NCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C75 | C72 | sing | 1.53Å | 1.54Å | |
| C75 | N61 | sing | 1.47Å | 1.47Å | |
| C72 | O32 | sing | 1.43Å | 1.46Å | |
| O32 | C66 | sing | 1.43Å | 1.45Å | |
| C66 | C63 | sing | 1.53Å | 1.54Å | |
| C63 | N61 | sing | 1.47Å | 1.47Å | |
| N61 | C58 | sing | 1.47Å | 1.47Å | |
| C58 | C55 | sing | 1.53Å | 1.53Å | |
| C55 | C54 | sing | 1.51Å | 1.53Å | |
| C54 | O84 | doub | 1.21Å | 1.23Å | |
| C54 | N52 | sing | 1.35Å | 1.33Å | |
| N52 | C51 | sing | 1.40Å | 1.34Å | |
| C51 | C85 | doub | 1.37Å | 1.40Å | Aromatic |
| C51 | C49 | sing | 1.40Å | 1.41Å | Aromatic |
| C85 | C87 | sing | 1.41Å | 1.39Å | Aromatic |
| C49 | C47 | doub | 1.36Å | 1.40Å | Aromatic |
| C47 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C2 | C45 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C87 | sing | 1.47Å | 1.41Å | Aromatic |
| C45 | C44 | sing | 1.40Å | 1.40Å | Aromatic |
| C87 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C3 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C44 | sing | 1.47Å | 1.40Å | Aromatic |
| C4 | C6 | sing | 1.37Å | 1.39Å | Aromatic |
| C44 | C42 | doub | 1.41Å | 1.40Å | Aromatic |
| C42 | C40 | sing | 1.36Å | 1.40Å | Aromatic |
| C40 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | N7 | sing | 1.40Å | 1.35Å | |
| N7 | C9 | sing | 1.35Å | 1.34Å | |
| C9 | O39 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | N16 | sing | 1.47Å | 1.47Å | |
| N16 | C36 | sing | 1.47Å | 1.48Å | |
| N16 | C18 | sing | 1.47Å | 1.48Å | |
| C36 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C18 | sing | 1.53Å | 1.54Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C75 | H75A | sing | 1.09Å | 1.10Å | |
| C72 | H72 | sing | 1.09Å | 1.10Å | |
| C72 | H72A | sing | 1.09Å | 1.10Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H66A | sing | 1.09Å | 1.10Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| N52 | HN52 | sing | 0.97Å | 1.00Å | |
| C85 | H85 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C72 | C75 | N61 | 109.4° | 109.3° |
| C75 | C72 | O32 | 106.4° | 109.2° |
| C72 | C75 | H75 | 109.5° | 109.5° |
| C72 | C75 | H75A | 109.5° | 109.5° |
| C75 | C72 | H72 | 110.5° | 109.5° |
| C75 | C72 | H72A | 111.2° | 109.6° |
| C75 | N61 | C63 | 113.5° | 110.7° |
| C75 | N61 | C58 | 116.4° | 111.0° |
| N61 | C75 | H75 | 109.5° | 109.5° |
| N61 | C75 | H75A | 109.6° | 109.5° |
| C72 | O32 | C66 | 115.3° | 113.7° |
| O32 | C72 | H72 | 110.5° | 109.5° |
| O32 | C72 | H72A | 111.1° | 109.5° |
| O32 | C66 | C63 | 106.1° | 109.3° |
| O32 | C66 | H66 | 110.6° | 109.5° |
| O32 | C66 | H66A | 111.3° | 109.5° |
| C66 | C63 | N61 | 110.2° | 109.2° |
| C63 | C66 | H66 | 110.6° | 109.5° |
| C63 | C66 | H66A | 111.4° | 109.5° |
| C66 | C63 | H63 | 109.2° | 109.5° |
| C66 | C63 | H63A | 109.1° | 109.5° |
| C63 | N61 | C58 | 106.9° | 111.0° |
| N61 | C63 | H63 | 109.3° | 109.5° |
| N61 | C63 | H63A | 109.1° | 109.5° |
| N61 | C58 | C55 | 116.5° | 109.5° |
| N61 | C58 | H58 | 107.2° | 109.5° |
| N61 | C58 | H58A | 105.6° | 109.5° |
| C58 | C55 | C54 | 110.4° | 109.5° |
| C55 | C58 | H58 | 107.2° | 109.4° |
| C55 | C58 | H58A | 105.6° | 109.5° |
| C58 | C55 | H55 | 109.2° | 109.4° |
| C58 | C55 | H55A | 108.9° | 109.5° |
| C55 | C54 | O84 | 121.1° | 120.0° |
| C55 | C54 | N52 | 113.7° | 120.0° |
| C54 | C55 | H55 | 109.1° | 109.5° |
| C54 | C55 | H55A | 109.0° | 109.5° |
| O84 | C54 | N52 | 125.2° | 120.0° |
| C54 | N52 | C51 | 133.0° | 120.0° |
| C54 | N52 | HN52 | 113.5° | 120.0° |
| N52 | C51 | C85 | 119.7° | 119.2° |
| N52 | C51 | C49 | 119.9° | 119.2° |
| C51 | N52 | HN52 | 113.5° | 120.0° |
| C85 | C51 | C49 | 120.3° | 121.6° |
| C51 | C85 | C87 | 117.6° | 119.6° |
| C51 | C85 | H85 | 121.2° | 120.2° |
| C51 | C49 | C47 | 122.3° | 121.5° |
| C51 | C49 | H49 | 118.9° | 119.3° |
| C85 | C87 | C2 | 121.8° | 118.5° |
| C85 | C87 | N1 | 116.1° | 120.8° |
| C87 | C85 | H85 | 121.2° | 120.2° |
| C49 | C47 | C2 | 117.0° | 119.7° |
| C47 | C49 | H49 | 118.9° | 119.2° |
| C49 | C47 | H47 | 121.5° | 120.2° |
| C47 | C2 | C45 | 120.8° | 121.2° |
| C47 | C2 | C87 | 121.0° | 119.2° |
| C2 | C47 | H47 | 121.5° | 120.1° |
| C45 | C2 | C87 | 118.1° | 119.6° |
| C2 | C45 | C44 | 119.5° | 117.9° |
| C2 | C45 | H45 | 120.2° | 121.0° |
| C2 | C87 | N1 | 122.1° | 120.7° |
| C45 | C44 | C3 | 119.2° | 119.6° |
| C45 | C44 | C42 | 121.4° | 121.3° |
| C44 | C45 | H45 | 120.2° | 121.1° |
| C87 | N1 | C3 | 120.1° | 121.4° |
| N1 | C3 | C4 | 117.8° | 120.7° |
| N1 | C3 | C44 | 120.9° | 120.8° |
| C4 | C3 | C44 | 121.3° | 118.5° |
| C3 | C4 | C6 | 120.5° | 119.6° |
| C3 | C4 | H4 | 119.7° | 120.2° |
| C3 | C44 | C42 | 119.4° | 119.1° |
| C4 | C6 | C40 | 116.8° | 121.5° |
| C4 | C6 | N7 | 123.4° | 119.2° |
| C6 | C4 | H4 | 119.8° | 120.2° |
| C44 | C42 | C40 | 117.6° | 119.7° |
| C44 | C42 | H42 | 121.2° | 120.1° |
| C42 | C40 | C6 | 124.5° | 121.5° |
| C40 | C42 | H42 | 121.2° | 120.1° |
| C42 | C40 | H40 | 117.8° | 119.3° |
| C40 | C6 | N7 | 119.8° | 119.2° |
| C6 | C40 | H40 | 117.8° | 119.2° |
| C6 | N7 | C9 | 134.0° | 120.0° |
| C6 | N7 | HN7 | 113.0° | 120.0° |
| N7 | C9 | O39 | 122.9° | 120.0° |
| N7 | C9 | C10 | 120.0° | 120.0° |
| C9 | N7 | HN7 | 113.0° | 120.0° |
| O39 | C9 | C10 | 117.1° | 120.0° |
| C9 | C10 | C13 | 114.7° | 109.5° |
| C9 | C10 | H10 | 107.8° | 109.5° |
| C9 | C10 | H10A | 106.5° | 109.4° |
| C10 | C13 | N16 | 110.8° | 109.5° |
| C13 | C10 | H10 | 107.7° | 109.5° |
| C13 | C10 | H10A | 106.6° | 109.5° |
| C10 | C13 | H13 | 109.0° | 109.5° |
| C10 | C13 | H13A | 108.7° | 109.5° |
| C13 | N16 | C36 | 118.5° | 111.0° |
| C13 | N16 | C18 | 108.3° | 111.0° |
| N16 | C13 | H13 | 109.0° | 109.5° |
| N16 | C13 | H13A | 108.7° | 109.5° |
| C36 | N16 | C18 | 111.3° | 110.8° |
| N16 | C36 | C33 | 108.7° | 109.3° |
| N16 | C36 | H36 | 109.7° | 109.6° |
| N16 | C36 | H36A | 109.9° | 109.5° |
| N16 | C18 | C27 | 110.8° | 109.3° |
| N16 | C18 | H18 | 109.0° | 109.5° |
| N16 | C18 | H18A | 108.7° | 109.5° |
| C36 | C33 | O12 | 110.3° | 109.2° |
| C33 | C36 | H36 | 109.7° | 109.5° |
| C33 | C36 | H36A | 109.9° | 109.5° |
| C36 | C33 | H33 | 109.2° | 109.5° |
| C36 | C33 | H33A | 109.0° | 109.5° |
| C33 | O12 | C27 | 116.5° | 113.8° |
| O12 | C33 | H33 | 109.2° | 109.5° |
| O12 | C33 | H33A | 109.0° | 109.5° |
| O12 | C27 | C18 | 113.5° | 109.2° |
| O12 | C27 | H27 | 108.1° | 109.5° |
| O12 | C27 | H27A | 107.2° | 109.6° |
| C18 | C27 | H27 | 108.2° | 109.5° |
| C18 | C27 | H27A | 107.3° | 109.5° |
| C27 | C18 | H18 | 109.0° | 109.5° |
| C27 | C18 | H18A | 108.8° | 109.5° |
| H75 | C75 | H75A | 109.4° | 109.5° |
| H72 | C72 | H72A | 107.1° | 109.5° |
| H66 | C66 | H66A | 106.9° | 109.5° |
| H63 | C63 | H63A | 110.0° | 109.6° |
| H58 | C58 | H58A | 115.1° | 109.5° |
| H55 | C55 | H55A | 110.2° | 109.5° |
| H10 | C10 | H10A | 113.7° | 109.5° |
| H13 | C13 | H13A | 110.5° | 109.4° |
| H36 | C36 | H36A | 108.9° | 109.5° |
| H33 | C33 | H33A | 110.2° | 109.5° |
| H27 | C27 | H27A | 112.7° | 109.6° |
| H18 | C18 | H18A | 110.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C72 | C75 | N61 | H75 | 120.0° | 119.9° |
| C72 | C75 | N61 | H75A | 120.0° | 120.0° |
| C75 | C72 | O32 | H72 | 120.0° | 119.9° |
| C75 | C72 | O32 | H72A | 121.2° | 120.0° |
| C75 | C72 | O32 | C66 | 63.0° | 58.6° |
| C72 | C75 | N61 | C63 | 56.6° | 58.7° |
| C72 | C75 | N61 | C58 | 178.6° | 177.6° |
| C72 | C75 | H75 | H75A | 120.0° | 120.1° |
| C75 | C72 | H72 | H72A | 121.3° | 120.2° |
| N61 | C75 | C72 | O32 | 56.0° | 56.9° |
| C75 | N61 | C63 | C66 | 56.6° | 58.6° |
| C75 | N61 | C63 | C58 | 129.8° | 123.8° |
| C75 | N61 | C58 | C55 | 52.6° | 170.0° |
| N61 | C75 | H75 | H75A | 120.1° | 120.1° |
| N61 | C75 | C72 | H72 | 176.0° | 176.8° |
| N61 | C75 | C72 | H72A | 65.2° | 63.0° |
| C75 | N61 | C63 | H63 | 63.4° | 61.3° |
| C75 | N61 | C63 | H63A | 176.3° | 178.5° |
| C75 | N61 | C58 | H58 | 67.5° | 50.1° |
| C75 | N61 | C58 | H58A | 169.3° | 69.9° |
| C72 | O32 | C66 | C63 | 62.4° | 58.6° |
| O32 | C72 | C75 | H75 | 175.9° | 176.8° |
| O32 | C72 | C75 | H75A | 64.1° | 63.1° |
| O32 | C72 | H72 | H72A | 121.2° | 120.1° |
| C72 | O32 | C66 | H66 | 177.6° | 178.6° |
| C72 | O32 | C66 | H66A | 59.0° | 61.3° |
| O32 | C66 | C63 | H66 | 120.0° | 120.0° |
| O32 | C66 | C63 | H66A | 121.3° | 119.9° |
| O32 | C66 | C63 | N61 | 55.3° | 56.8° |
| C66 | O32 | C72 | H72 | 177.0° | 178.6° |
| C66 | O32 | C72 | H72A | 58.2° | 61.3° |
| O32 | C66 | H66 | H66A | 121.3° | 120.1° |
| O32 | C66 | C63 | H63 | 64.7° | 63.1° |
| O32 | C66 | C63 | H63A | 175.0° | 176.7° |
| C66 | C63 | N61 | H63 | 120.0° | 119.9° |
| C66 | C63 | N61 | H63A | 119.7° | 119.9° |
| C66 | C63 | N61 | C58 | 173.7° | 177.6° |
| C63 | C66 | H66 | H66A | 121.4° | 120.1° |
| C66 | C63 | H63 | H63A | 119.7° | 120.2° |
| C63 | N61 | C58 | C55 | 179.4° | 66.4° |
| C63 | N61 | C75 | H75 | 176.6° | 178.6° |
| C63 | N61 | C75 | H75A | 63.4° | 61.3° |
| N61 | C63 | C66 | H66 | 175.3° | 176.8° |
| N61 | C63 | C66 | H66A | 66.0° | 63.1° |
| N61 | C63 | H63 | H63A | 119.7° | 120.1° |
| C63 | N61 | C58 | H58 | 60.6° | 173.7° |
| C63 | N61 | C58 | H58A | 62.6° | 53.6° |
| N61 | C58 | C55 | H58 | 120.0° | 120.0° |
| N61 | C58 | C55 | H58A | 116.8° | 120.0° |
| N61 | C58 | C55 | C54 | 122.2° | 180.0° |
| C58 | N61 | C75 | H75 | 58.6° | 57.7° |
| C58 | N61 | C75 | H75A | 61.3° | 62.4° |
| C58 | N61 | C63 | H63 | 66.3° | 62.5° |
| C58 | N61 | C63 | H63A | 53.9° | 57.7° |
| N61 | C58 | H58 | H58A | 117.2° | 120.0° |
| N61 | C58 | C55 | H55 | 2.2° | 60.0° |
| N61 | C58 | C55 | H55A | 118.2° | 60.0° |
| C58 | C55 | C54 | H55 | 120.0° | 120.0° |
| C58 | C55 | C54 | H55A | 119.6° | 120.1° |
| C58 | C55 | C54 | O84 | 7.7° | 0.0° |
| C58 | C55 | C54 | N52 | 174.5° | 180.0° |
| C55 | C58 | H58 | H58A | 117.1° | 120.0° |
| C58 | C55 | H55 | H55A | 119.6° | 120.0° |
| C55 | C54 | O84 | N52 | 177.5° | 180.0° |
| C55 | C54 | N52 | C51 | 175.9° | 174.9° |
| C54 | C55 | C58 | H58 | 117.7° | 60.0° |
| C54 | C55 | C58 | H58A | 5.4° | 60.0° |
| C54 | C55 | H55 | H55A | 119.6° | 120.0° |
| C55 | C54 | N52 | HN52 | 4.1° | 5.2° |
| O84 | C54 | N52 | C51 | 6.4° | 5.1° |
| O84 | C54 | C55 | H55 | 127.7° | 120.0° |
| O84 | C54 | C55 | H55A | 111.9° | 120.0° |
| O84 | C54 | N52 | HN52 | 173.6° | 174.8° |
| C54 | N52 | C51 | HN52 | 180.0° | 179.9° |
| C54 | N52 | C51 | C85 | 6.4° | 146.2° |
| C54 | N52 | C51 | C49 | 177.6° | 34.0° |
| N52 | C54 | C55 | H55 | 54.5° | 60.0° |
| N52 | C54 | C55 | H55A | 65.9° | 60.0° |
| N52 | C51 | C85 | C49 | 176.0° | 179.8° |
| N52 | C51 | C85 | C87 | 177.6° | 180.0° |
| N52 | C51 | C49 | C47 | 178.2° | 180.0° |
| N52 | C51 | C85 | H85 | 2.5° | 0.0° |
| N52 | C51 | C49 | H49 | 1.8° | 0.0° |
| C51 | C85 | C87 | H85 | 180.0° | 180.0° |
| C85 | C51 | C49 | C47 | 2.2° | 0.2° |
| C51 | C85 | C87 | C2 | 0.6° | 0.0° |
| C51 | C85 | C87 | N1 | 179.1° | 180.0° |
| C85 | C51 | N52 | HN52 | 173.6° | 33.7° |
| C85 | C51 | C49 | H49 | 177.8° | 179.8° |
| C49 | C51 | C85 | C87 | 1.5° | 0.2° |
| C51 | C49 | C47 | H49 | 180.0° | 179.9° |
| C51 | C49 | C47 | C2 | 1.7° | 0.1° |
| C49 | C51 | N52 | HN52 | 2.4° | 146.1° |
| C49 | C51 | C85 | H85 | 178.5° | 179.8° |
| C51 | C49 | C47 | H47 | 178.3° | 179.9° |
| C85 | C87 | C2 | C47 | 0.3° | 0.2° |
| C85 | C87 | C2 | C45 | 179.6° | 180.0° |
| C85 | C87 | C2 | N1 | 179.7° | 180.0° |
| C85 | C87 | N1 | C3 | 179.3° | 179.9° |
| C49 | C47 | C2 | H47 | 180.0° | 180.0° |
| C49 | C47 | C2 | C45 | 179.1° | 179.9° |
| C49 | C47 | C2 | C87 | 0.8° | 0.3° |
| C47 | C2 | C45 | C87 | 179.9° | 179.8° |
| C47 | C2 | C45 | C44 | 179.9° | 180.0° |
| C47 | C2 | C87 | N1 | 179.5° | 179.8° |
| C2 | C47 | C49 | H49 | 178.3° | 180.0° |
| C47 | C2 | C45 | H45 | 0.1° | 0.1° |
| C2 | C45 | C44 | H45 | 180.0° | 180.0° |
| C45 | C2 | C87 | N1 | 0.7° | 0.0° |
| C2 | C45 | C44 | C3 | 0.1° | 0.4° |
| C2 | C45 | C44 | C42 | 179.8° | 180.0° |
| C45 | C2 | C47 | H47 | 0.9° | 0.1° |
| C87 | C2 | C45 | C44 | 0.2° | 0.2° |
| C2 | C87 | N1 | C3 | 0.9° | 0.1° |
| C2 | C87 | C85 | H85 | 179.4° | 180.0° |
| C87 | C2 | C47 | H47 | 179.2° | 179.7° |
| C87 | C2 | C45 | H45 | 179.8° | 179.7° |
| C45 | C44 | C3 | N1 | 0.3° | 0.4° |
| C45 | C44 | C3 | C4 | 179.7° | 179.7° |
| C45 | C44 | C3 | C42 | 179.9° | 179.6° |
| C45 | C44 | C42 | C40 | 179.9° | 180.0° |
| C45 | C44 | C42 | H42 | 0.1° | 0.1° |
| C87 | N1 | C3 | C4 | 179.3° | 180.0° |
| C87 | N1 | C3 | C44 | 0.7° | 0.1° |
| N1 | C87 | C85 | H85 | 0.9° | 0.0° |
| N1 | C3 | C4 | C44 | 180.0° | 179.9° |
| N1 | C3 | C4 | C6 | 179.3° | 180.0° |
| N1 | C3 | C44 | C42 | 179.6° | 180.0° |
| N1 | C3 | C4 | H4 | 0.7° | 0.1° |
| C3 | C4 | C6 | H4 | 180.0° | 179.9° |
| C4 | C3 | C44 | C42 | 0.4° | 0.1° |
| C3 | C4 | C6 | C40 | 0.5° | 0.4° |
| C3 | C4 | C6 | N7 | 178.6° | 179.9° |
| C44 | C3 | C4 | C6 | 0.7° | 0.1° |
| C3 | C44 | C42 | C40 | 0.1° | 0.4° |
| C3 | C44 | C45 | H45 | 180.0° | 179.6° |
| C44 | C3 | C4 | H4 | 179.3° | 179.8° |
| C3 | C44 | C42 | H42 | 179.9° | 179.5° |
| C4 | C6 | C40 | C42 | 0.2° | 0.7° |
| C4 | C6 | C40 | N7 | 178.1° | 179.6° |
| C4 | C6 | N7 | C9 | 1.4° | 146.2° |
| C4 | C6 | C40 | H40 | 179.8° | 180.0° |
| C4 | C6 | N7 | HN7 | 178.6° | 33.7° |
| C44 | C42 | C40 | H42 | 180.0° | 179.9° |
| C44 | C42 | C40 | C6 | 0.0° | 0.7° |
| C42 | C44 | C45 | H45 | 0.2° | 0.0° |
| C44 | C42 | C40 | H40 | 180.0° | 180.0° |
| C42 | C40 | C6 | H40 | 180.0° | 179.3° |
| C42 | C40 | C6 | N7 | 178.3° | 179.7° |
| C40 | C6 | N7 | C9 | 179.4° | 34.2° |
| C40 | C6 | C4 | H4 | 179.5° | 179.6° |
| C6 | C40 | C42 | H42 | 180.0° | 179.2° |
| C40 | C6 | N7 | HN7 | 0.6° | 145.8° |
| C6 | N7 | C9 | HN7 | 180.0° | 179.9° |
| C6 | N7 | C9 | O39 | 3.3° | 5.0° |
| C6 | N7 | C9 | C10 | 178.5° | 174.9° |
| N7 | C6 | C4 | H4 | 1.4° | 0.0° |
| N7 | C6 | C40 | H40 | 1.7° | 0.5° |
| N7 | C9 | O39 | C10 | 178.3° | 179.9° |
| N7 | C9 | C10 | C13 | 177.8° | 180.0° |
| N7 | C9 | C10 | H10 | 62.2° | 60.0° |
| N7 | C9 | C10 | H10A | 60.1° | 60.1° |
| O39 | C9 | C10 | C13 | 0.6° | 0.0° |
| O39 | C9 | N7 | HN7 | 176.7° | 174.9° |
| O39 | C9 | C10 | H10 | 119.4° | 120.0° |
| O39 | C9 | C10 | H10A | 118.3° | 120.0° |
| C9 | C10 | C13 | H10 | 120.0° | 120.0° |
| C9 | C10 | C13 | H10A | 117.6° | 119.9° |
| C9 | C10 | C13 | N16 | 180.0° | 180.0° |
| C10 | C9 | N7 | HN7 | 1.5° | 5.2° |
| C9 | C10 | H10 | H10A | 117.8° | 120.0° |
| C9 | C10 | C13 | H13 | 60.0° | 60.0° |
| C9 | C10 | C13 | H13A | 60.5° | 60.0° |
| C10 | C13 | N16 | H13 | 120.0° | 120.0° |
| C10 | C13 | N16 | H13A | 119.4° | 120.0° |
| C10 | C13 | N16 | C36 | 64.8° | 170.0° |
| C10 | C13 | N16 | C18 | 167.3° | 66.3° |
| C13 | C10 | H10 | H10A | 117.9° | 120.0° |
| C10 | C13 | H13 | H13A | 119.4° | 120.0° |
| C13 | N16 | C36 | C18 | 126.5° | 123.8° |
| C13 | N16 | C36 | C33 | 172.9° | 177.6° |
| C13 | N16 | C18 | C27 | 173.2° | 177.6° |
| N16 | C13 | C10 | H10 | 59.9° | 60.0° |
| N16 | C13 | C10 | H10A | 62.4° | 60.1° |
| N16 | C13 | H13 | H13A | 119.4° | 120.0° |
| C13 | N16 | C36 | H36 | 52.9° | 57.6° |
| C13 | N16 | C36 | H36A | 66.8° | 62.5° |
| C13 | N16 | C18 | H18 | 66.8° | 62.5° |
| C13 | N16 | C18 | H18A | 53.7° | 57.7° |
| N16 | C36 | C33 | H36 | 120.0° | 120.0° |
| N16 | C36 | C33 | H36A | 120.3° | 119.9° |
| N16 | C36 | C33 | O12 | 57.7° | 56.8° |
| C36 | N16 | C18 | C27 | 54.8° | 58.6° |
| C36 | N16 | C13 | H13 | 55.2° | 50.0° |
| C36 | N16 | C13 | H13A | 175.8° | 70.0° |
| N16 | C36 | H36 | H36A | 120.3° | 120.1° |
| N16 | C36 | C33 | H33 | 62.3° | 63.1° |
| N16 | C36 | C33 | H33A | 177.3° | 176.7° |
| C36 | N16 | C18 | H18 | 65.1° | 61.3° |
| C36 | N16 | C18 | H18A | 174.3° | 178.5° |
| C18 | N16 | C36 | C33 | 60.6° | 58.6° |
| N16 | C18 | C27 | O12 | 46.4° | 56.8° |
| N16 | C18 | C27 | H18 | 120.0° | 120.0° |
| N16 | C18 | C27 | H18A | 119.4° | 120.0° |
| C18 | N16 | C13 | H13 | 72.7° | 173.7° |
| C18 | N16 | C13 | H13A | 47.9° | 53.7° |
| C18 | N16 | C36 | H36 | 179.4° | 178.6° |
| C18 | N16 | C36 | H36A | 59.7° | 61.3° |
| N16 | C18 | C27 | H27 | 73.5° | 63.0° |
| N16 | C18 | C27 | H27A | 164.7° | 176.8° |
| N16 | C18 | H18 | H18A | 119.4° | 120.2° |
| C36 | C33 | O12 | H33 | 120.0° | 120.0° |
| C36 | C33 | O12 | H33A | 119.6° | 119.9° |
| C36 | C33 | O12 | C27 | 52.2° | 58.7° |
| C33 | C36 | H36 | H36A | 120.3° | 120.1° |
| C36 | C33 | H33 | H33A | 119.7° | 120.1° |
| C33 | O12 | C27 | C18 | 46.9° | 58.7° |
| O12 | C33 | C36 | H36 | 177.7° | 176.8° |
| O12 | C33 | C36 | H36A | 62.7° | 63.1° |
| O12 | C33 | H33 | H33A | 119.7° | 120.1° |
| C33 | O12 | C27 | H27 | 73.1° | 61.2° |
| C33 | O12 | C27 | H27A | 165.2° | 178.6° |
| O12 | C27 | C18 | H27 | 120.0° | 119.9° |
| O12 | C27 | C18 | H27A | 118.2° | 120.0° |
| C27 | O12 | C33 | H33 | 67.7° | 61.2° |
| C27 | O12 | C33 | H33A | 171.9° | 178.6° |
| O12 | C27 | H27 | H27A | 118.3° | 120.2° |
| O12 | C27 | C18 | H18 | 73.5° | 63.1° |
| O12 | C27 | C18 | H18A | 165.9° | 176.8° |
| C18 | C27 | H27 | H27A | 118.4° | 120.2° |
| C27 | C18 | H18 | H18A | 119.5° | 120.0° |
| H75 | C75 | C72 | H72 | 64.1° | 63.3° |
| H75 | C75 | C72 | H72A | 54.8° | 56.9° |
| H75A | C75 | C72 | H72 | 55.9° | 56.8° |
| H75A | C75 | C72 | H72A | 174.7° | 177.0° |
| H66 | C66 | C63 | H63 | 55.3° | 56.9° |
| H66 | C66 | C63 | H63A | 65.0° | 63.3° |
| H66A | C66 | C63 | H63 | 174.0° | 177.0° |
| H66A | C66 | C63 | H63A | 53.7° | 56.8° |
| H58 | C58 | C55 | H55 | 122.3° | 180.0° |
| H58 | C58 | C55 | H55A | 1.9° | 60.0° |
| H58A | C58 | C55 | H55 | 114.5° | 60.0° |
| H58A | C58 | C55 | H55A | 125.0° | 180.0° |
| H49 | C49 | C47 | H47 | 1.7° | 0.0° |
| H42 | C42 | C40 | H40 | 0.0° | 0.0° |
| H10 | C10 | C13 | H13 | 179.9° | 180.0° |
| H10 | C10 | C13 | H13A | 59.5° | 60.0° |
| H10A | C10 | C13 | H13 | 57.6° | 60.0° |
| H10A | C10 | C13 | H13A | 178.2° | 179.9° |
| H36 | C36 | C33 | H33 | 57.7° | 56.9° |
| H36 | C36 | C33 | H33A | 62.7° | 63.2° |
| H36A | C36 | C33 | H33 | 177.4° | 177.0° |
| H36A | C36 | C33 | H33A | 57.0° | 56.8° |
| H27 | C27 | C18 | H18 | 166.5° | 177.0° |
| H27 | C27 | C18 | H18A | 45.9° | 56.9° |
| H27A | C27 | C18 | H18 | 44.7° | 56.8° |
| H27A | C27 | C18 | H18A | 75.9° | 63.3° |
