LHF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C5 | N7 | sing | 1.35Å | 1.38Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | C65 | sing | 1.53Å | 1.52Å | |
| C65 | N31 | sing | 1.47Å | 1.47Å | |
| N31 | C32 | sing | 1.47Å | 1.45Å | |
| N43 | C40 | sing | 1.38Å | 1.34Å | |
| C32 | C39 | sing | 1.51Å | 1.52Å | |
| C40 | C39 | sing | 1.41Å | 1.44Å | |
| C40 | N41 | doub | 1.33Å | 1.34Å | |
| C39 | C38 | doub | 1.35Å | 1.35Å | |
| BR1 | C54 | sing | 1.89Å | 1.90Å | |
| C55 | C54 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.38Å | Aromatic |
| N41 | C36 | sing | 1.33Å | 1.36Å | |
| C54 | C59 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | N37 | sing | 1.36Å | 1.37Å | |
| C56 | C57 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | N37 | sing | 1.35Å | 1.40Å | |
| C36 | O42 | doub | 1.22Å | 1.23Å | |
| C59 | C58 | doub | 1.38Å | 1.38Å | Aromatic |
| N37 | C47 | sing | 1.46Å | 1.47Å | |
| C57 | C58 | sing | 1.39Å | 1.39Å | Aromatic |
| C57 | O53 | sing | 1.36Å | 1.38Å | |
| C50 | O53 | sing | 1.43Å | 1.44Å | |
| C50 | C47 | sing | 1.53Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.08Å | 1.08Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C47 | H48 | sing | 1.09Å | 1.10Å | |
| C47 | H49 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C50 | H52 | sing | 1.09Å | 1.10Å | |
| C50 | H51 | sing | 1.09Å | 1.10Å | |
| C55 | H61 | sing | 1.08Å | 1.08Å | |
| C56 | H62 | sing | 1.08Å | 1.08Å | |
| C58 | H63 | sing | 1.08Å | 1.08Å | |
| C59 | H64 | sing | 1.08Å | 1.08Å | |
| C65 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | H66 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N31 | H33 | sing | 1.01Å | 1.00Å | |
| N43 | H44 | sing | 0.97Å | 1.00Å | |
| N43 | H45 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O3' | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 128.9° | 122.4° |
| C2 | N1 | C6 | 118.6° | 121.2° |
| N1 | C2 | H2 | 115.5° | 118.8° |
| C2 | N3 | C4 | 111.2° | 120.6° |
| N3 | C2 | H2 | 115.5° | 118.8° |
| N1 | C6 | N6 | 118.2° | 120.8° |
| N1 | C6 | C5 | 117.9° | 118.4° |
| N3 | C4 | C5 | 126.5° | 119.1° |
| N3 | C4 | N9 | 127.8° | 134.9° |
| N6 | C6 | C5 | 123.9° | 120.8° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | C5 | C4 | 116.9° | 118.2° |
| C6 | C5 | N7 | 132.7° | 134.7° |
| C5 | C4 | N9 | 105.8° | 106.0° |
| C4 | C5 | N7 | 110.4° | 107.2° |
| C4 | N9 | C1' | 126.8° | 126.2° |
| C4 | N9 | C8 | 106.1° | 107.5° |
| O2' | C2' | C1' | 112.2° | 110.9° |
| O2' | C2' | C3' | 112.7° | 110.9° |
| O2' | C2' | H2' | 111.6° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C5 | N7 | C8 | 104.2° | 109.4° |
| O3' | C3' | C2' | 112.6° | 110.5° |
| O3' | C3' | C4' | 112.5° | 110.5° |
| O3' | C3' | H3' | 111.0° | 110.6° |
| C3' | O3' | H3 | 109.5° | 114.0° |
| N9 | C1' | C2' | 115.2° | 110.6° |
| N9 | C1' | O4' | 108.6° | 110.6° |
| C1' | N9 | C8 | 127.1° | 126.3° |
| N9 | C1' | H1' | 109.0° | 110.6° |
| C2' | C1' | O4' | 106.0° | 103.5° |
| C1' | C2' | C3' | 100.0° | 102.1° |
| C2' | C1' | H1' | 108.2° | 110.6° |
| C1' | C2' | H2' | 109.9° | 110.9° |
| C1' | O4' | C4' | 109.9° | 106.9° |
| O4' | C1' | H1' | 109.7° | 110.8° |
| N9 | C8 | N7 | 113.6° | 109.9° |
| N9 | C8 | H8 | 123.2° | 125.1° |
| C2' | C3' | C4' | 101.3° | 104.2° |
| C3' | C2' | H2' | 110.0° | 110.9° |
| C2' | C3' | H3' | 109.5° | 110.5° |
| O4' | C4' | C3' | 104.5° | 107.3° |
| O4' | C4' | C5' | 109.3° | 109.8° |
| O4' | C4' | H4' | 110.2° | 110.0° |
| C3' | C4' | C5' | 114.2° | 109.9° |
| C4' | C3' | H3' | 109.6° | 110.5° |
| C3' | C4' | H4' | 109.2° | 109.9° |
| N7 | C8 | H8 | 123.2° | 125.0° |
| C4' | C5' | C65 | 114.8° | 109.5° |
| C5' | C4' | H4' | 109.3° | 109.9° |
| C4' | C5' | H5'2 | 108.1° | 109.4° |
| C4' | C5' | H5'1 | 108.1° | 109.5° |
| C5' | C65 | N31 | 110.1° | 109.4° |
| C65 | C5' | H5'2 | 108.2° | 109.5° |
| C65 | C5' | H5'1 | 108.1° | 109.5° |
| C5' | C65 | H67 | 109.3° | 109.4° |
| C5' | C65 | H66 | 109.3° | 109.5° |
| C65 | N31 | C32 | 121.5° | 111.0° |
| N31 | C65 | H67 | 109.3° | 109.4° |
| N31 | C65 | H66 | 109.3° | 109.5° |
| C65 | N31 | H33 | 106.4° | 111.0° |
| N31 | C32 | C39 | 108.5° | 109.5° |
| N31 | C32 | H34 | 109.7° | 109.5° |
| N31 | C32 | H35 | 109.7° | 109.4° |
| C32 | N31 | H33 | 106.4° | 110.9° |
| N43 | C40 | C39 | 119.7° | 120.2° |
| N43 | C40 | N41 | 118.2° | 120.2° |
| C40 | N43 | H44 | 120.0° | 120.0° |
| C40 | N43 | H45 | 120.0° | 120.0° |
| C32 | C39 | C40 | 122.4° | 120.5° |
| C32 | C39 | C38 | 122.0° | 120.5° |
| C39 | C32 | H34 | 109.7° | 109.5° |
| C39 | C32 | H35 | 109.7° | 109.5° |
| C39 | C40 | N41 | 121.9° | 119.6° |
| C40 | C39 | C38 | 115.6° | 119.0° |
| C40 | N41 | C36 | 120.9° | 120.7° |
| C39 | C38 | N37 | 123.1° | 119.3° |
| C39 | C38 | H46 | 118.4° | 120.4° |
| BR1 | C54 | C55 | 119.2° | 120.0° |
| BR1 | C54 | C59 | 119.2° | 119.9° |
| C54 | C55 | C56 | 119.2° | 120.1° |
| C55 | C54 | C59 | 121.5° | 120.1° |
| C54 | C55 | H61 | 120.4° | 120.0° |
| C55 | C56 | C57 | 119.9° | 119.9° |
| C56 | C55 | H61 | 120.4° | 119.9° |
| C55 | C56 | H62 | 120.1° | 120.1° |
| N41 | C36 | N37 | 118.8° | 121.1° |
| N41 | C36 | O42 | 122.2° | 119.5° |
| C54 | C59 | C58 | 119.3° | 120.0° |
| C54 | C59 | H64 | 120.4° | 120.0° |
| C38 | N37 | C36 | 119.6° | 120.3° |
| C38 | N37 | C47 | 120.0° | 119.9° |
| N37 | C38 | H46 | 118.5° | 120.3° |
| C56 | C57 | C58 | 120.1° | 120.0° |
| C56 | C57 | O53 | 120.1° | 120.0° |
| C57 | C56 | H62 | 120.0° | 120.0° |
| N37 | C36 | O42 | 119.0° | 119.4° |
| C36 | N37 | C47 | 120.3° | 119.8° |
| C59 | C58 | C57 | 120.0° | 119.9° |
| C59 | C58 | H63 | 120.0° | 120.0° |
| C58 | C59 | H64 | 120.4° | 120.0° |
| N37 | C47 | C50 | 112.8° | 109.5° |
| N37 | C47 | H48 | 108.6° | 109.5° |
| N37 | C47 | H49 | 108.7° | 109.5° |
| C58 | C57 | O53 | 119.8° | 120.0° |
| C57 | C58 | H63 | 120.0° | 120.0° |
| C57 | O53 | C50 | 117.3° | 117.0° |
| O53 | C50 | C47 | 111.3° | 109.5° |
| O53 | C50 | H52 | 109.0° | 109.5° |
| O53 | C50 | H51 | 109.0° | 109.5° |
| C50 | C47 | H48 | 108.7° | 109.5° |
| C50 | C47 | H49 | 108.6° | 109.5° |
| C47 | C50 | H52 | 109.0° | 109.5° |
| C47 | C50 | H51 | 109.0° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.4° |
| H48 | C47 | H49 | 109.5° | 109.5° |
| H5'2 | C5' | H5'1 | 109.4° | 109.5° |
| H52 | C50 | H51 | 109.5° | 109.4° |
| H67 | C65 | H66 | 109.5° | 109.5° |
| H44 | N43 | H45 | 120.0° | 120.1° |
| HN62 | N6 | HN61 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 0.7° | 0.0° |
| C2 | N1 | C6 | N6 | 177.2° | 180.0° |
| C2 | N1 | C6 | C5 | 0.9° | 0.1° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.1° |
| C2 | N3 | C4 | N9 | 177.7° | 180.0° |
| N1 | C6 | N6 | C5 | 178.0° | 180.0° |
| N1 | C6 | C5 | C4 | 1.2° | 0.0° |
| N1 | C6 | C5 | N7 | 177.2° | 180.0° |
| C6 | N1 | C2 | H2 | 179.9° | 179.7° |
| N1 | C6 | N6 | HN62 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN61 | 120.0° | 0.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.0° |
| N3 | C4 | C5 | N9 | 178.4° | 179.9° |
| N3 | C4 | C5 | N7 | 178.1° | 180.0° |
| N3 | C4 | N9 | C1' | 0.4° | 0.1° |
| N3 | C4 | N9 | C8 | 178.1° | 180.0° |
| C4 | N3 | C2 | H2 | 179.3° | 179.7° |
| N6 | C6 | C5 | C4 | 176.8° | 180.0° |
| N6 | C6 | C5 | N7 | 4.8° | 0.0° |
| C6 | N6 | HN62 | HN61 | 120.0° | 180.0° |
| C6 | C5 | C4 | N7 | 178.7° | 180.0° |
| C6 | C5 | C4 | N9 | 179.0° | 180.0° |
| C6 | C5 | N7 | C8 | 178.6° | 180.0° |
| C5 | C6 | N6 | HN62 | 178.0° | 0.0° |
| C5 | C6 | N6 | HN61 | 62.0° | 180.0° |
| C5 | C4 | N9 | C1' | 178.7° | 180.0° |
| C5 | C4 | N9 | C8 | 0.3° | 0.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C1' | C8 | 178.1° | 179.9° |
| C4 | N9 | C1' | C2' | 126.2° | 85.0° |
| C4 | N9 | C1' | O4' | 115.1° | 160.9° |
| C4 | N9 | C8 | N7 | 0.2° | 0.0° |
| C4 | N9 | C1' | H1' | 4.4° | 37.9° |
| C4 | N9 | C8 | H8 | 179.8° | 180.0° |
| O2' | C2' | C3' | O3' | 40.5° | 20.4° |
| O2' | C2' | C1' | N9 | 85.8° | 86.3° |
| O2' | C2' | C1' | C3' | 119.6° | 118.2° |
| O2' | C2' | C1' | H2' | 124.7° | 123.6° |
| O2' | C2' | C1' | O4' | 154.1° | 155.3° |
| O2' | C2' | C3' | H2' | 125.1° | 123.6° |
| O2' | C2' | C3' | C4' | 160.8° | 139.1° |
| O2' | C2' | C1' | H1' | 36.5° | 36.6° |
| O2' | C2' | C3' | H3' | 83.5° | 102.2° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H8 | 180.0° | 180.0° |
| O3' | C3' | C2' | C1' | 78.8° | 97.8° |
| O3' | C3' | C2' | C4' | 120.4° | 118.7° |
| O3' | C3' | C2' | H3' | 123.9° | 122.7° |
| O3' | C3' | C4' | O4' | 85.2° | 120.7° |
| O3' | C3' | C4' | H3' | 124.0° | 122.7° |
| O3' | C3' | C4' | C5' | 155.3° | 119.9° |
| O3' | C3' | C2' | H2' | 165.6° | 144.0° |
| O3' | C3' | C4' | H4' | 32.7° | 1.1° |
| N9 | C1' | C2' | O4' | 120.1° | 118.5° |
| N9 | C1' | C2' | H1' | 122.3° | 122.9° |
| N9 | C1' | O4' | H1' | 119.1° | 122.9° |
| N9 | C1' | C2' | C3' | 154.5° | 155.5° |
| N9 | C1' | O4' | C4' | 137.5° | 158.6° |
| C1' | N9 | C8 | N7 | 178.7° | 180.0° |
| N9 | C1' | C2' | H2' | 38.9° | 37.3° |
| C1' | N9 | C8 | H8 | 1.4° | 0.1° |
| C2' | C1' | O4' | H1' | 116.6° | 118.6° |
| C2' | C1' | N9 | C8 | 55.6° | 95.0° |
| C1' | C2' | C3' | H2' | 115.6° | 118.2° |
| C2' | C1' | O4' | C4' | 13.2° | 40.1° |
| C1' | C2' | C3' | C4' | 41.6° | 20.9° |
| C1' | C2' | C3' | H3' | 157.3° | 139.5° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| O4' | C1' | N9 | C8 | 63.0° | 19.0° |
| O4' | C1' | C2' | C3' | 34.4° | 37.0° |
| C1' | O4' | C4' | C3' | 14.1° | 26.5° |
| C1' | O4' | C4' | C5' | 108.6° | 146.0° |
| O4' | C1' | C2' | H2' | 81.2° | 81.2° |
| C1' | O4' | C4' | H4' | 131.3° | 93.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C1' | H1' | 177.5° | 142.0° |
| C2' | C3' | C4' | O4' | 35.2° | 2.0° |
| C2' | C3' | C4' | H3' | 115.6° | 118.7° |
| C2' | C3' | C4' | C5' | 84.2° | 121.4° |
| C3' | C2' | C1' | H1' | 83.2° | 81.6° |
| C2' | C3' | C4' | H4' | 153.1° | 117.5° |
| C3' | C2' | O2' | HO2' | 68.1° | 67.3° |
| C2' | C3' | O3' | H3 | 180.0° | 61.4° |
| O4' | C4' | C3' | C5' | 119.4° | 119.4° |
| O4' | C4' | C3' | H4' | 117.9° | 119.6° |
| O4' | C4' | C5' | H4' | 120.7° | 121.1° |
| O4' | C4' | C5' | C65 | 114.7° | 67.2° |
| C4' | O4' | C1' | H1' | 103.4° | 78.5° |
| O4' | C4' | C3' | H3' | 150.8° | 116.6° |
| O4' | C4' | C5' | H5'2 | 124.5° | 172.9° |
| O4' | C4' | C5' | H5'1 | 6.1° | 52.9° |
| C3' | C4' | C5' | H4' | 122.6° | 121.0° |
| C3' | C4' | C5' | C65 | 128.6° | 175.0° |
| C4' | C3' | C2' | H2' | 74.0° | 97.3° |
| C3' | C4' | C5' | H5'2 | 7.8° | 55.0° |
| C3' | C4' | C5' | H5'1 | 110.6° | 65.0° |
| C4' | C3' | O3' | H3 | 66.2° | 176.2° |
| C4' | C5' | C65 | H5'2 | 120.8° | 119.9° |
| C4' | C5' | C65 | H5'1 | 120.8° | 120.0° |
| C4' | C5' | C65 | N31 | 173.3° | 180.0° |
| C5' | C4' | C3' | H3' | 31.4° | 2.8° |
| C4' | C5' | H5'2 | H5'1 | 117.6° | 120.0° |
| C4' | C5' | C65 | H67 | 66.6° | 60.1° |
| C4' | C5' | C65 | H66 | 53.3° | 60.0° |
| C5' | C65 | N31 | H67 | 120.1° | 119.9° |
| C5' | C65 | N31 | H66 | 120.1° | 120.0° |
| C5' | C65 | N31 | C32 | 165.4° | 180.0° |
| C65 | C5' | C4' | H4' | 6.0° | 53.9° |
| C65 | C5' | H5'2 | H5'1 | 117.6° | 120.0° |
| C5' | C65 | H67 | H66 | 119.7° | 120.0° |
| C5' | C65 | N31 | H33 | 72.9° | 56.1° |
| C65 | N31 | C32 | H33 | 121.7° | 123.9° |
| C65 | N31 | C32 | C39 | 108.4° | 180.0° |
| C65 | N31 | C32 | H34 | 131.7° | 59.9° |
| C65 | N31 | C32 | H35 | 11.5° | 60.0° |
| N31 | C65 | C5' | H5'2 | 52.6° | 60.1° |
| N31 | C65 | C5' | H5'1 | 65.9° | 60.0° |
| N31 | C65 | H67 | H66 | 119.7° | 120.0° |
| N31 | C32 | C39 | H34 | 119.8° | 120.1° |
| N31 | C32 | C39 | H35 | 119.9° | 120.0° |
| N31 | C32 | C39 | C40 | 103.0° | 84.5° |
| N31 | C32 | C39 | C38 | 76.7° | 95.0° |
| N31 | C32 | H34 | H35 | 120.4° | 119.9° |
| C32 | N31 | C65 | H67 | 45.3° | 60.1° |
| C32 | N31 | C65 | H66 | 74.5° | 60.0° |
| N43 | C40 | C39 | C32 | 5.5° | 0.0° |
| N43 | C40 | C39 | N41 | 176.5° | 179.7° |
| N43 | C40 | C39 | C38 | 174.3° | 179.6° |
| N43 | C40 | N41 | C36 | 174.3° | 179.8° |
| C40 | N43 | H44 | H45 | 180.0° | 179.9° |
| C32 | C39 | C40 | C38 | 179.8° | 179.5° |
| C32 | C39 | C40 | N41 | 178.0° | 179.7° |
| C32 | C39 | C38 | N37 | 179.5° | 180.0° |
| C39 | C32 | H34 | H35 | 120.4° | 120.0° |
| C32 | C39 | C38 | H46 | 0.5° | 0.1° |
| C39 | C32 | N31 | H33 | 13.3° | 56.1° |
| C39 | C40 | N41 | C36 | 2.2° | 0.5° |
| C40 | C39 | C38 | N37 | 0.3° | 0.5° |
| C40 | C39 | C32 | H34 | 137.2° | 35.5° |
| C40 | C39 | C32 | H35 | 16.9° | 155.5° |
| C40 | C39 | C38 | H46 | 179.7° | 179.4° |
| C39 | C40 | N43 | H44 | 176.6° | 0.1° |
| C39 | C40 | N43 | H45 | 3.4° | 180.0° |
| N41 | C40 | C39 | C38 | 2.2° | 0.7° |
| C40 | N41 | C36 | N37 | 0.3° | 0.1° |
| C40 | N41 | C36 | O42 | 178.5° | 179.7° |
| N41 | C40 | N43 | H44 | 0.0° | 179.8° |
| N41 | C40 | N43 | H45 | 180.0° | 0.3° |
| C39 | C38 | N37 | H46 | 180.0° | 179.9° |
| C39 | C38 | N37 | C36 | 2.7° | 0.0° |
| C39 | C38 | N37 | C47 | 173.2° | 180.0° |
| C38 | C39 | C32 | H34 | 43.1° | 145.0° |
| C38 | C39 | C32 | H35 | 163.4° | 25.0° |
| BR1 | C54 | C55 | C59 | 178.3° | 179.8° |
| BR1 | C54 | C55 | C56 | 176.7° | 179.7° |
| BR1 | C54 | C59 | C58 | 176.7° | 179.7° |
| BR1 | C54 | C55 | H61 | 3.3° | 0.2° |
| BR1 | C54 | C59 | H64 | 3.3° | 0.2° |
| C54 | C55 | C56 | H61 | 180.0° | 179.9° |
| C54 | C55 | C56 | C57 | 0.2° | 0.0° |
| C55 | C54 | C59 | C58 | 1.6° | 0.1° |
| C54 | C55 | C56 | H62 | 179.8° | 180.0° |
| C55 | C54 | C59 | H64 | 178.4° | 180.0° |
| C56 | C55 | C54 | C59 | 1.6° | 0.1° |
| C55 | C56 | C57 | H62 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 1.1° | 0.0° |
| C55 | C56 | C57 | O53 | 177.1° | 180.0° |
| N41 | C36 | N37 | C38 | 2.7° | 0.3° |
| N41 | C36 | N37 | O42 | 178.9° | 179.6° |
| N41 | C36 | N37 | C47 | 173.2° | 179.7° |
| C54 | C59 | C58 | H64 | 180.0° | 179.9° |
| C54 | C59 | C58 | C57 | 0.3° | 0.1° |
| C59 | C54 | C55 | H61 | 178.4° | 180.0° |
| C54 | C59 | C58 | H63 | 179.7° | 180.0° |
| C38 | N37 | C36 | C47 | 175.9° | 179.9° |
| C38 | N37 | C36 | O42 | 176.2° | 180.0° |
| C38 | N37 | C47 | C50 | 36.5° | 90.1° |
| C38 | N37 | C47 | H48 | 84.0° | 150.0° |
| C38 | N37 | C47 | H49 | 157.0° | 29.9° |
| C56 | C57 | C58 | C59 | 1.1° | 0.0° |
| C56 | C57 | C58 | O53 | 178.2° | 179.9° |
| C56 | C57 | O53 | C50 | 0.1° | 180.0° |
| C57 | C56 | C55 | H61 | 179.8° | 180.0° |
| C56 | C57 | C58 | H63 | 178.9° | 180.0° |
| C36 | N37 | C47 | C50 | 139.3° | 90.0° |
| C36 | N37 | C38 | H46 | 177.3° | 180.0° |
| C36 | N37 | C47 | H48 | 100.2° | 30.0° |
| C36 | N37 | C47 | H49 | 18.9° | 150.0° |
| O42 | C36 | N37 | C47 | 8.0° | 0.1° |
| C59 | C58 | C57 | H63 | 180.0° | 180.0° |
| C59 | C58 | C57 | O53 | 177.2° | 179.9° |
| N37 | C47 | C50 | O53 | 146.5° | 65.0° |
| N37 | C47 | C50 | H48 | 120.5° | 120.0° |
| N37 | C47 | C50 | H49 | 120.5° | 120.0° |
| C47 | N37 | C38 | H46 | 6.8° | 0.1° |
| N37 | C47 | H48 | H49 | 118.5° | 120.0° |
| N37 | C47 | C50 | H52 | 93.2° | 175.0° |
| N37 | C47 | C50 | H51 | 26.2° | 55.0° |
| C58 | C57 | O53 | C50 | 178.2° | 0.1° |
| C58 | C57 | C56 | H62 | 178.9° | 179.9° |
| C57 | C58 | C59 | H64 | 179.7° | 179.9° |
| C57 | O53 | C50 | C47 | 179.7° | 180.0° |
| C57 | O53 | C50 | H52 | 59.5° | 60.0° |
| C57 | O53 | C50 | H51 | 60.0° | 60.0° |
| O53 | C57 | C56 | H62 | 2.9° | 0.0° |
| O53 | C57 | C58 | H63 | 2.8° | 0.0° |
| O53 | C50 | C47 | H52 | 120.3° | 120.0° |
| O53 | C50 | C47 | H51 | 120.3° | 120.0° |
| O53 | C50 | C47 | H48 | 93.0° | 175.0° |
| O53 | C50 | C47 | H49 | 26.0° | 55.0° |
| O53 | C50 | H52 | H51 | 119.2° | 120.0° |
| C50 | C47 | H48 | H49 | 118.5° | 120.0° |
| C47 | C50 | H52 | H51 | 119.2° | 120.0° |
| H1' | C1' | C2' | H2' | 161.2° | 160.2° |
| H2' | C2' | C3' | H3' | 41.6° | 21.4° |
| H2' | C2' | O2' | HO2' | 56.2° | 56.4° |
| H3' | C3' | C4' | H4' | 91.3° | 123.8° |
| H3' | C3' | O3' | H3 | 56.9° | 61.2° |
| H34 | C32 | N31 | H33 | 106.6° | 64.0° |
| H35 | C32 | N31 | H33 | 133.1° | 176.1° |
| H4' | C4' | C5' | H5'2 | 114.8° | 66.0° |
| H4' | C4' | C5' | H5'1 | 126.8° | 174.0° |
| H48 | C47 | C50 | H52 | 27.3° | 55.0° |
| H48 | C47 | C50 | H51 | 146.7° | 65.0° |
| H49 | C47 | C50 | H52 | 146.3° | 65.0° |
| H49 | C47 | C50 | H51 | 94.2° | 175.0° |
| H5'2 | C5' | C65 | H67 | 172.7° | 180.0° |
| H5'2 | C5' | C65 | H66 | 67.5° | 60.0° |
| H5'1 | C5' | C65 | H67 | 54.2° | 60.0° |
| H5'1 | C5' | C65 | H66 | 174.0° | 180.0° |
| H61 | C55 | C56 | H62 | 0.2° | 0.1° |
| H63 | C58 | C59 | H64 | 0.3° | 0.1° |
| H67 | C65 | N31 | H33 | 167.0° | 176.0° |
| H66 | C65 | N31 | H33 | 47.2° | 63.9° |
