NCJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | O39 | doub | 1.21Å | 1.21Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | N7 | sing | 1.35Å | 1.33Å | |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| N16 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C18 | N16 | sing | 1.47Å | 1.48Å | |
| C36 | N16 | sing | 1.47Å | 1.47Å | |
| C27 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C30 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C30 | C33 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C33 | C36 | sing | 1.53Å | 1.52Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| N7 | C6 | sing | 1.40Å | 1.41Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C6 | C4 | doub | 1.37Å | 1.40Å | Aromatic |
| C6 | C40 | sing | 1.40Å | 1.41Å | Aromatic |
| C40 | C42 | doub | 1.36Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | C44 | sing | 1.41Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C3 | C44 | sing | 1.47Å | 1.41Å | Aromatic |
| N1 | C87 | sing | 1.33Å | 1.36Å | Aromatic |
| C44 | C45 | doub | 1.40Å | 1.41Å | Aromatic |
| C45 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C87 | C2 | sing | 1.47Å | 1.42Å | Aromatic |
| C2 | C47 | doub | 1.41Å | 1.39Å | Aromatic |
| C47 | C49 | sing | 1.36Å | 1.39Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C51 | C49 | doub | 1.40Å | 1.41Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C85 | C51 | sing | 1.37Å | 1.41Å | Aromatic |
| C51 | N52 | sing | 1.40Å | 1.40Å | |
| C87 | C85 | doub | 1.41Å | 1.40Å | Aromatic |
| C85 | H85 | sing | 1.08Å | 1.08Å | |
| C54 | N52 | sing | 1.35Å | 1.32Å | |
| N52 | HN52 | sing | 0.97Å | 1.00Å | |
| O84 | C54 | doub | 1.21Å | 1.22Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C58 | C55 | sing | 1.53Å | 1.53Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| C58 | N61 | sing | 1.47Å | 1.47Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C63 | N61 | sing | 1.47Å | 1.47Å | |
| N61 | C75 | sing | 1.47Å | 1.47Å | |
| C77 | C63 | sing | 1.53Å | 1.52Å | |
| C63 | C66 | sing | 1.53Å | 1.53Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C77 | H77 | sing | 1.09Å | 1.10Å | |
| C77 | H77A | sing | 1.09Å | 1.10Å | |
| C77 | H77B | sing | 1.09Å | 1.10Å | |
| C66 | C69 | sing | 1.53Å | 1.53Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H66A | sing | 1.09Å | 1.10Å | |
| C69 | C72 | sing | 1.53Å | 1.52Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C69 | H69A | sing | 1.09Å | 1.10Å | |
| C75 | C72 | sing | 1.53Å | 1.53Å | |
| C72 | H72 | sing | 1.09Å | 1.10Å | |
| C72 | H72A | sing | 1.09Å | 1.10Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C75 | H75A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C9 | C10 | 120.9° | 120.0° |
| O39 | C9 | N7 | 122.1° | 120.0° |
| C10 | C9 | N7 | 117.0° | 120.0° |
| C9 | C10 | C13 | 111.6° | 109.5° |
| C9 | C10 | H10 | 108.8° | 109.5° |
| C9 | C10 | H10A | 108.3° | 109.5° |
| C9 | N7 | C6 | 129.2° | 120.0° |
| C9 | N7 | HN7 | 115.4° | 120.1° |
| C13 | C10 | H10 | 108.8° | 109.4° |
| C13 | C10 | H10A | 108.3° | 109.5° |
| C10 | C13 | N16 | 113.8° | 109.5° |
| C10 | C13 | H13 | 108.1° | 109.5° |
| C10 | C13 | H13A | 107.1° | 109.5° |
| H10 | C10 | H10A | 111.1° | 109.4° |
| N16 | C13 | H13 | 108.1° | 109.5° |
| N16 | C13 | H13A | 107.1° | 109.5° |
| C13 | N16 | C18 | 114.9° | 111.0° |
| C13 | N16 | C36 | 113.0° | 111.0° |
| H13 | C13 | H13A | 112.9° | 109.4° |
| C18 | N16 | C36 | 108.4° | 111.2° |
| N16 | C18 | C27 | 111.8° | 109.5° |
| N16 | C18 | C20 | 114.3° | 109.4° |
| N16 | C18 | H18 | 104.3° | 109.4° |
| N16 | C36 | C33 | 108.3° | 109.5° |
| N16 | C36 | H36 | 109.9° | 109.5° |
| N16 | C36 | H36A | 110.1° | 109.5° |
| C27 | C18 | C20 | 109.4° | 109.5° |
| C27 | C18 | H18 | 109.7° | 109.5° |
| C18 | C27 | C30 | 106.6° | 109.3° |
| C18 | C27 | H27 | 110.5° | 109.5° |
| C18 | C27 | H27A | 111.1° | 109.5° |
| C20 | C18 | H18 | 107.0° | 109.5° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C18 | C20 | H20A | 109.5° | 109.4° |
| C18 | C20 | H20B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.4° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| C30 | C27 | H27 | 110.5° | 109.5° |
| C30 | C27 | H27A | 111.1° | 109.6° |
| C27 | C30 | C33 | 109.4° | 109.2° |
| C27 | C30 | H30 | 109.5° | 109.5° |
| C27 | C30 | H30A | 109.5° | 109.5° |
| H27 | C27 | H27A | 107.2° | 109.5° |
| C33 | C30 | H30 | 109.5° | 109.5° |
| C33 | C30 | H30A | 109.5° | 109.5° |
| C30 | C33 | C36 | 111.2° | 109.3° |
| C30 | C33 | H33 | 108.9° | 109.5° |
| C30 | C33 | H33A | 108.5° | 109.5° |
| H30 | C30 | H30A | 109.4° | 109.6° |
| C36 | C33 | H33 | 108.9° | 109.5° |
| C36 | C33 | H33A | 108.5° | 109.5° |
| C33 | C36 | H36 | 109.8° | 109.5° |
| C33 | C36 | H36A | 110.1° | 109.4° |
| H33 | C33 | H33A | 110.8° | 109.6° |
| H36 | C36 | H36A | 108.6° | 109.5° |
| C6 | N7 | HN7 | 115.4° | 120.0° |
| N7 | C6 | C4 | 123.3° | 119.2° |
| N7 | C6 | C40 | 117.6° | 119.2° |
| C4 | C6 | C40 | 119.0° | 121.6° |
| C6 | C4 | C3 | 120.0° | 119.6° |
| C6 | C4 | H4 | 120.0° | 120.2° |
| C6 | C40 | C42 | 121.2° | 121.5° |
| C6 | C40 | H40 | 119.4° | 119.3° |
| C42 | C40 | H40 | 119.4° | 119.3° |
| C40 | C42 | C44 | 119.3° | 119.6° |
| C40 | C42 | H42 | 120.4° | 120.2° |
| C44 | C42 | H42 | 120.3° | 120.2° |
| C42 | C44 | C3 | 119.9° | 119.2° |
| C42 | C44 | C45 | 119.9° | 121.1° |
| C3 | C4 | H4 | 120.0° | 120.2° |
| C4 | C3 | N1 | 119.5° | 120.8° |
| C4 | C3 | C44 | 120.5° | 118.5° |
| N1 | C3 | C44 | 120.0° | 120.7° |
| C3 | N1 | C87 | 121.3° | 121.5° |
| C3 | C44 | C45 | 120.2° | 119.6° |
| N1 | C87 | C2 | 120.0° | 120.7° |
| N1 | C87 | C85 | 119.6° | 120.8° |
| C44 | C45 | C2 | 118.5° | 117.9° |
| C44 | C45 | H45 | 120.8° | 121.1° |
| C2 | C45 | H45 | 120.7° | 121.0° |
| C45 | C2 | C87 | 120.0° | 119.6° |
| C45 | C2 | C47 | 119.4° | 121.2° |
| C87 | C2 | C47 | 120.6° | 119.2° |
| C2 | C87 | C85 | 120.3° | 118.5° |
| C2 | C47 | C49 | 119.0° | 119.7° |
| C2 | C47 | H47 | 120.5° | 120.1° |
| C49 | C47 | H47 | 120.5° | 120.2° |
| C47 | C49 | C51 | 121.0° | 121.5° |
| C47 | C49 | H49 | 119.5° | 119.3° |
| C51 | C49 | H49 | 119.5° | 119.2° |
| C49 | C51 | C85 | 120.2° | 121.5° |
| C49 | C51 | N52 | 116.7° | 119.3° |
| C85 | C51 | N52 | 122.8° | 119.2° |
| C51 | C85 | C87 | 118.7° | 119.6° |
| C51 | C85 | H85 | 120.6° | 120.2° |
| C51 | N52 | C54 | 127.3° | 120.0° |
| C51 | N52 | HN52 | 116.3° | 120.0° |
| C87 | C85 | H85 | 120.7° | 120.2° |
| C54 | N52 | HN52 | 116.4° | 120.0° |
| N52 | C54 | O84 | 123.7° | 120.0° |
| N52 | C54 | C55 | 113.1° | 120.0° |
| O84 | C54 | C55 | 123.1° | 120.0° |
| C54 | C55 | C58 | 111.3° | 109.5° |
| C54 | C55 | H55 | 108.9° | 109.5° |
| C54 | C55 | H55A | 108.5° | 109.5° |
| C58 | C55 | H55 | 108.9° | 109.4° |
| C58 | C55 | H55A | 108.5° | 109.4° |
| C55 | C58 | N61 | 110.6° | 109.5° |
| C55 | C58 | H58 | 109.1° | 109.5° |
| C55 | C58 | H58A | 108.9° | 109.5° |
| H55 | C55 | H55A | 110.9° | 109.5° |
| N61 | C58 | H58 | 109.1° | 109.4° |
| N61 | C58 | H58A | 108.9° | 109.5° |
| C58 | N61 | C63 | 107.5° | 111.0° |
| C58 | N61 | C75 | 118.3° | 111.0° |
| H58 | C58 | H58A | 110.3° | 109.4° |
| C63 | N61 | C75 | 112.5° | 111.2° |
| N61 | C63 | C77 | 108.4° | 109.5° |
| N61 | C63 | C66 | 108.8° | 109.5° |
| N61 | C63 | H63 | 110.1° | 109.4° |
| N61 | C75 | C72 | 110.2° | 109.6° |
| N61 | C75 | H75 | 109.2° | 109.4° |
| N61 | C75 | H75A | 109.1° | 109.5° |
| C77 | C63 | C66 | 107.9° | 109.5° |
| C77 | C63 | H63 | 110.9° | 109.5° |
| C63 | C77 | H77 | 109.5° | 109.5° |
| C63 | C77 | H77A | 109.5° | 109.5° |
| C63 | C77 | H77B | 109.5° | 109.4° |
| C66 | C63 | H63 | 110.6° | 109.4° |
| C63 | C66 | C69 | 111.4° | 109.3° |
| C63 | C66 | H66 | 108.8° | 109.5° |
| C63 | C66 | H66A | 108.4° | 109.5° |
| H77 | C77 | H77A | 109.5° | 109.5° |
| H77 | C77 | H77B | 109.4° | 109.5° |
| H77A | C77 | H77B | 109.5° | 109.4° |
| C69 | C66 | H66 | 108.9° | 109.5° |
| C69 | C66 | H66A | 108.4° | 109.5° |
| C66 | C69 | C72 | 109.4° | 109.2° |
| C66 | C69 | H69 | 109.5° | 109.5° |
| C66 | C69 | H69A | 109.5° | 109.5° |
| H66 | C66 | H66A | 110.9° | 109.5° |
| C72 | C69 | H69 | 109.5° | 109.5° |
| C72 | C69 | H69A | 109.5° | 109.5° |
| C69 | C72 | C75 | 110.3° | 109.2° |
| C69 | C72 | H72 | 109.2° | 109.5° |
| C69 | C72 | H72A | 109.0° | 109.5° |
| H69 | C69 | H69A | 109.4° | 109.5° |
| C75 | C72 | H72 | 109.2° | 109.5° |
| C75 | C72 | H72A | 109.0° | 109.6° |
| C72 | C75 | H75 | 109.2° | 109.5° |
| C72 | C75 | H75A | 109.1° | 109.4° |
| H72 | C72 | H72A | 110.1° | 109.5° |
| H75 | C75 | H75A | 110.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C9 | C10 | N7 | 179.3° | 179.7° |
| O39 | C9 | C10 | C13 | 16.0° | 0.0° |
| O39 | C9 | C10 | H10 | 104.0° | 120.0° |
| O39 | C9 | C10 | H10A | 135.1° | 120.0° |
| O39 | C9 | N7 | C6 | 5.2° | 4.7° |
| O39 | C9 | N7 | HN7 | 174.8° | 175.2° |
| C9 | C10 | C13 | H10 | 120.0° | 120.1° |
| C9 | C10 | C13 | H10A | 119.1° | 120.0° |
| C9 | C10 | H10 | H10A | 119.2° | 120.0° |
| C9 | C10 | C13 | N16 | 175.0° | 180.0° |
| C9 | C10 | C13 | H13 | 65.0° | 60.0° |
| C9 | C10 | C13 | H13A | 56.9° | 60.0° |
| C10 | C9 | N7 | C6 | 175.5° | 174.9° |
| C10 | C9 | N7 | HN7 | 4.5° | 5.1° |
| N7 | C9 | C10 | C13 | 163.3° | 179.7° |
| N7 | C9 | C10 | H10 | 76.7° | 59.7° |
| N7 | C9 | C10 | H10A | 44.2° | 60.3° |
| C9 | N7 | C6 | HN7 | 180.0° | 179.9° |
| C9 | N7 | C6 | C4 | 5.4° | 143.2° |
| C9 | N7 | C6 | C40 | 179.9° | 37.1° |
| C13 | C10 | H10 | H10A | 119.1° | 119.9° |
| C10 | C13 | N16 | H13 | 120.0° | 120.0° |
| C10 | C13 | N16 | H13A | 118.1° | 120.0° |
| C10 | C13 | H13 | H13A | 118.2° | 120.0° |
| C10 | C13 | N16 | C18 | 85.4° | 170.1° |
| C10 | C13 | N16 | C36 | 149.6° | 65.7° |
| H10 | C10 | C13 | N16 | 55.0° | 59.9° |
| H10 | C10 | C13 | H13 | 175.0° | 180.0° |
| H10 | C10 | C13 | H13A | 63.2° | 60.1° |
| H10A | C10 | C13 | N16 | 65.9° | 60.0° |
| H10A | C10 | C13 | H13 | 54.1° | 60.0° |
| H10A | C10 | C13 | H13A | 176.0° | 180.0° |
| N16 | C13 | H13 | H13A | 118.2° | 120.0° |
| C13 | N16 | C18 | C36 | 127.4° | 124.1° |
| C13 | N16 | C18 | C27 | 167.7° | 174.2° |
| C13 | N16 | C18 | C20 | 42.6° | 54.1° |
| C13 | N16 | C18 | H18 | 73.9° | 65.8° |
| C13 | N16 | C36 | C33 | 170.1° | 174.2° |
| C13 | N16 | C36 | H36 | 69.9° | 65.8° |
| C13 | N16 | C36 | H36A | 49.6° | 54.2° |
| H13 | C13 | N16 | C18 | 34.6° | 50.1° |
| H13 | C13 | N16 | C36 | 90.4° | 174.3° |
| H13A | C13 | N16 | C18 | 156.5° | 69.9° |
| H13A | C13 | N16 | C36 | 31.5° | 54.3° |
| N16 | C18 | C27 | C20 | 127.7° | 120.0° |
| N16 | C18 | C27 | H18 | 115.2° | 120.0° |
| N16 | C18 | C20 | H18 | 114.9° | 119.9° |
| N16 | C18 | C20 | H20 | 161.8° | 67.8° |
| N16 | C18 | C20 | H20A | 78.2° | 172.2° |
| N16 | C18 | C20 | H20B | 41.9° | 52.3° |
| N16 | C18 | C27 | C30 | 61.7° | 59.1° |
| N16 | C18 | C27 | H27 | 58.3° | 60.8° |
| N16 | C18 | C27 | H27A | 177.1° | 179.2° |
| C18 | N16 | C36 | C33 | 61.4° | 61.8° |
| C18 | N16 | C36 | H36 | 58.6° | 58.2° |
| C18 | N16 | C36 | H36A | 178.1° | 178.2° |
| C36 | N16 | C18 | C27 | 65.0° | 61.7° |
| C36 | N16 | C18 | C20 | 170.0° | 178.2° |
| C36 | N16 | C18 | H18 | 53.5° | 58.2° |
| N16 | C36 | C33 | C30 | 59.6° | 59.2° |
| N16 | C36 | C33 | H36 | 120.0° | 120.0° |
| N16 | C36 | C33 | H36A | 120.5° | 120.0° |
| N16 | C36 | C33 | H33 | 60.3° | 60.7° |
| N16 | C36 | C33 | H33A | 178.9° | 179.1° |
| N16 | C36 | H36 | H36A | 120.5° | 120.0° |
| C27 | C18 | C20 | H18 | 118.8° | 120.0° |
| C27 | C18 | C20 | H20 | 71.9° | 172.1° |
| C27 | C18 | C20 | H20A | 48.1° | 52.2° |
| C27 | C18 | C20 | H20B | 168.1° | 67.8° |
| C18 | C27 | C30 | H27 | 120.0° | 119.9° |
| C18 | C27 | C30 | H27A | 121.1° | 120.0° |
| C18 | C27 | H27 | H27A | 121.2° | 120.1° |
| C18 | C27 | C30 | C33 | 56.6° | 57.6° |
| C18 | C27 | C30 | H30 | 176.7° | 177.6° |
| C18 | C27 | C30 | H30A | 63.4° | 62.3° |
| C18 | C20 | H20 | H20A | 120.0° | 120.0° |
| C18 | C20 | H20 | H20B | 120.0° | 120.1° |
| C18 | C20 | H20A | H20B | 120.0° | 120.0° |
| C20 | C18 | C27 | C30 | 170.5° | 179.2° |
| C20 | C18 | C27 | H27 | 69.4° | 59.2° |
| C20 | C18 | C27 | H27A | 49.4° | 60.8° |
| H18 | C18 | C20 | H20 | 46.9° | 52.1° |
| H18 | C18 | C20 | H20A | 166.9° | 67.8° |
| H18 | C18 | C20 | H20B | 73.1° | 172.2° |
| H18 | C18 | C27 | C30 | 53.5° | 60.8° |
| H18 | C18 | C27 | H27 | 173.5° | 179.3° |
| H18 | C18 | C27 | H27A | 67.6° | 59.2° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| C30 | C27 | H27 | H27A | 121.2° | 120.1° |
| C27 | C30 | C33 | H30 | 120.0° | 119.9° |
| C27 | C30 | C33 | H30A | 120.0° | 119.9° |
| C27 | C30 | H30 | H30A | 120.0° | 120.2° |
| C27 | C30 | C33 | C36 | 58.2° | 57.7° |
| C27 | C30 | C33 | H33 | 61.8° | 62.3° |
| C27 | C30 | C33 | H33A | 177.5° | 177.6° |
| H27 | C27 | C30 | C33 | 63.4° | 62.3° |
| H27 | C27 | C30 | H30 | 56.6° | 57.6° |
| H27 | C27 | C30 | H30A | 176.6° | 177.8° |
| H27A | C27 | C30 | C33 | 177.7° | 177.6° |
| H27A | C27 | C30 | H30 | 62.2° | 62.5° |
| H27A | C27 | C30 | H30A | 57.7° | 57.7° |
| C33 | C30 | H30 | H30A | 120.0° | 120.1° |
| C30 | C33 | C36 | H33 | 120.0° | 119.9° |
| C30 | C33 | C36 | H33A | 119.3° | 119.9° |
| C30 | C33 | H33 | H33A | 119.3° | 120.1° |
| C30 | C33 | C36 | H36 | 60.4° | 60.8° |
| C30 | C33 | C36 | H36A | 179.9° | 179.2° |
| H30 | C30 | C33 | C36 | 178.2° | 177.6° |
| H30 | C30 | C33 | H33 | 58.2° | 57.7° |
| H30 | C30 | C33 | H33A | 62.5° | 62.5° |
| H30A | C30 | C33 | C36 | 61.8° | 62.3° |
| H30A | C30 | C33 | H33 | 178.2° | 177.8° |
| H30A | C30 | C33 | H33A | 57.4° | 57.7° |
| C36 | C33 | H33 | H33A | 119.3° | 120.1° |
| C33 | C36 | H36 | H36A | 120.4° | 119.9° |
| H33 | C33 | C36 | H36 | 179.6° | 179.3° |
| H33 | C33 | C36 | H36A | 60.1° | 59.3° |
| H33A | C33 | C36 | H36 | 58.9° | 59.1° |
| H33A | C33 | C36 | H36A | 60.6° | 60.9° |
| N7 | C6 | C4 | C40 | 174.7° | 179.7° |
| N7 | C6 | C40 | C42 | 176.1° | 180.0° |
| N7 | C6 | C40 | H40 | 3.9° | 0.0° |
| N7 | C6 | C4 | C3 | 176.4° | 180.0° |
| N7 | C6 | C4 | H4 | 3.6° | 0.1° |
| HN7 | N7 | C6 | C4 | 174.6° | 36.8° |
| HN7 | N7 | C6 | C40 | 0.1° | 142.9° |
| C4 | C6 | C40 | C42 | 1.2° | 0.3° |
| C4 | C6 | C40 | H40 | 178.8° | 179.7° |
| C6 | C4 | C3 | H4 | 180.0° | 179.9° |
| C6 | C4 | C3 | N1 | 178.5° | 180.0° |
| C6 | C4 | C3 | C44 | 1.9° | 0.0° |
| C6 | C40 | C42 | H40 | 180.0° | 180.0° |
| C6 | C40 | C42 | C44 | 0.7° | 0.0° |
| C6 | C40 | C42 | H42 | 179.3° | 179.9° |
| C40 | C6 | C4 | C3 | 1.7° | 0.3° |
| C40 | C6 | C4 | H4 | 178.3° | 179.8° |
| C40 | C42 | C44 | H42 | 180.0° | 179.9° |
| C40 | C42 | C44 | C3 | 0.8° | 0.3° |
| C40 | C42 | C44 | C45 | 179.4° | 180.0° |
| H40 | C40 | C42 | C44 | 179.3° | 180.0° |
| H40 | C40 | C42 | H42 | 0.7° | 0.1° |
| C42 | C44 | C3 | C4 | 1.4° | 0.3° |
| C42 | C44 | C3 | N1 | 179.0° | 179.7° |
| C42 | C44 | C3 | C45 | 178.6° | 179.7° |
| C42 | C44 | C45 | C2 | 179.8° | 180.0° |
| C42 | C44 | C45 | H45 | 0.2° | 0.0° |
| H42 | C42 | C44 | C3 | 179.3° | 179.8° |
| H42 | C42 | C44 | C45 | 0.6° | 0.1° |
| C4 | C3 | N1 | C44 | 179.6° | 180.0° |
| C4 | C3 | N1 | C87 | 178.8° | 180.0° |
| C4 | C3 | C44 | C45 | 180.0° | 180.0° |
| H4 | C4 | C3 | N1 | 1.5° | 0.1° |
| H4 | C4 | C3 | C44 | 178.1° | 180.0° |
| N1 | C3 | C44 | C45 | 0.4° | 0.0° |
| C3 | N1 | C87 | C2 | 1.3° | 0.2° |
| C3 | N1 | C87 | C85 | 179.1° | 179.1° |
| C44 | C3 | N1 | C87 | 0.9° | 0.0° |
| C3 | C44 | C45 | C2 | 1.2° | 0.3° |
| C3 | C44 | C45 | H45 | 178.9° | 179.7° |
| N1 | C87 | C2 | C45 | 0.5° | 0.5° |
| N1 | C87 | C2 | C85 | 179.6° | 178.9° |
| N1 | C87 | C2 | C47 | 179.3° | 179.9° |
| N1 | C87 | C85 | C51 | 178.6° | 179.9° |
| N1 | C87 | C85 | H85 | 1.4° | 0.5° |
| C44 | C45 | C2 | H45 | 180.0° | 180.0° |
| C44 | C45 | C2 | C87 | 0.7° | 0.5° |
| C44 | C45 | C2 | C47 | 179.5° | 180.0° |
| C45 | C2 | C87 | C47 | 179.7° | 179.5° |
| C45 | C2 | C47 | C49 | 178.5° | 180.0° |
| C45 | C2 | C47 | H47 | 1.5° | 0.0° |
| C45 | C2 | C87 | C85 | 179.9° | 179.5° |
| H45 | C45 | C2 | C87 | 179.3° | 179.5° |
| H45 | C45 | C2 | C47 | 0.5° | 0.0° |
| C87 | C2 | C47 | C49 | 1.8° | 0.5° |
| C87 | C2 | C47 | H47 | 178.2° | 179.5° |
| C2 | C87 | C85 | C51 | 1.0° | 1.0° |
| C2 | C87 | C85 | H85 | 179.0° | 179.4° |
| C2 | C47 | C49 | H47 | 180.0° | 179.9° |
| C2 | C47 | C49 | C51 | 3.9° | 0.1° |
| C2 | C47 | C49 | H49 | 176.1° | 180.0° |
| C47 | C2 | C87 | C85 | 0.3° | 1.0° |
| C47 | C49 | C51 | H49 | 180.0° | 179.9° |
| C47 | C49 | C51 | C85 | 4.7° | 0.1° |
| C47 | C49 | C51 | N52 | 178.3° | 180.0° |
| H47 | C47 | C49 | C51 | 176.0° | 180.0° |
| H47 | C47 | C49 | H49 | 3.9° | 0.1° |
| C49 | C51 | C85 | N52 | 173.2° | 180.0° |
| C49 | C51 | C85 | C87 | 3.1° | 0.6° |
| C49 | C51 | C85 | H85 | 176.9° | 179.9° |
| C49 | C51 | N52 | C54 | 179.1° | 33.8° |
| C49 | C51 | N52 | HN52 | 0.9° | 146.2° |
| H49 | C49 | C51 | C85 | 175.4° | 180.0° |
| H49 | C49 | C51 | N52 | 1.8° | 0.0° |
| C51 | C85 | C87 | H85 | 180.0° | 179.5° |
| C85 | C51 | N52 | C54 | 7.5° | 146.2° |
| C85 | C51 | N52 | HN52 | 172.5° | 33.8° |
| N52 | C51 | C85 | C87 | 176.3° | 179.5° |
| N52 | C51 | C85 | H85 | 3.7° | 0.1° |
| C51 | N52 | C54 | HN52 | 180.0° | 179.9° |
| C51 | N52 | C54 | O84 | 9.3° | 5.2° |
| C51 | N52 | C54 | C55 | 174.1° | 174.9° |
| N52 | C54 | O84 | C55 | 176.3° | 180.0° |
| N52 | C54 | C55 | C58 | 178.1° | 180.0° |
| N52 | C54 | C55 | H55 | 61.9° | 60.0° |
| N52 | C54 | C55 | H55A | 58.8° | 60.0° |
| HN52 | N52 | C54 | O84 | 170.7° | 174.9° |
| HN52 | N52 | C54 | C55 | 5.9° | 5.1° |
| O84 | C54 | C55 | C58 | 5.3° | 0.0° |
| O84 | C54 | C55 | H55 | 114.7° | 120.0° |
| O84 | C54 | C55 | H55A | 124.5° | 120.0° |
| C54 | C55 | C58 | H55 | 120.0° | 120.0° |
| C54 | C55 | C58 | H55A | 119.2° | 120.0° |
| C54 | C55 | H55 | H55A | 119.3° | 120.1° |
| C54 | C55 | C58 | N61 | 129.2° | 180.0° |
| C54 | C55 | C58 | H58 | 9.2° | 60.0° |
| C54 | C55 | C58 | H58A | 111.3° | 60.0° |
| C58 | C55 | H55 | H55A | 119.2° | 119.9° |
| C55 | C58 | N61 | H58 | 120.0° | 120.0° |
| C55 | C58 | N61 | H58A | 119.6° | 120.1° |
| C55 | C58 | H58 | H58A | 119.6° | 120.0° |
| C55 | C58 | N61 | C63 | 166.5° | 167.8° |
| C55 | C58 | N61 | C75 | 37.7° | 67.9° |
| H55 | C55 | C58 | N61 | 110.8° | 60.0° |
| H55 | C55 | C58 | H58 | 129.2° | 180.0° |
| H55 | C55 | C58 | H58A | 8.7° | 60.1° |
| H55A | C55 | C58 | N61 | 9.9° | 60.0° |
| H55A | C55 | C58 | H58 | 110.1° | 60.0° |
| H55A | C55 | C58 | H58A | 129.5° | 180.0° |
| N61 | C58 | H58 | H58A | 119.5° | 119.9° |
| C58 | N61 | C63 | C75 | 132.0° | 124.2° |
| C58 | N61 | C63 | C77 | 51.1° | 54.1° |
| C58 | N61 | C63 | C66 | 168.3° | 174.2° |
| C58 | N61 | C63 | H63 | 70.4° | 65.9° |
| C58 | N61 | C75 | C72 | 173.2° | 174.1° |
| C58 | N61 | C75 | H75 | 66.8° | 65.8° |
| C58 | N61 | C75 | H75A | 53.5° | 54.1° |
| H58 | C58 | N61 | C63 | 73.5° | 47.8° |
| H58 | C58 | N61 | C75 | 157.8° | 172.1° |
| H58A | C58 | N61 | C63 | 47.0° | 72.1° |
| H58A | C58 | N61 | C75 | 81.8° | 52.2° |
| N61 | C63 | C77 | C66 | 117.7° | 120.1° |
| N61 | C63 | C77 | H63 | 121.0° | 119.9° |
| N61 | C63 | C66 | H63 | 121.0° | 119.9° |
| N61 | C63 | C77 | H77 | 162.1° | 67.9° |
| N61 | C63 | C77 | H77A | 77.9° | 172.0° |
| N61 | C63 | C77 | H77B | 42.2° | 52.0° |
| N61 | C63 | C66 | C69 | 57.3° | 59.1° |
| N61 | C63 | C66 | H66 | 62.8° | 60.8° |
| N61 | C63 | C66 | H66A | 176.5° | 179.1° |
| C63 | N61 | C75 | C72 | 60.4° | 61.7° |
| C63 | N61 | C75 | H75 | 59.6° | 58.3° |
| C63 | N61 | C75 | H75A | 179.9° | 178.3° |
| C75 | N61 | C63 | C77 | 176.8° | 178.2° |
| C75 | N61 | C63 | C66 | 59.7° | 61.7° |
| C75 | N61 | C63 | H63 | 61.6° | 58.3° |
| N61 | C75 | C72 | C69 | 57.2° | 59.2° |
| N61 | C75 | C72 | H75 | 120.0° | 120.0° |
| N61 | C75 | C72 | H75A | 119.7° | 120.0° |
| N61 | C75 | C72 | H72 | 62.8° | 60.8° |
| N61 | C75 | C72 | H72A | 176.8° | 179.1° |
| N61 | C75 | H75 | H75A | 119.7° | 120.0° |
| C77 | C63 | C66 | H63 | 121.5° | 120.0° |
| C63 | C77 | H77 | H77A | 120.0° | 120.1° |
| C63 | C77 | H77 | H77B | 120.0° | 119.9° |
| C63 | C77 | H77A | H77B | 120.0° | 119.9° |
| C77 | C63 | C66 | C69 | 174.7° | 179.2° |
| C77 | C63 | C66 | H66 | 54.7° | 59.3° |
| C77 | C63 | C66 | H66A | 66.1° | 60.8° |
| C66 | C63 | C77 | H77 | 80.2° | 172.0° |
| C66 | C63 | C77 | H77A | 39.8° | 51.9° |
| C66 | C63 | C77 | H77B | 159.8° | 68.1° |
| C63 | C66 | C69 | H66 | 120.0° | 119.9° |
| C63 | C66 | C69 | H66A | 119.2° | 120.0° |
| C63 | C66 | H66 | H66A | 119.2° | 120.1° |
| C63 | C66 | C69 | C72 | 55.9° | 57.7° |
| C63 | C66 | C69 | H69 | 175.9° | 177.6° |
| C63 | C66 | C69 | H69A | 64.2° | 62.3° |
| H63 | C63 | C77 | H77 | 41.1° | 52.0° |
| H63 | C63 | C77 | H77A | 161.1° | 68.1° |
| H63 | C63 | C77 | H77B | 78.8° | 172.0° |
| H63 | C63 | C66 | C69 | 63.8° | 60.8° |
| H63 | C63 | C66 | H66 | 176.2° | 179.3° |
| H63 | C63 | C66 | H66A | 55.4° | 59.2° |
| H77 | C77 | H77A | H77B | 120.0° | 120.0° |
| C69 | C66 | H66 | H66A | 119.2° | 120.1° |
| C66 | C69 | C72 | H69 | 120.0° | 119.9° |
| C66 | C69 | C72 | H69A | 120.0° | 120.0° |
| C66 | C69 | H69 | H69A | 120.0° | 120.1° |
| C66 | C69 | C72 | C75 | 55.1° | 57.6° |
| C66 | C69 | C72 | H72 | 64.9° | 62.3° |
| C66 | C69 | C72 | H72A | 174.8° | 177.6° |
| H66 | C66 | C69 | C72 | 64.2° | 62.3° |
| H66 | C66 | C69 | H69 | 55.8° | 57.6° |
| H66 | C66 | C69 | H69A | 175.8° | 177.8° |
| H66A | C66 | C69 | C72 | 175.1° | 177.6° |
| H66A | C66 | C69 | H69 | 64.9° | 62.5° |
| H66A | C66 | C69 | H69A | 55.0° | 57.7° |
| C72 | C69 | H69 | H69A | 120.1° | 120.2° |
| C69 | C72 | C75 | H72 | 120.0° | 119.9° |
| C69 | C72 | C75 | H72A | 119.7° | 119.9° |
| C69 | C72 | H72 | H72A | 119.6° | 120.1° |
| C69 | C72 | C75 | H75 | 62.8° | 60.9° |
| C69 | C72 | C75 | H75A | 176.9° | 179.2° |
| H69 | C69 | C72 | C75 | 175.1° | 177.6° |
| H69 | C69 | C72 | H72 | 55.1° | 57.6° |
| H69 | C69 | C72 | H72A | 65.3° | 62.5° |
| H69A | C69 | C72 | C75 | 64.9° | 62.3° |
| H69A | C69 | C72 | H72 | 175.1° | 177.8° |
| H69A | C69 | C72 | H72A | 54.7° | 57.7° |
| C75 | C72 | H72 | H72A | 119.7° | 120.2° |
| C72 | C75 | H75 | H75A | 119.7° | 119.9° |
| H72 | C72 | C75 | H75 | 177.2° | 179.2° |
| H72 | C72 | C75 | H75A | 56.9° | 59.3° |
| H72A | C72 | C75 | H75 | 56.8° | 59.1° |
| H72A | C72 | C75 | H75A | 63.5° | 60.8° |
