.0° |
| H37 | C15 | C16 | O20 | 39.9° | 19.1° |
| H37 | C15 | C16 | C17 | 86.1° | 137.4° |
| H37 | C15 | C16 | H34 | 154.3° | 100.4° |
| N9 | C4 | N3 | C5 | 179.9° | 180.0° |
| N9 | C4 | N3 | C2 | 180.0° | 179.9° |
| N9 | C4 | C5 | C6 | 179.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.0° | 0.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | H38 | 179.9° | 180.0° |
| C8 | N9 | C4 | N3 | 179.8° | 180.0° |
| C8 | N9 | C4 | C5 | 0.0° | 0.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| N9 | C8 | N7 | H38 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.0° | 0.1° |
| C4 | N3 | C2 | H39 | 180.0° | 179.9° |
| N3 | C4 | C5 | C6 | 0.2° | 0.1° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C4 | C5 | C6 | N6 | 179.7° | 180.0° |
| C4 | C5 | C6 | N7 | 179.9° | 179.9° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| N3 | C2 | N1 | H39 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.1° | 0.1° |
| C2 | N1 | C6 | N6 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| H39 | C2 | N1 | C6 | 179.9° | 179.9° |
| N1 | C6 | N6 | C5 | 179.7° | 179.9° |
| N1 | C6 | N6 | H40 | 54.7° | 114.2° |
| N1 | C6 | N6 | H41 | 180.0° | 59.6° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| C6 | N6 | H40 | H41 | 131.2° | 173.7° |
| N6 | C6 | C5 | N7 | 0.2° | 0.1° |
| C5 | C6 | N6 | H40 | 125.0° | 65.8° |
| C5 | C6 | N6 | H41 | 0.3° | 120.4° |
| C6 | C5 | N7 | C8 | 180.0° | 180.0° |
| C5 | N7 | C8 | H38 | 179.9° | 180.0° |
| O20 | C16 | C17 | H34 | 114.2° | 120.0° |
| O20 | C16 | C17 | O21 | 45.6° | 36.9° |
| O20 | C16 | C17 | H31 | 75.7° | 159.1° |
| C17 | C16 | O20 | H35 | 61.0° | 148.2° |
| C16 | C17 | O21 | H31 | 125.7° | 122.4° |
| C16 | C17 | O21 | P39 | 145.6° | 60.0° |
| H34 | C16 | O20 | H35 | 57.9° | 88.5° |
| H34 | C16 | C17 | O21 | 159.8° | 83.1° |
| H34 | C16 | C17 | H31 | 38.5° | 39.0° |
| C17 | O21 | P39 | O40 | 59.7° | 60.0° |
| C17 | O21 | P39 | O41 | 60.7° | 173.0° |
| C17 | O21 | P39 | O42 | 179.9° | 65.7° |
| H31 | C17 | O21 | P39 | 19.9° | 62.4° |
| O21 | P39 | O40 | O41 | 117.9° | 121.0° |
| O21 | P39 | O40 | O42 | 115.2° | 118.9° |
| O21 | P39 | O41 | O42 | 114.5° | 106.7° |
| O21 | P39 | O41 | H33 | 180.0° | 175.7° |
| O21 | P39 | O42 | H32 | 180.0° | 173.8° |
| O40 | P39 | O41 | O42 | 127.4° | 126.3° |
| O40 | P39 | O41 | H33 | 61.9° | 48.8° |
| O40 | P39 | O42 | H32 | 62.9° | 48.0° |
| O41 | P39 | O42 | H32 | 63.8° | 78.5° |
| O42 | P39 | O41 | H33 | 65.5° | 77.6° |
| O32 | P35 | O36 | O37 | 120.3° | 120.0° |
| O32 | P35 | O36 | O38 | 127.3° | 117.7° |
| O32 | P35 | O37 | O38 | 134.0° | 105.2° |
| O32 | P35 | O37 | H27 | 180.0° | 77.7° |
| O32 | P35 | O38 | C46 | 80.7° | 174.8° |
| O36 | P35 | O37 | O38 | 112.0° | 128.5° |
| O36 | P35 | O37 | H27 | 66.0° | 48.5° |
| O36 | P35 | O38 | C46 | 161.0° | 60.0° |
| O37 | P35 | O38 | C46 | 50.5° | 67.7° |
| O38 | P35 | O37 | H27 | 46.0° | 177.1° |
| P35 | O38 | C46 | C45 | 99.9° | 180.0° |
| P35 | O38 | C46 | H25 | 25.3° | 58.4° |
| P35 | O38 | C46 | H26 | 134.8° | 58.1° |
| O38 | C46 | C45 | H25 | 125.3° | 119.5° |
| O38 | C46 | C45 | H26 | 125.3° | 120.0° |
| O38 | C46 | H25 | H26 | 114.1° | 116.2° |
| O38 | C46 | C45 | C53 | 32.5° | 59.5° |
| O38 | C46 | C45 | C57 | 86.1° | 176.8° |
| O38 | C46 | C45 | C44 | 154.7° | 60.0° |
| C45 | C46 | H25 | H26 | 114.0° | 122.2° |
| C46 | C45 | C53 | C57 | 114.0° | 118.7° |
| C46 | C45 | C53 | C44 | 123.3° | 121.1° |
| C46 | C45 | C57 | C44 | 121.8° | 123.3° |
| C46 | C45 | C53 | H22 | 54.7° | 177.0° |
| C46 | C45 | C53 | H23 | 180.0° | 63.3° |
| C46 | C45 | C53 | H24 | 54.8° | 56.9° |
| C46 | C45 | C57 | H19 | 54.7° | 64.9° |
| C46 | C45 | C57 | H20 | 180.0° | 175.5° |
| C46 | C45 | C57 | H21 | 54.7° | 54.7° |
| C46 | C45 | C44 | O52 | 58.4° | 179.8° |
| C46 | C45 | C44 | C43 | 179.0° | 60.4° |
| C46 | C45 | C44 | H18 | 63.5° | 62.7° |
| H25 | C46 | C45 | C53 | 92.8° | 60.0° |
| H25 | C46 | C45 | C57 | 148.6° | 57.3° |
| H25 | C46 | C45 | C44 | 29.5° | 179.5° |
| H26 | C46 | C45 | C53 | 157.8° | 179.5° |
| H26 | C46 | C45 | C57 | 39.2° | 63.2° |
| H26 | C46 | C45 | C44 | 80.0° | 60.0° |
| C53 | C45 | C57 | C44 | 124.1° | 118.5° |
| C45 | C53 | H22 | H23 | 120.8° | 122.3° |
| C45 | C53 | H22 | H24 | 119.6° | 122.3° |
| C45 | C53 | H23 | H24 | 125.2° | 122.5° |
| C53 | C45 | C57 | H19 | 168.9° | 53.2° |
| C53 | C45 | C57 | H20 | 65.8° | 66.4° |
| C53 | C45 | C57 | H21 | 59.4° | 172.9° |
| C53 | C45 | C44 | O52 | 60.4° | 60.6° |
| C53 | C45 | C44 | C43 | 60.1° | 180.0° |
| C53 | C45 | C44 | H18 | 177.7° | 56.9° |
| C57 | C45 | C53 | H22 | 59.3° | 64.3° |
| C57 | C45 | C53 | H23 | 66.0° | 55.4° |
| C57 | C45 | C53 | H24 | 168.8° | 175.6° |
| C45 | C57 | H19 | H20 | 120.6° | 121.8° |
| C45 | C57 | H19 | H21 | 119.7° | 122.3° |
| C45 | C57 | H20 | H21 | 125.2° | 122.8° |
| C57 | C45 | C44 | O52 | 175.3° | 57.3° |
| C57 | C45 | C44 | C43 | 64.2° | 62.1° |
| C57 | C45 | C44 | H18 | 53.4° | 174.8° |
| C44 | C45 | C53 | H22 | 178.0° | 55.8° |
| C44 | C45 | C53 | H23 | 56.7° | 175.5° |
| C44 | C45 | C53 | H24 | 68.5° | 64.3° |
| C44 | C45 | C57 | H19 | 67.0° | 171.7° |
| C44 | C45 | C57 | H20 | 58.3° | 52.2° |
| C44 | C45 | C57 | H21 | 176.5° | 68.6° |
| C45 | C44 | O52 | C43 | 125.4° | 124.1° |
| C45 | C44 | O52 | H18 | 116.7° | 119.2° |
| C45 | C44 | C43 | H18 | 116.4° | 123.5° |
| C45 | C44 | O52 | H17 | 180.0° | 79.9° |
| C45 | C44 | C43 | O51 | 121.5° | 86.5° |
| C45 | C44 | C43 | N68 | 57.9° | 92.3° |
| H22 | C53 | H23 | H24 | 109.4° | 115.6° |
| H19 | C57 | H20 | H21 | 109.5° | 115.1° |
| O52 | C44 | C43 | H18 | 122.0° | 115.3° |
| O52 | C44 | C43 | O51 | 0.1° | 34.7° |
| O52 | C44 | C43 | N68 | 179.5° | 146.4° |
| C43 | C44 | O52 | H17 | 54.6° | 44.2° |
| C44 | C43 | O51 | N68 | 179.5° | 178.7° |
| C44 | C43 | N68 | C62 | 90.2° | 178.8° |
| C44 | C43 | N68 | H16 | 89.8° | 0.7° |
| H18 | C44 | O52 | H17 | 63.3° | 160.9° |
| H18 | C44 | C43 | O51 | 122.2° | 150.0° |
| H18 | C44 | C43 | N68 | 58.4° | 31.1° |
| O51 | C43 | N68 | C62 | 90.4° | 0.1° |
| O51 | C43 | N68 | H16 | 89.6° | 178.1° |
| C43 | N68 | C62 | H16 | 180.0° | 178.1° |
| C43 | N68 | C62 | C61 | 179.9° | 89.9° |
| C43 | N68 | C62 | H14 | 54.6° | 148.6° |
| C43 | N68 | C62 | H15 | 54.9° | 31.5° |
| N68 | C62 | C61 | H14 | 125.2° | 120.7° |
| N68 | C62 | C61 | H15 | 125.3° | 120.6° |
| N68 | C62 | H14 | H15 | 118.5° | 118.4° |
| N68 | C62 | C61 | C69 | 66.9° | 179.4° |
| N68 | C62 | C61 | H12 | 167.9° | 59.7° |
| N68 | C62 | C61 | H13 | 58.4° | 58.4° |
| H16 | N68 | C62 | C61 | 0.1° | 88.2° |
| H16 | N68 | C62 | H14 | 125.4° | 33.3° |
| H16 | N68 | C62 | H15 | 125.1° | 150.4° |
| C61 | C62 | H14 | H15 | 118.5° | 120.7° |
| C62 | C61 | C69 | H12 | 125.3° | 121.9° |
| C62 | C61 | C69 | H13 | 125.3° | 122.0° |
| C62 | C61 | H12 | H13 | 116.2° | 119.8° |
| C62 | C61 | C69 | O72 | 50.0° | 0.0° |
| C62 | C61 | C69 | N71 | 130.1° | 180.0° |
| H14 | C62 | C61 | C69 | 58.3° | 60.0° |
| H14 | C62 | C61 | H12 | 66.9° | 61.0° |
| H14 | C62 | C61 | H13 | 176.4° | 179.1° |
| H15 | C62 | C61 | C69 | 167.8° | 58.7° |
| H15 | C62 | C61 | H12 | 42.6° | 179.7° |
| H15 | C62 | C61 | H13 | 66.9° | 62.2° |
| C69 | C61 | H12 | H13 | 116.2° | 116.8° |
| C61 | C69 | O72 | N71 | 179.9° | 179.9° |
| C61 | C69 | N71 | C74 | 179.9° | 179.9° |
| C61 | C69 | N71 | H11 | 0.1° | 0.1° |
| H12 | C61 | C69 | O72 | 175.2° | 121.8° |
| H12 | C61 | C69 | N71 | 4.8° | 58.1° |
| H13 | C61 | C69 | O72 | 75.3° | 122.0° |
| H13 | C61 | C69 | N71 | 104.6° | 58.1° |
| O72 | C69 | N71 | C74 | 0.0° | 0.0° |
| O72 | C69 | N71 | H11 | 180.0° | 180.0° |
| C69 | N71 | C74 | H11 | 180.0° | 180.0° |
| C69 | N71 | C74 | C73 | 179.9° | 90.0° |
| C69 | N71 | C74 | H91 | 54.8° | 30.1° |
| C69 | N71 | C74 | H10 | 54.7° | 145.6° |
| N71 | C74 | C73 | H91 | 125.3° | 118.6° |
| N71 | C74 | C73 | H10 | 125.3° | 122.2° |
| N71 | C74 | H91 | H10 | 117.2° | 115.7° |
| N71 | C74 | C73 | S81 | 160.0° | 61.4° |
| N71 | C74 | C73 | H71 | 74.7° | 60.0° |
| N71 | C74 | C73 | H81 | 34.8° | 179.2° |
| H11 | N71 | C74 | C73 | 0.1° | 90.1° |
| H11 | N71 | C74 | H91 | 125.1° | 149.8° |
| H11 | N71 | C74 | H10 | 125.4° | 34.3° |
| C73 | C74 | H91 | H10 | 117.2° | 121.8° |
| C74 | C73 | S81 | H71 | 125.2° | 122.8° |
| C74 | C73 | S81 | H81 | 125.2° | 120.6° |
| C74 | C73 | H71 | H81 | 114.8° | 120.1° |
| C74 | C73 | S81 | C1' | 154.5° | 177.2° |
| H91 | C74 | C73 | S81 | 34.8° | 180.0° |
| H91 | C74 | C73 | H71 | 160.0° | 58.6° |
| H91 | C74 | C73 | H81 | 90.5° | 60.6° |
| H10 | C74 | C73 | S81 | 74.7° | 60.8° |
| H10 | C74 | C73 | H71 | 50.5° | 177.8° |
| H10 | C74 | C73 | H81 | 160.0° | 58.6° |
| S81 | C73 | H71 | H81 | 114.8° | 116.3° |
| C73 | S81 | C1' | O1' | 25.8° | 1.6° |
| C73 | S81 | C1' | C2' | 154.2° | 180.0° |
| H71 | C73 | S81 | C1' | 29.2° | 60.0° |
| H81 | C73 | S81 | C1' | 80.3° | 56.6° |
| S81 | C1' | O1' | C2' | 180.0° | 178.2° |
| S81 | C1' | C2' | C3' | 179.9° | 154.3° |
| S81 | C1' | C2' | H51 | 54.8° | 31.6° |
| S81 | C1' | C2' | H61 | 54.6° | 85.7° |
| O1' | C1' | C2' | C3' | 0.1° | 27.3° |
| O1' | C1' | C2' | H51 | 125.2° | 150.0° |
| O1' | C1' | C2' | H61 | 125.3° | 92.7° |
| C1' | C2' | C3' | H51 | 125.2° | 122.8° |
| C1' | C2' | C3' | H61 | 125.3° | 119.2° |
| C1' | C2' | H51 | H61 | 115.0° | 116.8° |
| C1' | C2' | C3' | C4' | 142.4° | 63.3° |
| C1' | C2' | C3' | H31A | 17.1° | 60.0° |
| C1' | C2' | C3' | H41A | 92.3° | 176.0° |
| C3' | C2' | H51 | H61 | 115.1° | 118.4° |
| C2' | C3' | C4' | H31A | 125.3° | 123.3° |
| C2' | C3' | C4' | H41A | 125.3° | 120.2° |
| C2' | C3' | H31A | H41A | 115.9° | 117.3° |
| C2' | C3' | C4' | N5' | 179.9° | 177.1° |
| C2' | C3' | C4' | H11A | 54.8° | 60.0° |
| C2' | C3' | C4' | H21A | 54.6° | 65.6° |
| H51 | C2' | C3' | C4' | 92.4° | 59.5° |
| H51 | C2' | C3' | H31A | 142.4° | 177.2° |
| H51 | C2' | C3' | H41A | 32.9° | 61.2° |
| H61 | C2' | C3' | C4' | 17.1° | 177.6° |
| H61 | C2' | C3' | H31A | 108.1° | 59.2° |
| H61 | C2' | C3' | H41A | 142.4° | 56.9° |
| C4' | C3' | H31A | H41A | 115.8° | 118.4° |
| C3' | C4' | N5' | H11A | 125.3° | 121.0° |
| C3' | C4' | N5' | H21A | 125.3° | 121.6° |
| C3' | C4' | H11A | H21A | 115.4° | 127.2° |
| C3' | C4' | N5' | O2' | 144.5° | 88.1° |
| C3' | C4' | N5' | O3' | 35.9° | 91.0° |
| H31A | C3' | C4' | N5' | 54.6° | 59.7° |
| H31A | C3' | C4' | H11A | 179.9° | 176.8° |
| H31A | C3' | C4' | H21A | 70.6° | 57.6° |
| H41A | C3' | C4' | N5' | 54.8° | 56.9° |
| H41A | C3' | C4' | H11A | 70.4° | 60.2° |
| H41A | C3' | C4' | H21A | 179.9° | 174.2° |
| N5' | C4' | H11A | H21A | 115.4° | 114.9° |
| C4' | N5' | O2' | O3' | 179.6° | 179.0° |
| H11A | C4' | N5' | O2' | 90.3° | 150.9° |
| H11A | C4' | N5' | O3' | 89.3° | 30.0° |
| H21A | C4' | N5' | O2' | 19.2° | 33.6° |
| H21A | C4' | N5' | O3' | 161.2° | 147.4° |
