HG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C56 | C55 | sing | 1.51Å | 1.49Å | |
| C53 | C55 | sing | 1.40Å | 1.40Å | Aromatic |
| C53 | C52 | doub | 1.38Å | 1.37Å | Aromatic |
| C55 | N60 | doub | 1.31Å | 1.33Å | Aromatic |
| O51 | C50 | doub | 1.22Å | 1.23Å | |
| N60 | N61 | sing | 1.28Å | 1.37Å | Aromatic |
| C52 | C50 | sing | 1.47Å | 1.49Å | |
| C52 | N61 | sing | 1.37Å | 1.36Å | Aromatic |
| C50 | N48 | sing | 1.35Å | 1.37Å | |
| C01 | C05 | sing | 1.53Å | 1.50Å | |
| N61 | C62 | sing | 1.46Å | 1.46Å | |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| N09 | C10 | doub | 1.31Å | 1.33Å | Aromatic |
| N09 | N08 | sing | 1.28Å | 1.37Å | Aromatic |
| N48 | C47 | sing | 1.38Å | 1.38Å | |
| C62 | C65 | sing | 1.53Å | 1.50Å | |
| N69 | C47 | doub | 1.31Å | 1.34Å | Aromatic |
| N69 | C70 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | N08 | sing | 1.47Å | 1.46Å | |
| N08 | C17 | sing | 1.37Å | 1.36Å | Aromatic |
| C47 | N46 | sing | 1.36Å | 1.37Å | Aromatic |
| C71 | C70 | doub | 1.39Å | 1.39Å | Aromatic |
| C71 | C73 | sing | 1.39Å | 1.40Å | Aromatic |
| C70 | C78 | sing | 1.41Å | 1.39Å | Aromatic |
| N80 | C79 | sing | 1.35Å | 1.33Å | |
| C15 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.49Å | |
| N46 | C78 | sing | 1.38Å | 1.39Å | Aromatic |
| N46 | C43 | sing | 1.47Å | 1.47Å | |
| C79 | C73 | sing | 1.48Å | 1.50Å | |
| C79 | O83 | doub | 1.22Å | 1.24Å | |
| C73 | C74 | doub | 1.40Å | 1.39Å | Aromatic |
| C78 | C76 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | C43 | sing | 1.53Å | 1.52Å | |
| C40 | C37 | sing | 1.53Å | 1.52Å | |
| C18 | N20 | sing | 1.35Å | 1.37Å | |
| C18 | O19 | doub | 1.22Å | 1.23Å | |
| N20 | C22 | sing | 1.38Å | 1.38Å | |
| C34 | C37 | sing | 1.53Å | 1.52Å | |
| C34 | N33 | sing | 1.47Å | 1.47Å | |
| C74 | C76 | sing | 1.37Å | 1.38Å | Aromatic |
| C22 | N33 | sing | 1.37Å | 1.37Å | Aromatic |
| C22 | N23 | doub | 1.31Å | 1.32Å | Aromatic |
| N33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| N23 | C24 | sing | 1.36Å | 1.40Å | Aromatic |
| C32 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C24 | sing | 1.41Å | 1.39Å | Aromatic |
| C30 | C28 | sing | 1.37Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C84 | sing | 1.48Å | 1.50Å | |
| C84 | N85 | sing | 1.35Å | 1.33Å | |
| C84 | O88 | doub | 1.22Å | 1.24Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C01 | H04 | sing | 1.09Å | 1.10Å | |
| C01 | H03 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C05 | H06 | sing | 1.09Å | 1.10Å | |
| C05 | H07 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | H44 | sing | 1.09Å | 1.10Å | |
| C43 | H45 | sing | 1.09Å | 1.10Å | |
| C53 | H54 | sing | 1.08Å | 1.08Å | |
| C56 | H59 | sing | 1.09Å | 1.10Å | |
| C56 | H58 | sing | 1.09Å | 1.10Å | |
| C56 | H57 | sing | 1.09Å | 1.10Å | |
| C62 | H63 | sing | 1.09Å | 1.10Å | |
| C62 | H64 | sing | 1.09Å | 1.10Å | |
| C65 | H66 | sing | 1.09Å | 1.10Å | |
| C65 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | H68 | sing | 1.09Å | 1.10Å | |
| C71 | H72 | sing | 1.08Å | 1.08Å | |
| C74 | H75 | sing | 1.08Å | 1.08Å | |
| C76 | H77 | sing | 1.08Å | 1.08Å | |
| N20 | H21 | sing | 0.97Å | 1.00Å | |
| N48 | H49 | sing | 0.97Å | 1.00Å | |
| N80 | H82 | sing | 0.97Å | 1.00Å | |
| N80 | H81 | sing | 0.97Å | 1.00Å | |
| N85 | H87 | sing | 0.97Å | 1.00Å | |
| N85 | H86 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C56 | C55 | C53 | 128.6° | 126.1° |
| C56 | C55 | N60 | 120.1° | 126.0° |
| C55 | C56 | H59 | 109.5° | 109.5° |
| C55 | C56 | H58 | 109.5° | 109.5° |
| C55 | C56 | H57 | 109.5° | 109.4° |
| C55 | C53 | C52 | 106.1° | 105.3° |
| C53 | C55 | N60 | 111.2° | 107.9° |
| C55 | C53 | H54 | 127.0° | 127.3° |
| C53 | C52 | C50 | 131.7° | 126.9° |
| C53 | C52 | N61 | 106.1° | 106.2° |
| C52 | C53 | H54 | 126.9° | 127.4° |
| C55 | N60 | N61 | 104.7° | 110.9° |
| O51 | C50 | C52 | 121.2° | 120.0° |
| O51 | C50 | N48 | 123.1° | 120.0° |
| N60 | N61 | C52 | 111.8° | 109.6° |
| N60 | N61 | C62 | 118.1° | 125.2° |
| C50 | C52 | N61 | 122.2° | 126.9° |
| C52 | C50 | N48 | 115.8° | 120.0° |
| C52 | N61 | C62 | 130.1° | 125.2° |
| C50 | N48 | C47 | 123.6° | 120.0° |
| C50 | N48 | H49 | 118.2° | 120.0° |
| C01 | C05 | N08 | 112.7° | 109.5° |
| C05 | C01 | H04 | 109.5° | 109.4° |
| C05 | C01 | H03 | 109.5° | 109.5° |
| C05 | C01 | H02 | 109.5° | 109.4° |
| C01 | C05 | H06 | 108.7° | 109.5° |
| C01 | C05 | H07 | 108.7° | 109.5° |
| N61 | C62 | C65 | 112.6° | 109.5° |
| N61 | C62 | H63 | 108.7° | 109.4° |
| N61 | C62 | H64 | 108.7° | 109.5° |
| C11 | C10 | N09 | 120.2° | 126.1° |
| C11 | C10 | C15 | 128.6° | 126.0° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | N09 | N08 | 105.0° | 111.0° |
| N09 | C10 | C15 | 111.2° | 107.8° |
| N09 | N08 | C05 | 118.4° | 125.3° |
| N09 | N08 | C17 | 111.6° | 109.6° |
| N48 | C47 | N69 | 125.0° | 125.0° |
| N48 | C47 | N46 | 122.6° | 125.1° |
| C47 | N48 | H49 | 118.2° | 120.0° |
| C65 | C62 | H63 | 108.7° | 109.5° |
| C65 | C62 | H64 | 108.7° | 109.5° |
| C62 | C65 | H66 | 109.5° | 109.5° |
| C62 | C65 | H67 | 109.5° | 109.5° |
| C62 | C65 | H68 | 109.4° | 109.5° |
| C47 | N69 | C70 | 104.6° | 109.5° |
| N69 | C47 | N46 | 112.3° | 109.9° |
| N69 | C70 | C71 | 130.0° | 133.4° |
| N69 | C70 | C78 | 110.4° | 107.1° |
| C10 | C15 | C17 | 105.7° | 105.3° |
| C10 | C15 | H16 | 127.1° | 127.3° |
| C05 | N08 | C17 | 130.0° | 125.1° |
| N08 | C05 | H06 | 108.7° | 109.5° |
| N08 | C05 | H07 | 108.7° | 109.4° |
| N08 | C17 | C15 | 106.5° | 106.2° |
| N08 | C17 | C18 | 122.3° | 126.9° |
| C47 | N46 | C78 | 107.0° | 107.4° |
| C47 | N46 | C43 | 127.1° | 126.3° |
| C70 | C71 | C73 | 118.8° | 119.5° |
| C71 | C70 | C78 | 119.6° | 119.5° |
| C70 | C71 | H72 | 120.6° | 120.2° |
| C71 | C73 | C79 | 119.5° | 119.9° |
| C71 | C73 | C74 | 120.4° | 120.2° |
| C73 | C71 | H72 | 120.6° | 120.2° |
| C70 | C78 | N46 | 105.6° | 106.1° |
| C70 | C78 | C76 | 122.1° | 120.2° |
| N80 | C79 | C73 | 117.9° | 120.0° |
| N80 | C79 | O83 | 122.7° | 120.0° |
| C79 | N80 | H82 | 120.0° | 120.0° |
| C79 | N80 | H81 | 120.0° | 120.0° |
| C15 | C17 | C18 | 131.2° | 126.9° |
| C17 | C15 | H16 | 127.2° | 127.4° |
| C17 | C18 | N20 | 116.1° | 120.0° |
| C17 | C18 | O19 | 121.2° | 120.0° |
| C78 | N46 | C43 | 125.8° | 126.3° |
| N46 | C78 | C76 | 132.3° | 133.7° |
| N46 | C43 | C40 | 112.9° | 109.4° |
| N46 | C43 | H44 | 108.6° | 109.5° |
| N46 | C43 | H45 | 108.6° | 109.4° |
| C73 | C79 | O83 | 119.5° | 120.0° |
| C79 | C73 | C74 | 120.1° | 119.9° |
| C73 | C74 | C76 | 121.2° | 120.5° |
| C73 | C74 | H75 | 119.4° | 119.8° |
| C78 | C76 | C74 | 117.9° | 120.1° |
| C78 | C76 | H77 | 121.1° | 119.9° |
| C43 | C40 | C37 | 113.3° | 109.4° |
| C43 | C40 | H41 | 108.5° | 109.5° |
| C43 | C40 | H42 | 108.5° | 109.4° |
| C40 | C43 | H44 | 108.6° | 109.5° |
| C40 | C43 | H45 | 108.6° | 109.5° |
| C40 | C37 | C34 | 113.1° | 109.5° |
| C40 | C37 | H38 | 108.6° | 109.5° |
| C40 | C37 | H39 | 108.5° | 109.4° |
| C37 | C40 | H41 | 108.5° | 109.5° |
| C37 | C40 | H42 | 108.5° | 109.5° |
| N20 | C18 | O19 | 122.7° | 120.0° |
| C18 | N20 | C22 | 121.7° | 120.0° |
| C18 | N20 | H21 | 119.1° | 120.0° |
| N20 | C22 | N33 | 122.7° | 125.0° |
| N20 | C22 | N23 | 124.2° | 125.0° |
| C22 | N20 | H21 | 119.1° | 120.0° |
| C37 | C34 | N33 | 112.9° | 109.5° |
| C37 | C34 | H35 | 108.6° | 109.5° |
| C37 | C34 | H36 | 108.6° | 109.5° |
| C34 | C37 | H38 | 108.5° | 109.5° |
| C34 | C37 | H39 | 108.5° | 109.5° |
| C34 | N33 | C22 | 127.8° | 126.3° |
| C34 | N33 | C32 | 125.9° | 126.3° |
| N33 | C34 | H35 | 108.6° | 109.4° |
| N33 | C34 | H36 | 108.6° | 109.5° |
| C76 | C74 | H75 | 119.4° | 119.8° |
| C74 | C76 | H77 | 121.1° | 119.9° |
| N33 | C22 | N23 | 113.1° | 109.9° |
| C22 | N33 | C32 | 106.3° | 107.4° |
| C22 | N23 | C24 | 104.7° | 109.5° |
| N33 | C32 | C30 | 132.2° | 133.7° |
| N33 | C32 | C24 | 105.8° | 106.1° |
| N23 | C24 | C32 | 110.1° | 107.0° |
| N23 | C24 | C25 | 130.1° | 133.4° |
| C30 | C32 | C24 | 121.9° | 120.1° |
| C32 | C30 | C28 | 117.9° | 120.2° |
| C32 | C30 | H31 | 121.1° | 119.9° |
| C32 | C24 | C25 | 119.9° | 119.6° |
| C30 | C28 | C27 | 121.2° | 120.4° |
| C30 | C28 | H29 | 119.4° | 119.8° |
| C28 | C30 | H31 | 121.0° | 119.9° |
| C24 | C25 | C27 | 118.7° | 119.5° |
| C24 | C25 | H26 | 120.6° | 120.2° |
| C28 | C27 | C25 | 120.3° | 120.2° |
| C28 | C27 | C84 | 120.2° | 119.9° |
| C27 | C28 | H29 | 119.4° | 119.8° |
| C25 | C27 | C84 | 119.5° | 119.9° |
| C27 | C25 | H26 | 120.6° | 120.3° |
| C27 | C84 | N85 | 117.8° | 120.0° |
| C27 | C84 | O88 | 119.5° | 120.0° |
| N85 | C84 | O88 | 122.7° | 120.0° |
| C84 | N85 | H87 | 120.0° | 120.0° |
| C84 | N85 | H86 | 120.0° | 120.0° |
| H04 | C01 | H03 | 109.4° | 109.5° |
| H04 | C01 | H02 | 109.4° | 109.5° |
| H03 | C01 | H02 | 109.5° | 109.5° |
| H06 | C05 | H07 | 109.4° | 109.5° |
| H13 | C11 | H12 | 109.4° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.5° | 109.4° |
| H35 | C34 | H36 | 109.5° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H41 | C40 | H42 | 109.5° | 109.5° |
| H44 | C43 | H45 | 109.4° | 109.5° |
| H59 | C56 | H58 | 109.5° | 109.5° |
| H59 | C56 | H57 | 109.5° | 109.5° |
| H58 | C56 | H57 | 109.4° | 109.5° |
| H63 | C62 | H64 | 109.5° | 109.5° |
| H66 | C65 | H67 | 109.4° | 109.5° |
| H66 | C65 | H68 | 109.5° | 109.5° |
| H67 | C65 | H68 | 109.5° | 109.4° |
| H82 | N80 | H81 | 120.0° | 120.0° |
| H87 | N85 | H86 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C56 | C55 | C53 | N60 | 180.0° | 179.9° |
| C56 | C55 | C53 | C52 | 179.7° | 180.0° |
| C56 | C55 | N60 | N61 | 179.8° | 179.7° |
| C56 | C55 | C53 | H54 | 0.3° | 0.1° |
| C55 | C56 | H59 | H58 | 120.0° | 120.0° |
| C55 | C56 | H59 | H57 | 120.0° | 119.9° |
| C55 | C56 | H58 | H57 | 120.0° | 120.0° |
| C55 | C53 | C52 | H54 | 180.0° | 180.0° |
| C53 | C55 | N60 | N61 | 0.2° | 0.2° |
| C55 | C53 | C52 | C50 | 178.8° | 180.0° |
| C55 | C53 | C52 | N61 | 0.6° | 0.3° |
| C53 | C55 | C56 | H59 | 180.0° | 89.9° |
| C53 | C55 | C56 | H58 | 60.0° | 150.0° |
| C53 | C55 | C56 | H57 | 60.0° | 30.0° |
| C52 | C53 | C55 | N60 | 0.3° | 0.0° |
| C53 | C52 | C50 | O51 | 45.3° | 174.9° |
| C53 | C52 | N61 | N60 | 0.8° | 0.4° |
| C53 | C52 | C50 | N61 | 177.9° | 179.7° |
| C53 | C52 | C50 | N48 | 135.0° | 5.1° |
| C53 | C52 | N61 | C62 | 179.6° | 179.8° |
| C55 | N60 | N61 | C52 | 0.6° | 0.4° |
| C55 | N60 | N61 | C62 | 179.8° | 179.8° |
| N60 | C55 | C53 | H54 | 179.8° | 180.0° |
| N60 | C55 | C56 | H59 | 0.0° | 90.0° |
| N60 | C55 | C56 | H58 | 120.0° | 30.1° |
| N60 | C55 | C56 | H57 | 120.0° | 150.1° |
| O51 | C50 | C52 | N48 | 179.7° | 179.9° |
| O51 | C50 | C52 | N61 | 132.6° | 4.8° |
| O51 | C50 | N48 | C47 | 1.4° | 4.8° |
| O51 | C50 | N48 | H49 | 178.7° | 175.3° |
| N60 | N61 | C52 | C50 | 179.1° | 179.8° |
| N60 | N61 | C52 | C62 | 179.6° | 179.8° |
| N60 | N61 | C62 | C65 | 69.6° | 84.9° |
| N60 | N61 | C62 | H63 | 169.9° | 155.1° |
| N60 | N61 | C62 | H64 | 50.8° | 35.2° |
| C50 | C52 | N61 | C62 | 1.3° | 0.0° |
| C52 | C50 | N48 | C47 | 178.3° | 175.3° |
| C50 | C52 | C53 | H54 | 1.3° | 0.0° |
| C52 | C50 | N48 | H49 | 1.7° | 4.7° |
| N61 | C52 | C50 | N48 | 47.1° | 175.2° |
| C52 | N61 | C62 | C65 | 109.9° | 94.9° |
| N61 | C52 | C53 | H54 | 179.4° | 179.8° |
| C52 | N61 | C62 | H63 | 10.5° | 25.1° |
| C52 | N61 | C62 | H64 | 129.6° | 145.1° |
| C50 | N48 | C47 | H49 | 180.0° | 179.9° |
| C50 | N48 | C47 | N69 | 1.2° | 0.4° |
| C50 | N48 | C47 | N46 | 176.5° | 180.0° |
| C01 | C05 | N08 | N09 | 4.4° | 85.3° |
| C01 | C05 | N08 | H06 | 120.5° | 120.0° |
| C01 | C05 | N08 | H07 | 120.5° | 120.0° |
| C01 | C05 | N08 | C17 | 175.3° | 94.9° |
| C05 | C01 | H04 | H03 | 120.0° | 120.0° |
| C05 | C01 | H04 | H02 | 120.0° | 119.9° |
| C05 | C01 | H03 | H02 | 120.0° | 119.9° |
| C01 | C05 | H06 | H07 | 118.5° | 120.1° |
| N61 | C62 | C65 | H63 | 120.5° | 120.0° |
| N61 | C62 | C65 | H64 | 120.5° | 120.0° |
| N61 | C62 | H63 | H64 | 118.5° | 120.0° |
| N61 | C62 | C65 | H66 | 180.0° | 60.0° |
| N61 | C62 | C65 | H67 | 60.0° | 60.0° |
| N61 | C62 | C65 | H68 | 60.0° | 180.0° |
| C11 | C10 | N09 | C15 | 179.8° | 179.8° |
| C11 | C10 | N09 | N08 | 180.0° | 179.8° |
| C11 | C10 | C15 | C17 | 179.6° | 180.0° |
| C11 | C10 | C15 | H16 | 0.4° | 0.1° |
| C10 | C11 | H13 | H12 | 120.0° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.1° |
| C10 | C11 | H12 | H14 | 120.0° | 120.1° |
| C10 | N09 | N08 | C05 | 179.8° | 179.8° |
| C10 | N09 | N08 | C17 | 0.5° | 0.4° |
| N09 | C10 | C15 | C17 | 0.1° | 0.2° |
| N09 | C10 | C15 | H16 | 179.8° | 179.7° |
| N09 | C10 | C11 | H13 | 0.0° | 89.7° |
| N09 | C10 | C11 | H12 | 120.0° | 30.3° |
| N09 | C10 | C11 | H14 | 120.0° | 150.3° |
| N08 | N09 | C10 | C15 | 0.2° | 0.4° |
| N09 | N08 | C05 | C17 | 179.6° | 179.8° |
| N09 | N08 | C17 | C15 | 0.6° | 0.3° |
| N09 | N08 | C17 | C18 | 179.2° | 179.7° |
| N09 | N08 | C05 | H06 | 116.1° | 154.7° |
| N09 | N08 | C05 | H07 | 124.9° | 34.7° |
| N48 | C47 | N69 | N46 | 177.9° | 179.7° |
| N48 | C47 | N69 | C70 | 178.7° | 179.7° |
| N48 | C47 | N46 | C78 | 178.7° | 179.9° |
| N48 | C47 | N46 | C43 | 1.6° | 0.0° |
| C65 | C62 | H63 | H64 | 118.6° | 120.0° |
| C62 | C65 | H66 | H67 | 120.0° | 120.0° |
| C62 | C65 | H66 | H68 | 120.0° | 120.1° |
| C62 | C65 | H67 | H68 | 120.0° | 120.0° |
| C47 | N69 | C70 | C71 | 179.6° | 179.8° |
| C47 | N69 | C70 | C78 | 0.4° | 0.2° |
| N69 | C47 | N46 | C78 | 0.7° | 0.3° |
| N69 | C47 | N46 | C43 | 179.6° | 179.7° |
| N69 | C47 | N48 | H49 | 178.8° | 179.7° |
| C70 | N69 | C47 | N46 | 0.7° | 0.0° |
| N69 | C70 | C71 | C78 | 180.0° | 179.6° |
| N69 | C70 | C71 | C73 | 179.9° | 179.5° |
| N69 | C70 | C78 | N46 | 0.0° | 0.3° |
| N69 | C70 | C78 | C76 | 180.0° | 179.6° |
| N69 | C70 | C71 | H72 | 0.1° | 0.4° |
| C10 | C15 | C17 | N08 | 0.5° | 0.0° |
| C10 | C15 | C17 | H16 | 180.0° | 179.9° |
| C10 | C15 | C17 | C18 | 178.8° | 180.0° |
| C15 | C10 | C11 | H13 | 179.8° | 90.1° |
| C15 | C10 | C11 | H12 | 60.2° | 149.9° |
| C15 | C10 | C11 | H14 | 59.7° | 29.9° |
| C05 | N08 | C17 | C15 | 179.7° | 179.9° |
| C05 | N08 | C17 | C18 | 1.2° | 0.1° |
| N08 | C05 | C01 | H04 | 180.0° | 60.0° |
| N08 | C05 | C01 | H03 | 60.0° | 60.0° |
| N08 | C05 | C01 | H02 | 60.0° | 179.9° |
| N08 | C05 | H06 | H07 | 118.5° | 119.9° |
| N08 | C17 | C15 | C18 | 178.4° | 180.0° |
| N08 | C17 | C18 | N20 | 50.8° | 175.1° |
| N08 | C17 | C18 | O19 | 128.6° | 5.0° |
| N08 | C17 | C15 | H16 | 179.5° | 179.9° |
| C17 | N08 | C05 | H06 | 64.2° | 25.1° |
| C17 | N08 | C05 | H07 | 54.7° | 145.1° |
| C47 | N46 | C78 | C70 | 0.4° | 0.3° |
| C47 | N46 | C78 | C43 | 179.7° | 180.0° |
| C47 | N46 | C78 | C76 | 179.6° | 179.6° |
| C47 | N46 | C43 | C40 | 65.5° | 90.0° |
| C47 | N46 | C43 | H44 | 174.0° | 30.0° |
| C47 | N46 | C43 | H45 | 55.1° | 150.0° |
| N46 | C47 | N48 | H49 | 3.4° | 0.1° |
| C70 | C71 | C73 | H72 | 180.0° | 179.9° |
| C71 | C70 | C78 | N46 | 180.0° | 180.0° |
| C70 | C71 | C73 | C79 | 179.9° | 180.0° |
| C70 | C71 | C73 | C74 | 0.1° | 0.1° |
| C71 | C70 | C78 | C76 | 0.0° | 0.1° |
| C73 | C71 | C70 | C78 | 0.1° | 0.1° |
| C71 | C73 | C79 | N80 | 37.9° | 180.0° |
| C71 | C73 | C79 | C74 | 179.8° | 180.0° |
| C71 | C73 | C79 | O83 | 142.3° | 0.0° |
| C71 | C73 | C74 | C76 | 0.0° | 0.1° |
| C71 | C73 | C74 | H75 | 180.0° | 179.9° |
| C70 | C78 | N46 | C76 | 180.0° | 179.9° |
| C70 | C78 | N46 | C43 | 179.9° | 179.6° |
| C70 | C78 | C76 | C74 | 0.1° | 0.1° |
| C78 | C70 | C71 | H72 | 179.9° | 180.0° |
| C70 | C78 | C76 | H77 | 179.9° | 179.9° |
| N80 | C79 | C73 | O83 | 179.8° | 180.0° |
| N80 | C79 | C73 | C74 | 141.9° | 0.0° |
| C79 | N80 | H82 | H81 | 180.0° | 180.0° |
| C15 | C17 | C18 | N20 | 131.0° | 4.9° |
| C15 | C17 | C18 | O19 | 49.5° | 175.0° |
| C17 | C18 | N20 | O19 | 179.5° | 179.9° |
| C17 | C18 | N20 | C22 | 178.1° | 174.7° |
| C18 | C17 | C15 | H16 | 1.2° | 0.1° |
| C17 | C18 | N20 | H21 | 1.9° | 5.3° |
| C78 | N46 | C43 | C40 | 114.1° | 90.0° |
| N46 | C78 | C76 | C74 | 179.9° | 180.0° |
| C78 | N46 | C43 | H44 | 6.4° | 150.0° |
| C78 | N46 | C43 | H45 | 125.3° | 30.0° |
| N46 | C78 | C76 | H77 | 0.0° | 0.0° |
| C43 | N46 | C78 | C76 | 0.1° | 0.5° |
| N46 | C43 | C40 | H44 | 120.5° | 120.0° |
| N46 | C43 | C40 | H45 | 120.5° | 120.0° |
| N46 | C43 | C40 | C37 | 92.4° | 180.0° |
| N46 | C43 | C40 | H41 | 147.0° | 60.0° |
| N46 | C43 | C40 | H42 | 28.2° | 60.0° |
| N46 | C43 | H44 | H45 | 118.4° | 120.0° |
| C79 | C73 | C74 | C76 | 179.8° | 180.0° |
| C79 | C73 | C71 | H72 | 0.1° | 0.0° |
| C79 | C73 | C74 | H75 | 0.2° | 0.0° |
| C73 | C79 | N80 | H82 | 179.8° | 0.1° |
| C73 | C79 | N80 | H81 | 0.2° | 180.0° |
| O83 | C79 | C73 | C74 | 37.9° | 180.0° |
| O83 | C79 | N80 | H82 | 0.0° | 180.0° |
| O83 | C79 | N80 | H81 | 180.0° | 0.0° |
| C73 | C74 | C76 | C78 | 0.1° | 0.1° |
| C73 | C74 | C76 | H75 | 180.0° | 180.0° |
| C74 | C73 | C71 | H72 | 179.9° | 180.0° |
| C73 | C74 | C76 | H77 | 179.9° | 179.9° |
| C78 | C76 | C74 | H77 | 180.0° | 180.0° |
| C78 | C76 | C74 | H75 | 179.9° | 179.9° |
| C43 | C40 | C37 | H41 | 120.6° | 120.0° |
| C43 | C40 | C37 | H42 | 120.6° | 120.0° |
| C43 | C40 | C37 | C34 | 177.9° | 180.0° |
| C43 | C40 | C37 | H38 | 61.6° | 60.0° |
| C43 | C40 | C37 | H39 | 57.3° | 60.0° |
| C43 | C40 | H41 | H42 | 118.3° | 120.0° |
| C40 | C43 | H44 | H45 | 118.4° | 120.0° |
| C40 | C37 | C34 | H38 | 120.6° | 120.0° |
| C40 | C37 | C34 | H39 | 120.5° | 119.9° |
| C40 | C37 | C34 | N33 | 96.7° | 180.0° |
| C40 | C37 | C34 | H35 | 23.8° | 60.1° |
| C40 | C37 | C34 | H36 | 142.8° | 60.0° |
| C40 | C37 | H38 | H39 | 118.3° | 120.0° |
| C37 | C40 | H41 | H42 | 118.3° | 120.0° |
| C37 | C40 | C43 | H44 | 28.1° | 60.0° |
| C37 | C40 | C43 | H45 | 147.0° | 60.1° |
| C18 | N20 | C22 | H21 | 180.0° | 180.0° |
| C18 | N20 | C22 | N33 | 164.7° | 180.0° |
| C18 | N20 | C22 | N23 | 13.0° | 0.3° |
| O19 | C18 | N20 | C22 | 1.4° | 5.4° |
| O19 | C18 | N20 | H21 | 178.7° | 174.6° |
| N20 | C22 | N33 | C34 | 1.8° | 0.3° |
| N20 | C22 | N33 | N23 | 178.0° | 179.7° |
| N20 | C22 | N33 | C32 | 178.9° | 179.7° |
| N20 | C22 | N23 | C24 | 178.8° | 179.7° |
| C37 | C34 | N33 | H35 | 120.5° | 120.0° |
| C37 | C34 | N33 | H36 | 120.5° | 120.0° |
| C37 | C34 | N33 | C22 | 96.2° | 90.0° |
| C37 | C34 | N33 | C32 | 83.0° | 90.0° |
| C37 | C34 | H35 | H36 | 118.4° | 120.0° |
| C34 | C37 | H38 | H39 | 118.3° | 120.0° |
| C34 | C37 | C40 | H41 | 57.3° | 60.0° |
| C34 | C37 | C40 | H42 | 61.6° | 60.0° |
| C34 | N33 | C22 | C32 | 179.4° | 180.0° |
| C34 | N33 | C22 | N23 | 179.7° | 180.0° |
| C34 | N33 | C32 | C30 | 0.1° | 0.1° |
| C34 | N33 | C32 | C24 | 179.9° | 180.0° |
| N33 | C34 | H35 | H36 | 118.5° | 120.0° |
| N33 | C34 | C37 | H38 | 142.8° | 60.0° |
| N33 | C34 | C37 | H39 | 23.9° | 60.1° |
| N33 | C22 | N23 | C24 | 0.9° | 0.0° |
| C22 | N33 | C32 | C30 | 179.5° | 179.9° |
| C22 | N33 | C32 | C24 | 0.5° | 0.0° |
| C22 | N33 | C34 | H35 | 24.2° | 30.0° |
| C22 | N33 | C34 | H36 | 143.2° | 150.0° |
| N33 | C22 | N20 | H21 | 15.2° | 0.0° |
| N23 | C22 | N33 | C32 | 0.9° | 0.0° |
| C22 | N23 | C24 | C32 | 0.5° | 0.0° |
| C22 | N23 | C24 | C25 | 179.7° | 180.0° |
| N23 | C22 | N20 | H21 | 167.0° | 179.7° |
| N33 | C32 | C24 | N23 | 0.0° | 0.0° |
| N33 | C32 | C30 | C24 | 180.0° | 179.9° |
| N33 | C32 | C30 | C28 | 179.9° | 180.0° |
| N33 | C32 | C24 | C25 | 179.8° | 180.0° |
| N33 | C32 | C30 | H31 | 0.0° | 0.1° |
| C32 | N33 | C34 | H35 | 156.5° | 150.0° |
| C32 | N33 | C34 | H36 | 37.5° | 30.0° |
| N23 | C24 | C32 | C30 | 180.0° | 179.9° |
| N23 | C24 | C32 | C25 | 179.8° | 180.0° |
| N23 | C24 | C25 | C27 | 179.9° | 180.0° |
| N23 | C24 | C25 | H26 | 0.1° | 0.1° |
| C32 | C30 | C28 | H31 | 180.0° | 179.9° |
| C30 | C32 | C24 | C25 | 0.2° | 0.0° |
| C32 | C30 | C28 | C27 | 0.1° | 0.1° |
| C32 | C30 | C28 | H29 | 179.9° | 180.0° |
| C24 | C32 | C30 | C28 | 0.1° | 0.1° |
| C32 | C24 | C25 | C27 | 0.3° | 0.0° |
| C32 | C24 | C25 | H26 | 179.8° | 180.0° |
| C24 | C32 | C30 | H31 | 179.9° | 180.0° |
| C30 | C28 | C27 | H29 | 180.0° | 180.0° |
| C30 | C28 | C27 | C25 | 0.2° | 0.0° |
| C30 | C28 | C27 | C84 | 179.8° | 179.9° |
| C24 | C25 | C27 | C28 | 0.3° | 0.0° |
| C24 | C25 | C27 | H26 | 180.0° | 180.0° |
| C24 | C25 | C27 | C84 | 179.9° | 179.9° |
| C28 | C27 | C25 | C84 | 179.6° | 179.9° |
| C28 | C27 | C84 | N85 | 130.3° | 0.1° |
| C28 | C27 | C84 | O88 | 49.6° | 180.0° |
| C28 | C27 | C25 | H26 | 179.7° | 180.0° |
| C27 | C28 | C30 | H31 | 179.9° | 180.0° |
| C25 | C27 | C84 | N85 | 49.4° | 180.0° |
| C25 | C27 | C84 | O88 | 130.7° | 0.1° |
| C25 | C27 | C28 | H29 | 179.8° | 180.0° |
| C27 | C84 | N85 | O88 | 179.9° | 179.9° |
| C84 | C27 | C28 | H29 | 0.2° | 0.1° |
| C84 | C27 | C25 | H26 | 0.1° | 0.1° |
| C27 | C84 | N85 | H87 | 179.9° | 0.1° |
| C27 | C84 | N85 | H86 | 0.1° | 180.0° |
| C84 | N85 | H87 | H86 | 180.0° | 180.0° |
| O88 | C84 | N85 | H87 | 0.0° | 180.0° |
| O88 | C84 | N85 | H86 | 180.0° | 0.0° |
| H29 | C28 | C30 | H31 | 0.1° | 0.1° |
| H04 | C01 | H03 | H02 | 119.9° | 120.1° |
| H04 | C01 | C05 | H06 | 59.5° | 60.0° |
| H04 | C01 | C05 | H07 | 59.5° | 180.0° |
| H03 | C01 | C05 | H06 | 60.5° | 180.0° |
| H03 | C01 | C05 | H07 | 179.5° | 59.9° |
| H02 | C01 | C05 | H06 | 179.5° | 60.1° |
| H02 | C01 | C05 | H07 | 60.5° | 60.0° |
| H13 | C11 | H12 | H14 | 120.0° | 119.9° |
| H35 | C34 | C37 | H38 | 96.7° | 60.0° |
| H35 | C34 | C37 | H39 | 144.4° | 180.0° |
| H36 | C34 | C37 | H38 | 22.2° | 180.0° |
| H36 | C34 | C37 | H39 | 96.7° | 60.0° |
| H38 | C37 | C40 | H41 | 177.9° | 180.0° |
| H38 | C37 | C40 | H42 | 59.0° | 60.0° |
| H39 | C37 | C40 | H41 | 63.2° | 60.0° |
| H39 | C37 | C40 | H42 | 177.9° | 180.0° |
| H41 | C40 | C43 | H44 | 92.4° | 180.0° |
| H41 | C40 | C43 | H45 | 26.5° | 60.0° |
| H42 | C40 | C43 | H44 | 148.7° | 60.0° |
| H42 | C40 | C43 | H45 | 92.4° | 180.0° |
| H59 | C56 | H58 | H57 | 120.0° | 120.0° |
| H63 | C62 | C65 | H66 | 59.5° | 60.0° |
| H63 | C62 | C65 | H67 | 179.5° | 180.0° |
| H63 | C62 | C65 | H68 | 60.5° | 60.0° |
| H64 | C62 | C65 | H66 | 59.5° | 180.0° |
| H64 | C62 | C65 | H67 | 60.4° | 60.0° |
| H64 | C62 | C65 | H68 | 179.5° | 60.0° |
| H66 | C65 | H67 | H68 | 120.0° | 120.0° |
| H75 | C74 | C76 | H77 | 0.1° | 0.1° |
