NCK
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 | 1.53Å | |
| C9 | N7 | sing | 1.35Å | 1.34Å | |
| 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 | 1.48Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C36 | N16 | sing | 1.47Å | 1.47Å | |
| N16 | C18 | sing | 1.47Å | 1.47Å | |
| C27 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C30 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C33 | C30 | sing | 1.53Å | 1.52Å | |
| C20 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | H30 | 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 | |
| C33 | C36 | sing | 1.53Å | 1.53Å | |
| 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 | 1.42Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C6 | C4 | doub | 1.37Å | 1.40Å | Aromatic |
| C6 | C40 | sing | 1.40Å | 1.40Å | 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 | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C3 | C44 | sing | 1.47Å | 1.40Å | Aromatic |
| N1 | C87 | sing | 1.33Å | 1.36Å | Aromatic |
| C44 | C45 | doub | 1.40Å | 1.40Å | Aromatic |
| C45 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C87 | C2 | sing | 1.47Å | 1.41Å | Aromatic |
| C2 | C47 | doub | 1.41Å | 1.39Å | Aromatic |
| C87 | C85 | doub | 1.41Å | 1.40Å | Aromatic |
| C47 | C49 | sing | 1.36Å | 1.39Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C51 | C49 | doub | 1.40Å | 1.40Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C85 | C51 | sing | 1.37Å | 1.41Å | Aromatic |
| C51 | N52 | sing | 1.40Å | 1.41Å | |
| C85 | H85 | sing | 1.08Å | 1.08Å | |
| C54 | N52 | sing | 1.35Å | 1.34Å | |
| N52 | HN52 | sing | 0.97Å | 1.00Å | |
| O84 | C54 | doub | 1.21Å | 1.22Å | |
| C54 | C55 | sing | 1.51Å | 1.52Å | |
| 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 | 1.46Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C63 | N61 | sing | 1.47Å | 1.46Å | |
| N61 | C75 | sing | 1.47Å | 1.47Å | |
| C63 | C66 | sing | 1.53Å | 1.52Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | 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 | C77 | sing | 1.53Å | 1.53Å | |
| C69 | C72 | sing | 1.53Å | 1.53Å | |
| C69 | H69 | 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 | |
| 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 | 120.0° | 120.0° |
| O39 | C9 | N7 | 122.6° | 120.0° |
| C10 | C9 | N7 | 117.4° | 120.0° |
| C9 | C10 | C13 | 112.0° | 109.5° |
| C9 | C10 | H10 | 108.7° | 109.5° |
| C9 | C10 | H10A | 108.1° | 109.5° |
| C9 | N7 | C6 | 127.7° | 120.0° |
| C9 | N7 | HN7 | 116.2° | 120.0° |
| C13 | C10 | H10 | 108.7° | 109.5° |
| C13 | C10 | H10A | 108.1° | 109.5° |
| C10 | C13 | N16 | 113.2° | 109.5° |
| C10 | C13 | H13 | 108.2° | 109.4° |
| C10 | C13 | H13A | 107.4° | 109.5° |
| H10 | C10 | H10A | 111.4° | 109.4° |
| N16 | C13 | H13 | 108.2° | 109.5° |
| N16 | C13 | H13A | 107.4° | 109.5° |
| C13 | N16 | C36 | 112.9° | 111.0° |
| C13 | N16 | C18 | 117.8° | 111.0° |
| H13 | C13 | H13A | 112.4° | 109.5° |
| C36 | N16 | C18 | 119.5° | 111.1° |
| N16 | C36 | C33 | 111.7° | 109.5° |
| N16 | C36 | H36 | 108.7° | 109.4° |
| N16 | C36 | H36A | 108.2° | 109.5° |
| N16 | C18 | C27 | 111.1° | 109.6° |
| N16 | C18 | H18 | 108.9° | 109.5° |
| N16 | C18 | H18A | 108.6° | 109.4° |
| C27 | C18 | H18 | 109.0° | 109.5° |
| C27 | C18 | H18A | 108.6° | 109.4° |
| C18 | C27 | C30 | 111.5° | 109.3° |
| C18 | C27 | H27 | 108.8° | 109.5° |
| C18 | C27 | H27A | 108.3° | 109.5° |
| H18 | C18 | H18A | 110.8° | 109.5° |
| C30 | C27 | H27 | 108.8° | 109.6° |
| C30 | C27 | H27A | 108.3° | 109.5° |
| C27 | C30 | C33 | 106.3° | 109.2° |
| C27 | C30 | C20 | 112.2° | 109.5° |
| C27 | C30 | H30 | 110.4° | 109.5° |
| H27 | C27 | H27A | 111.0° | 109.5° |
| C33 | C30 | C20 | 111.2° | 109.6° |
| C33 | C30 | H30 | 111.4° | 109.5° |
| C30 | C33 | C36 | 111.3° | 109.3° |
| C30 | C33 | H33 | 108.9° | 109.5° |
| C30 | C33 | H33A | 108.4° | 109.5° |
| C20 | C30 | H30 | 105.4° | 109.6° |
| C30 | C20 | H20 | 109.5° | 109.5° |
| C30 | C20 | H20A | 109.5° | 109.5° |
| C30 | C20 | H20B | 109.4° | 109.5° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| C36 | C33 | H33 | 108.9° | 109.5° |
| C36 | C33 | H33A | 108.5° | 109.5° |
| C33 | C36 | H36 | 108.7° | 109.4° |
| C33 | C36 | H36A | 108.3° | 109.5° |
| H33 | C33 | H33A | 110.9° | 109.5° |
| H36 | C36 | H36A | 111.2° | 109.5° |
| C6 | N7 | HN7 | 116.2° | 120.0° |
| N7 | C6 | C4 | 124.4° | 119.2° |
| N7 | C6 | C40 | 117.5° | 119.2° |
| C4 | C6 | C40 | 118.0° | 121.6° |
| C6 | C4 | C3 | 120.5° | 119.6° |
| C6 | C4 | H4 | 119.7° | 120.2° |
| C6 | C40 | C42 | 121.9° | 121.5° |
| C6 | C40 | H40 | 119.0° | 119.2° |
| C42 | C40 | H40 | 119.1° | 119.3° |
| C40 | C42 | C44 | 119.7° | 119.7° |
| C40 | C42 | H42 | 120.1° | 120.1° |
| C44 | C42 | H42 | 120.2° | 120.2° |
| C42 | C44 | C3 | 119.4° | 119.2° |
| C42 | C44 | C45 | 120.4° | 121.2° |
| C3 | C4 | H4 | 119.8° | 120.2° |
| C4 | C3 | N1 | 119.9° | 120.8° |
| C4 | C3 | C44 | 120.5° | 118.5° |
| N1 | C3 | C44 | 119.6° | 120.7° |
| C3 | N1 | C87 | 121.8° | 121.4° |
| C3 | C44 | C45 | 120.2° | 119.6° |
| N1 | C87 | C2 | 120.0° | 120.7° |
| N1 | C87 | C85 | 119.6° | 120.8° |
| C44 | C45 | C2 | 119.0° | 117.9° |
| C44 | C45 | H45 | 120.5° | 121.0° |
| C2 | C45 | H45 | 120.5° | 121.1° |
| C45 | C2 | C87 | 119.3° | 119.6° |
| C45 | C2 | C47 | 120.6° | 121.2° |
| C87 | C2 | C47 | 120.1° | 119.2° |
| C2 | C87 | C85 | 120.4° | 118.5° |
| C2 | C47 | C49 | 119.5° | 119.7° |
| C2 | C47 | H47 | 120.3° | 120.2° |
| C87 | C85 | C51 | 119.4° | 119.6° |
| C87 | C85 | H85 | 120.3° | 120.2° |
| C49 | C47 | H47 | 120.3° | 120.1° |
| C47 | C49 | C51 | 121.2° | 121.4° |
| C47 | C49 | H49 | 119.4° | 119.2° |
| C51 | C49 | H49 | 119.4° | 119.3° |
| C49 | C51 | C85 | 119.4° | 121.6° |
| C49 | C51 | N52 | 118.5° | 119.2° |
| C85 | C51 | N52 | 121.9° | 119.2° |
| C51 | C85 | H85 | 120.3° | 120.2° |
| C51 | N52 | C54 | 128.7° | 120.0° |
| C51 | N52 | HN52 | 115.7° | 120.0° |
| C54 | N52 | HN52 | 115.6° | 120.0° |
| N52 | C54 | O84 | 123.8° | 120.0° |
| N52 | C54 | C55 | 115.7° | 120.0° |
| O84 | C54 | C55 | 120.5° | 120.0° |
| C54 | C55 | C58 | 110.8° | 109.5° |
| C54 | C55 | H55 | 109.0° | 109.5° |
| C54 | C55 | H55A | 108.7° | 109.4° |
| C58 | C55 | H55 | 109.0° | 109.5° |
| C58 | C55 | H55A | 108.8° | 109.5° |
| C55 | C58 | N61 | 113.5° | 109.5° |
| C55 | C58 | H58 | 108.1° | 109.4° |
| C55 | C58 | H58A | 107.2° | 109.4° |
| H55 | C55 | H55A | 110.5° | 109.4° |
| N61 | C58 | H58 | 108.1° | 109.5° |
| N61 | C58 | H58A | 107.2° | 109.5° |
| C58 | N61 | C63 | 112.0° | 111.0° |
| C58 | N61 | C75 | 117.6° | 111.0° |
| H58 | C58 | H58A | 112.7° | 109.5° |
| C63 | N61 | C75 | 119.2° | 111.2° |
| N61 | C63 | C66 | 110.2° | 109.6° |
| N61 | C63 | H63 | 109.2° | 109.5° |
| N61 | C63 | H63A | 109.0° | 109.4° |
| N61 | C75 | C72 | 109.0° | 109.5° |
| N61 | C75 | H75 | 109.6° | 109.4° |
| N61 | C75 | H75A | 109.8° | 109.5° |
| C66 | C63 | H63 | 109.2° | 109.5° |
| C66 | C63 | H63A | 109.1° | 109.5° |
| C63 | C66 | C69 | 110.6° | 109.3° |
| C63 | C66 | H66 | 109.1° | 109.5° |
| C63 | C66 | H66A | 108.8° | 109.5° |
| H63 | C63 | H63A | 110.0° | 109.5° |
| C69 | C66 | H66 | 109.1° | 109.5° |
| C69 | C66 | H66A | 108.8° | 109.5° |
| C66 | C69 | C77 | 111.0° | 109.5° |
| C66 | C69 | C72 | 109.3° | 109.2° |
| C66 | C69 | H69 | 109.4° | 109.5° |
| H66 | C66 | H66A | 110.4° | 109.6° |
| C77 | C69 | C72 | 112.0° | 109.5° |
| C77 | C69 | H69 | 106.6° | 109.5° |
| C69 | C77 | H77 | 109.5° | 109.5° |
| C69 | C77 | H77A | 109.5° | 109.5° |
| C69 | C77 | H77B | 109.5° | 109.4° |
| C72 | C69 | H69 | 108.5° | 109.6° |
| C69 | C72 | C75 | 111.8° | 109.3° |
| C69 | C72 | H72 | 108.7° | 109.5° |
| C69 | C72 | H72A | 108.2° | 109.5° |
| H77 | C77 | H77A | 109.5° | 109.5° |
| H77 | C77 | H77B | 109.5° | 109.5° |
| H77A | C77 | H77B | 109.5° | 109.5° |
| C75 | C72 | H72 | 108.7° | 109.5° |
| C75 | C72 | H72A | 108.2° | 109.5° |
| C72 | C75 | H75 | 109.6° | 109.4° |
| C72 | C75 | H75A | 109.7° | 109.5° |
| H72 | C72 | H72A | 111.3° | 109.5° |
| H75 | C75 | H75A | 109.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C9 | C10 | N7 | 178.6° | 179.7° |
| O39 | C9 | C10 | C13 | 9.9° | 0.0° |
| O39 | C9 | C10 | H10 | 110.1° | 120.0° |
| O39 | C9 | C10 | H10A | 128.8° | 120.0° |
| O39 | C9 | N7 | C6 | 3.5° | 4.5° |
| O39 | C9 | N7 | HN7 | 176.5° | 175.6° |
| C9 | C10 | C13 | H10 | 120.0° | 120.0° |
| C9 | C10 | C13 | H10A | 118.9° | 120.0° |
| C9 | C10 | H10 | H10A | 119.0° | 120.0° |
| C9 | C10 | C13 | N16 | 111.9° | 180.0° |
| C9 | C10 | C13 | H13 | 128.1° | 60.0° |
| C9 | C10 | C13 | H13A | 6.5° | 60.0° |
| C10 | C9 | N7 | C6 | 177.9° | 175.3° |
| C10 | C9 | N7 | HN7 | 2.1° | 4.7° |
| N7 | C9 | C10 | C13 | 168.7° | 179.7° |
| N7 | C9 | C10 | H10 | 71.3° | 59.7° |
| N7 | C9 | C10 | H10A | 49.8° | 60.2° |
| C9 | N7 | C6 | HN7 | 180.0° | 180.0° |
| C9 | N7 | C6 | C4 | 1.7° | 144.7° |
| C9 | N7 | C6 | C40 | 175.1° | 35.6° |
| C13 | C10 | H10 | H10A | 119.0° | 120.0° |
| C10 | C13 | N16 | H13 | 120.0° | 119.9° |
| C10 | C13 | N16 | H13A | 118.4° | 120.0° |
| C10 | C13 | H13 | H13A | 118.5° | 120.0° |
| C10 | C13 | N16 | C36 | 156.6° | 65.8° |
| C10 | C13 | N16 | C18 | 57.7° | 170.0° |
| H10 | C10 | C13 | N16 | 8.2° | 60.0° |
| H10 | C10 | C13 | H13 | 111.9° | 180.0° |
| H10 | C10 | C13 | H13A | 126.5° | 60.0° |
| H10A | C10 | C13 | N16 | 129.2° | 60.0° |
| H10A | C10 | C13 | H13 | 9.2° | 60.0° |
| H10A | C10 | C13 | H13A | 112.4° | 180.0° |
| N16 | C13 | H13 | H13A | 118.5° | 120.0° |
| C13 | N16 | C36 | C18 | 145.1° | 124.1° |
| C13 | N16 | C18 | C27 | 174.8° | 174.1° |
| C13 | N16 | C18 | H18 | 65.2° | 65.8° |
| C13 | N16 | C18 | H18A | 55.5° | 54.1° |
| C13 | N16 | C36 | C33 | 173.1° | 174.1° |
| C13 | N16 | C36 | H36 | 53.1° | 54.2° |
| C13 | N16 | C36 | H36A | 67.8° | 65.8° |
| H13 | C13 | N16 | C36 | 36.6° | 54.2° |
| H13 | C13 | N16 | C18 | 177.7° | 70.0° |
| H13A | C13 | N16 | C36 | 85.0° | 174.2° |
| H13A | C13 | N16 | C18 | 60.7° | 50.0° |
| C36 | N16 | C18 | C27 | 41.8° | 61.7° |
| C36 | N16 | C18 | H18 | 78.3° | 58.3° |
| C36 | N16 | C18 | H18A | 161.1° | 178.3° |
| N16 | C36 | C33 | C30 | 51.7° | 59.2° |
| N16 | C36 | C33 | H36 | 120.0° | 119.9° |
| N16 | C36 | C33 | H36A | 119.0° | 120.1° |
| N16 | C36 | C33 | H33 | 171.8° | 179.2° |
| N16 | C36 | C33 | H33A | 67.5° | 60.7° |
| N16 | C36 | H36 | H36A | 119.1° | 120.0° |
| N16 | C18 | C27 | H18 | 120.0° | 120.0° |
| N16 | C18 | C27 | H18A | 119.3° | 120.0° |
| N16 | C18 | H18 | H18A | 119.3° | 119.9° |
| N16 | C18 | C27 | C30 | 51.8° | 59.2° |
| N16 | C18 | C27 | H27 | 171.8° | 179.2° |
| N16 | C18 | C27 | H27A | 67.3° | 60.7° |
| C18 | N16 | C36 | C33 | 41.8° | 61.8° |
| C18 | N16 | C36 | H36 | 161.8° | 178.3° |
| C18 | N16 | C36 | H36A | 77.3° | 58.3° |
| C27 | C18 | H18 | H18A | 119.3° | 120.0° |
| C18 | C27 | C30 | H27 | 120.0° | 120.0° |
| C18 | C27 | C30 | H27A | 119.2° | 119.9° |
| C18 | C27 | H27 | H27A | 119.2° | 120.0° |
| C18 | C27 | C30 | C33 | 62.7° | 57.6° |
| C18 | C27 | C30 | C20 | 175.5° | 177.6° |
| C18 | C27 | C30 | H30 | 58.2° | 62.2° |
| H18 | C18 | C27 | C30 | 68.2° | 60.9° |
| H18 | C18 | C27 | H27 | 51.8° | 59.1° |
| H18 | C18 | C27 | H27A | 172.7° | 179.2° |
| H18A | C18 | C27 | C30 | 171.1° | 179.2° |
| H18A | C18 | C27 | H27 | 68.9° | 60.8° |
| H18A | C18 | C27 | H27A | 52.0° | 59.2° |
| C30 | C27 | H27 | H27A | 119.1° | 120.1° |
| C27 | C30 | C33 | C20 | 122.4° | 119.9° |
| C27 | C30 | C33 | H30 | 120.3° | 119.9° |
| C27 | C30 | C20 | H30 | 120.2° | 120.1° |
| C27 | C30 | C20 | H20 | 143.1° | 60.0° |
| C27 | C30 | C20 | H20A | 96.9° | 180.0° |
| C27 | C30 | C20 | H20B | 23.1° | 60.0° |
| C27 | C30 | C33 | C36 | 62.4° | 57.7° |
| C27 | C30 | C33 | H33 | 177.6° | 177.6° |
| C27 | C30 | C33 | H33A | 56.9° | 62.3° |
| H27 | C27 | C30 | C33 | 177.2° | 177.6° |
| H27 | C27 | C30 | C20 | 55.4° | 62.4° |
| H27 | C27 | C30 | H30 | 61.8° | 57.8° |
| H27A | C27 | C30 | C33 | 56.4° | 62.2° |
| H27A | C27 | C30 | C20 | 65.4° | 57.7° |
| H27A | C27 | C30 | H30 | 177.3° | 177.9° |
| C33 | C30 | C20 | H30 | 120.8° | 120.2° |
| C33 | C30 | C20 | H20 | 24.1° | 59.7° |
| C33 | C30 | C20 | H20A | 144.1° | 60.3° |
| C33 | C30 | C20 | H20B | 95.9° | 179.7° |
| C30 | C33 | C36 | H33 | 120.0° | 119.9° |
| C30 | C33 | C36 | H33A | 119.2° | 120.0° |
| C30 | C33 | H33 | H33A | 119.2° | 120.1° |
| C30 | C33 | C36 | H36 | 171.8° | 179.2° |
| C30 | C33 | C36 | H36A | 67.3° | 60.8° |
| C30 | C20 | H20 | H20A | 120.0° | 120.0° |
| C30 | C20 | H20 | H20B | 120.0° | 120.0° |
| C30 | C20 | H20A | H20B | 120.0° | 120.0° |
| C20 | C30 | C33 | C36 | 175.2° | 177.6° |
| C20 | C30 | C33 | H33 | 55.2° | 62.5° |
| C20 | C30 | C33 | H33A | 65.6° | 57.6° |
| H30 | C30 | C20 | H20 | 96.7° | 179.9° |
| H30 | C30 | C20 | H20A | 23.2° | 59.9° |
| H30 | C30 | C20 | H20B | 143.2° | 60.1° |
| H30 | C30 | C33 | C36 | 57.9° | 62.2° |
| H30 | C30 | C33 | H33 | 62.1° | 57.7° |
| H30 | C30 | C33 | H33A | 177.1° | 177.8° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| C36 | C33 | H33 | H33A | 119.3° | 120.1° |
| C33 | C36 | H36 | H36A | 119.1° | 120.0° |
| H33 | C33 | C36 | H36 | 68.2° | 60.9° |
| H33 | C33 | C36 | H36A | 52.7° | 59.1° |
| H33A | C33 | C36 | H36 | 52.5° | 59.2° |
| H33A | C33 | C36 | H36A | 173.5° | 179.2° |
| N7 | C6 | C4 | C40 | 176.7° | 179.7° |
| N7 | C6 | C40 | C42 | 178.2° | 180.0° |
| N7 | C6 | C40 | H40 | 1.8° | 0.0° |
| N7 | C6 | C4 | C3 | 177.8° | 180.0° |
| N7 | C6 | C4 | H4 | 2.2° | 0.0° |
| HN7 | N7 | C6 | C4 | 178.4° | 35.3° |
| HN7 | N7 | C6 | C40 | 4.9° | 144.4° |
| C4 | C6 | C40 | C42 | 1.3° | 0.3° |
| C4 | C6 | C40 | H40 | 178.7° | 179.8° |
| C6 | C4 | C3 | H4 | 180.0° | 180.0° |
| C6 | C4 | C3 | N1 | 179.2° | 180.0° |
| C6 | C4 | C3 | C44 | 0.5° | 0.1° |
| C6 | C40 | C42 | H40 | 180.0° | 179.9° |
| C6 | C40 | C42 | C44 | 0.8° | 0.1° |
| C6 | C40 | C42 | H42 | 179.3° | 180.0° |
| C40 | C6 | C4 | C3 | 1.1° | 0.3° |
| C40 | C6 | C4 | H4 | 178.9° | 179.7° |
| C40 | C42 | C44 | H42 | 180.0° | 180.0° |
| C40 | C42 | C44 | C3 | 0.1° | 0.2° |
| C40 | C42 | C44 | C45 | 179.6° | 180.0° |
| H40 | C40 | C42 | C44 | 179.3° | 180.0° |
| H40 | C40 | C42 | H42 | 0.7° | 0.0° |
| C42 | C44 | C3 | C4 | 0.1° | 0.2° |
| C42 | C44 | C3 | N1 | 179.8° | 179.8° |
| C42 | C44 | C3 | C45 | 179.7° | 179.8° |
| C42 | C44 | C45 | C2 | 179.8° | 180.0° |
| C42 | C44 | C45 | H45 | 0.2° | 0.1° |
| H42 | C42 | C44 | C3 | 180.0° | 179.8° |
| H42 | C42 | C44 | C45 | 0.4° | 0.0° |
| C4 | C3 | N1 | C44 | 179.7° | 180.0° |
| C4 | C3 | N1 | C87 | 179.7° | 180.0° |
| C4 | C3 | C44 | C45 | 179.7° | 180.0° |
| H4 | C4 | C3 | N1 | 0.7° | 0.0° |
| H4 | C4 | C3 | C44 | 179.5° | 180.0° |
| N1 | C3 | C44 | C45 | 0.6° | 0.1° |
| C3 | N1 | C87 | C2 | 0.3° | 0.2° |
| C3 | N1 | C87 | C85 | 179.7° | 180.0° |
| C44 | C3 | N1 | C87 | 0.6° | 0.0° |
| C3 | C44 | C45 | C2 | 0.2° | 0.2° |
| C3 | C44 | C45 | H45 | 179.8° | 179.8° |
| N1 | C87 | C2 | C45 | 0.1° | 0.5° |
| N1 | C87 | C2 | C85 | 180.0° | 179.8° |
| N1 | C87 | C2 | C47 | 179.9° | 180.0° |
| N1 | C87 | C85 | C51 | 179.1° | 179.2° |
| N1 | C87 | C85 | H85 | 0.9° | 0.0° |
| C44 | C45 | C2 | H45 | 180.0° | 180.0° |
| C44 | C45 | C2 | C87 | 0.1° | 0.4° |
| C44 | C45 | C2 | C47 | 179.9° | 180.0° |
| C45 | C2 | C87 | C47 | 179.8° | 179.5° |
| C45 | C2 | C87 | C85 | 180.0° | 179.8° |
| C45 | C2 | C47 | C49 | 179.8° | 179.9° |
| C45 | C2 | C47 | H47 | 0.2° | 0.0° |
| H45 | C45 | C2 | C87 | 179.9° | 179.5° |
| H45 | C45 | C2 | C47 | 0.1° | 0.0° |
| C87 | C2 | C47 | C49 | 0.4° | 0.5° |
| C87 | C2 | C47 | H47 | 179.6° | 179.5° |
| C2 | C87 | C85 | C51 | 0.9° | 0.6° |
| C2 | C87 | C85 | H85 | 179.1° | 179.8° |
| C47 | C2 | C87 | C85 | 0.2° | 0.2° |
| C2 | C47 | C49 | H47 | 180.0° | 179.9° |
| C2 | C47 | C49 | C51 | 1.4° | 0.1° |
| C2 | C47 | C49 | H49 | 178.6° | 180.0° |
| C87 | C85 | C51 | C49 | 1.9° | 1.1° |
| C87 | C85 | C51 | H85 | 180.0° | 179.2° |
| C87 | C85 | C51 | N52 | 176.9° | 179.7° |
| C47 | C49 | C51 | H49 | 180.0° | 180.0° |
| C47 | C49 | C51 | C85 | 2.2° | 0.8° |
| C47 | C49 | C51 | N52 | 177.3° | 180.0° |
| H47 | C47 | C49 | C51 | 178.6° | 180.0° |
| H47 | C47 | C49 | H49 | 1.4° | 0.1° |
| C49 | C51 | C85 | N52 | 175.0° | 179.2° |
| C49 | C51 | C85 | H85 | 178.1° | 179.7° |
| C49 | C51 | N52 | C54 | 171.7° | 144.7° |
| C49 | C51 | N52 | HN52 | 8.3° | 35.3° |
| H49 | C49 | C51 | C85 | 177.8° | 179.2° |
| H49 | C49 | C51 | N52 | 2.7° | 0.0° |
| C85 | C51 | N52 | C54 | 13.3° | 36.1° |
| C85 | C51 | N52 | HN52 | 166.7° | 144.0° |
| N52 | C51 | C85 | H85 | 3.1° | 0.5° |
| C51 | N52 | C54 | HN52 | 180.0° | 180.0° |
| C51 | N52 | C54 | O84 | 5.8° | 4.4° |
| C51 | N52 | C54 | C55 | 175.3° | 175.5° |
| N52 | C54 | O84 | C55 | 178.9° | 179.9° |
| N52 | C54 | C55 | C58 | 172.1° | 180.0° |
| N52 | C54 | C55 | H55 | 52.1° | 59.9° |
| N52 | C54 | C55 | H55A | 68.4° | 60.0° |
| HN52 | N52 | C54 | O84 | 174.2° | 175.6° |
| HN52 | N52 | C54 | C55 | 4.7° | 4.5° |
| O84 | C54 | C55 | C58 | 6.8° | 0.1° |
| O84 | C54 | C55 | H55 | 126.9° | 119.9° |
| O84 | C54 | C55 | H55A | 112.6° | 120.1° |
| C54 | C55 | C58 | H55 | 120.0° | 120.1° |
| C54 | C55 | C58 | H55A | 119.4° | 119.9° |
| C54 | C55 | H55 | H55A | 119.4° | 119.9° |
| C54 | C55 | C58 | N61 | 127.9° | 180.0° |
| C54 | C55 | C58 | H58 | 7.9° | 59.9° |
| C54 | C55 | C58 | H58A | 113.9° | 60.1° |
| C58 | C55 | H55 | H55A | 119.5° | 120.0° |
| C55 | C58 | N61 | H58 | 120.0° | 120.0° |
| C55 | C58 | N61 | H58A | 118.2° | 120.0° |
| C55 | C58 | H58 | H58A | 118.4° | 120.0° |
| C55 | C58 | N61 | C63 | 156.3° | 65.8° |
| C55 | C58 | N61 | C75 | 60.1° | 170.0° |
| H55 | C55 | C58 | N61 | 112.1° | 60.0° |
| H55 | C55 | C58 | H58 | 127.9° | 180.0° |
| H55 | C55 | C58 | H58A | 6.1° | 60.0° |
| H55A | C55 | C58 | N61 | 8.4° | 60.0° |
| H55A | C55 | C58 | H58 | 111.5° | 60.0° |
| H55A | C55 | C58 | H58A | 126.6° | 180.0° |
| N61 | C58 | H58 | H58A | 118.3° | 120.0° |
| C58 | N61 | C63 | C75 | 143.0° | 124.2° |
| C58 | N61 | C63 | C66 | 165.8° | 174.2° |
| C58 | N61 | C63 | H63 | 45.8° | 54.1° |
| C58 | N61 | C63 | H63A | 74.5° | 65.8° |
| C58 | N61 | C75 | C72 | 168.6° | 174.2° |
| C58 | N61 | C75 | H75 | 71.4° | 65.9° |
| C58 | N61 | C75 | H75A | 48.4° | 54.1° |
| H58 | C58 | N61 | C63 | 36.3° | 54.2° |
| H58 | C58 | N61 | C75 | 179.9° | 70.1° |
| H58A | C58 | N61 | C63 | 85.5° | 174.3° |
| H58A | C58 | N61 | C75 | 58.1° | 50.0° |
| N61 | C63 | C66 | H63 | 120.0° | 120.0° |
| N61 | C63 | C66 | H63A | 119.7° | 120.0° |
| N61 | C63 | H63 | H63A | 119.7° | 119.9° |
| N61 | C63 | C66 | C69 | 52.9° | 59.1° |
| N61 | C63 | C66 | H66 | 67.1° | 60.8° |
| N61 | C63 | C66 | H66A | 172.4° | 179.1° |
| C63 | N61 | C75 | C72 | 50.4° | 61.7° |
| C63 | N61 | C75 | H75 | 69.6° | 58.3° |
| C63 | N61 | C75 | H75A | 170.6° | 178.3° |
| C75 | N61 | C63 | C66 | 51.2° | 61.7° |
| C75 | N61 | C63 | H63 | 171.2° | 178.3° |
| C75 | N61 | C63 | H63A | 68.5° | 58.3° |
| N61 | C75 | C72 | C69 | 52.3° | 59.1° |
| N61 | C75 | C72 | H75 | 120.0° | 120.0° |
| N61 | C75 | C72 | H75A | 120.2° | 120.1° |
| N61 | C75 | C72 | H72 | 67.7° | 60.8° |
| N61 | C75 | C72 | H72A | 171.3° | 179.1° |
| N61 | C75 | H75 | H75A | 120.2° | 120.0° |
| C66 | C63 | H63 | H63A | 119.7° | 120.0° |
| C63 | C66 | C69 | H66 | 120.0° | 119.9° |
| C63 | C66 | C69 | H66A | 119.5° | 120.0° |
| C63 | C66 | H66 | H66A | 119.5° | 120.1° |
| C63 | C66 | C69 | C77 | 177.9° | 177.6° |
| C63 | C66 | C69 | C72 | 58.1° | 57.6° |
| C63 | C66 | C69 | H69 | 60.5° | 62.4° |
| H63 | C63 | C66 | C69 | 172.9° | 179.2° |
| H63 | C63 | C66 | H66 | 52.9° | 59.3° |
| H63 | C63 | C66 | H66A | 67.6° | 60.9° |
| H63A | C63 | C66 | C69 | 66.8° | 60.9° |
| H63A | C63 | C66 | H66 | 173.2° | 179.3° |
| H63A | C63 | C66 | H66A | 52.7° | 59.1° |
| C69 | C66 | H66 | H66A | 119.5° | 120.1° |
| C66 | C69 | C77 | C72 | 122.5° | 119.7° |
| C66 | C69 | C77 | H69 | 119.1° | 120.1° |
| C66 | C69 | C72 | H69 | 119.2° | 120.0° |
| C66 | C69 | C77 | H77 | 26.4° | 59.9° |
| C66 | C69 | C77 | H77A | 146.4° | 180.0° |
| C66 | C69 | C77 | H77B | 93.7° | 60.0° |
| C66 | C69 | C72 | C75 | 58.5° | 57.6° |
| C66 | C69 | C72 | H72 | 61.5° | 62.3° |
| C66 | C69 | C72 | H72A | 177.5° | 177.6° |
| H66 | C66 | C69 | C77 | 62.2° | 57.7° |
| H66 | C66 | C69 | C72 | 61.8° | 62.3° |
| H66 | C66 | C69 | H69 | 179.5° | 177.7° |
| H66A | C66 | C69 | C77 | 58.4° | 62.5° |
| H66A | C66 | C69 | C72 | 177.6° | 177.6° |
| H66A | C66 | C69 | H69 | 59.0° | 57.6° |
| C77 | C69 | C72 | H69 | 117.3° | 120.1° |
| C69 | C77 | H77 | H77A | 120.0° | 120.1° |
| C69 | C77 | H77 | H77B | 120.0° | 119.9° |
| C69 | C77 | H77A | H77B | 120.0° | 119.9° |
| C77 | C69 | C72 | C75 | 178.0° | 177.6° |
| C77 | C69 | C72 | H72 | 62.0° | 57.7° |
| C77 | C69 | C72 | H72A | 59.0° | 62.5° |
| C72 | C69 | C77 | H77 | 148.8° | 179.7° |
| C72 | C69 | C77 | H77A | 91.2° | 60.3° |
| C72 | C69 | C77 | H77B | 28.8° | 59.7° |
| C69 | C72 | C75 | H72 | 120.0° | 120.0° |
| C69 | C72 | C75 | H72A | 119.0° | 120.0° |
| C69 | C72 | H72 | H72A | 119.1° | 120.1° |
| C69 | C72 | C75 | H75 | 67.7° | 60.8° |
| C69 | C72 | C75 | H75A | 172.5° | 179.2° |
| H69 | C69 | C77 | H77 | 92.7° | 60.1° |
| H69 | C69 | C77 | H77A | 27.2° | 59.9° |
| H69 | C69 | C77 | H77B | 147.2° | 179.9° |
| H69 | C69 | C72 | C75 | 60.7° | 62.3° |
| H69 | C69 | C72 | H72 | 179.3° | 177.8° |
| H69 | C69 | C72 | H72A | 58.3° | 57.6° |
| H77 | C77 | H77A | H77B | 120.0° | 120.0° |
| C75 | C72 | H72 | H72A | 119.1° | 120.1° |
| C72 | C75 | H75 | H75A | 120.2° | 119.9° |
| H72 | C72 | C75 | H75 | 172.4° | 179.2° |
| H72 | C72 | C75 | H75A | 52.5° | 59.3° |
| H72A | C72 | C75 | H75 | 51.4° | 59.1° |
| H72A | C72 | C75 | H75A | 68.4° | 60.8° |
