NCQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | C9 | doub | 1.21Å | 1.22Å | |
| N7 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | N16 | sing | 1.47Å | 1.46Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N16 | C36 | sing | 1.40Å | 1.48Å | |
| N16 | C11 | sing | 1.48Å | 1.47Å | |
| C36 | C33 | sing | 1.54Å | 1.54Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C33 | C30 | sing | 1.51Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C30 | C27 | sing | 1.54Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C73 | C27 | sing | 1.54Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C11 | C73 | sing | 1.51Å | 1.53Å | |
| C73 | H73 | sing | 1.09Å | 1.10Å | |
| C73 | H73A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C6 | N7 | sing | 1.40Å | 1.42Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C40 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| C42 | C40 | sing | 1.36Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C44 | C42 | doub | 1.41Å | 1.40Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C44 | C3 | sing | 1.47Å | 1.41Å | Aromatic |
| N1 | C3 | sing | 1.33Å | 1.36Å | Aromatic |
| C87 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C45 | C44 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C45 | doub | 1.40Å | 1.40Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C47 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C2 | C87 | sing | 1.47Å | 1.41Å | Aromatic |
| C85 | C87 | sing | 1.41Å | 1.39Å | Aromatic |
| C49 | C47 | doub | 1.36Å | 1.41Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C49 | C51 | sing | 1.40Å | 1.41Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| N52 | C51 | sing | 1.40Å | 1.42Å | |
| C51 | C85 | doub | 1.37Å | 1.40Å | Aromatic |
| C85 | H85 | sing | 1.08Å | 1.08Å | |
| N52 | C54 | sing | 1.35Å | 1.34Å | |
| N52 | HN52 | sing | 0.97Å | 1.00Å | |
| C55 | C54 | sing | 1.51Å | 1.52Å | |
| C54 | O84 | doub | 1.21Å | 1.21Å | |
| C55 | C58 | sing | 1.53Å | 1.53Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| N61 | C58 | sing | 1.47Å | 1.47Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C75 | N61 | sing | 1.48Å | 1.47Å | |
| N61 | C31 | sing | 1.40Å | 1.47Å | |
| C72 | C75 | sing | 1.51Å | 1.53Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C75 | H75A | sing | 1.09Å | 1.10Å | |
| C72 | C69 | sing | 1.54Å | 1.53Å | |
| C72 | H72 | sing | 1.09Å | 1.10Å | |
| C72 | H72A | sing | 1.09Å | 1.10Å | |
| C69 | C66 | sing | 1.54Å | 1.54Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C69 | H69A | sing | 1.09Å | 1.10Å | |
| C66 | C29 | sing | 1.51Å | 1.54Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H66A | sing | 1.09Å | 1.10Å | |
| C31 | C29 | sing | 1.54Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C9 | N7 | 123.7° | 120.0° |
| O39 | C9 | C10 | 121.0° | 120.0° |
| N7 | C9 | C10 | 115.2° | 120.0° |
| C9 | N7 | C6 | 126.7° | 120.0° |
| C9 | N7 | HN7 | 116.7° | 120.0° |
| C9 | C10 | C13 | 111.1° | 109.5° |
| C9 | C10 | H10 | 108.9° | 109.5° |
| C9 | C10 | H10A | 108.6° | 109.4° |
| C13 | C10 | H10 | 108.9° | 109.5° |
| C13 | C10 | H10A | 108.5° | 109.5° |
| C10 | C13 | N16 | 108.8° | 109.5° |
| C10 | C13 | H13 | 109.7° | 109.5° |
| C10 | C13 | H13A | 109.8° | 109.4° |
| H10 | C10 | H10A | 110.8° | 109.4° |
| N16 | C13 | H13 | 109.7° | 109.5° |
| N16 | C13 | H13A | 109.9° | 109.4° |
| C13 | N16 | C36 | 118.0° | 111.0° |
| C13 | N16 | C11 | 115.9° | 111.0° |
| H13 | C13 | H13A | 108.9° | 109.5° |
| C36 | N16 | C11 | 122.6° | 114.7° |
| N16 | C36 | C33 | 109.0° | 111.8° |
| N16 | C36 | H36 | 109.6° | 109.0° |
| N16 | C36 | H36A | 109.7° | 109.0° |
| N16 | C11 | C73 | 111.4° | 108.1° |
| N16 | C11 | H11 | 108.8° | 109.7° |
| N16 | C11 | H11A | 108.4° | 109.7° |
| C33 | C36 | H36 | 109.6° | 109.0° |
| C33 | C36 | H36A | 109.7° | 109.0° |
| C36 | C33 | C30 | 112.0° | 109.0° |
| C36 | C33 | H33 | 108.6° | 109.6° |
| C36 | C33 | H33A | 108.1° | 109.5° |
| H36 | C36 | H36A | 109.1° | 108.9° |
| C30 | C33 | H33 | 108.6° | 109.6° |
| C30 | C33 | H33A | 108.0° | 109.5° |
| C33 | C30 | C27 | 111.6° | 112.6° |
| C33 | C30 | H30 | 108.8° | 108.8° |
| C33 | C30 | H30A | 108.3° | 108.9° |
| H33 | C33 | H33A | 111.5° | 109.6° |
| C27 | C30 | H30 | 108.7° | 108.9° |
| C27 | C30 | H30A | 108.3° | 108.9° |
| C30 | C27 | C73 | 112.6° | 112.0° |
| C30 | C27 | H27 | 108.4° | 109.0° |
| C30 | C27 | H27A | 107.7° | 109.0° |
| H30 | C30 | H30A | 111.2° | 108.7° |
| C73 | C27 | H27 | 108.4° | 109.0° |
| C73 | C27 | H27A | 107.7° | 108.9° |
| C27 | C73 | C11 | 112.4° | 111.6° |
| C27 | C73 | H73 | 108.5° | 109.0° |
| C27 | C73 | H73A | 107.9° | 109.0° |
| H27 | C27 | H27A | 112.0° | 109.0° |
| C11 | C73 | H73 | 108.5° | 109.1° |
| C11 | C73 | H73A | 107.9° | 109.0° |
| C73 | C11 | H11 | 108.8° | 109.8° |
| C73 | C11 | H11A | 108.4° | 109.8° |
| H73 | C73 | H73A | 111.8° | 109.1° |
| H11 | C11 | H11A | 111.0° | 109.8° |
| C6 | N7 | HN7 | 116.7° | 120.0° |
| N7 | C6 | C40 | 117.6° | 119.2° |
| N7 | C6 | C4 | 123.2° | 119.2° |
| C40 | C6 | C4 | 119.1° | 121.6° |
| C6 | C40 | C42 | 122.0° | 121.4° |
| C6 | C40 | H40 | 119.0° | 119.3° |
| C6 | C4 | C3 | 119.8° | 119.5° |
| C6 | C4 | H4 | 120.1° | 120.3° |
| C42 | C40 | H40 | 119.0° | 119.3° |
| C40 | C42 | C44 | 119.2° | 119.7° |
| C40 | C42 | H42 | 120.4° | 120.1° |
| C44 | C42 | H42 | 120.4° | 120.2° |
| C42 | C44 | C3 | 119.2° | 119.2° |
| C42 | C44 | C45 | 120.4° | 121.2° |
| C3 | C4 | H4 | 120.1° | 120.2° |
| C4 | C3 | C44 | 120.7° | 118.5° |
| C4 | C3 | N1 | 119.7° | 120.7° |
| C44 | C3 | N1 | 119.6° | 120.7° |
| C3 | C44 | C45 | 120.3° | 119.6° |
| C3 | N1 | C87 | 121.3° | 121.4° |
| N1 | C87 | C2 | 121.0° | 120.7° |
| N1 | C87 | C85 | 118.5° | 120.8° |
| C44 | C45 | C2 | 118.6° | 117.9° |
| C44 | C45 | H45 | 120.7° | 121.0° |
| C2 | C45 | H45 | 120.7° | 121.1° |
| C45 | C2 | C47 | 121.3° | 121.2° |
| C45 | C2 | C87 | 119.1° | 119.6° |
| C47 | C2 | C87 | 119.6° | 119.2° |
| C2 | C47 | C49 | 119.5° | 119.7° |
| C2 | C47 | H47 | 120.3° | 120.2° |
| C2 | C87 | C85 | 120.5° | 118.5° |
| C87 | C85 | C51 | 120.7° | 119.6° |
| C87 | C85 | H85 | 119.7° | 120.2° |
| C49 | C47 | H47 | 120.2° | 120.1° |
| C47 | C49 | C51 | 120.8° | 121.5° |
| C47 | C49 | H49 | 119.6° | 119.3° |
| C51 | C49 | H49 | 119.6° | 119.2° |
| C49 | C51 | N52 | 120.1° | 119.2° |
| C49 | C51 | C85 | 118.8° | 121.6° |
| N52 | C51 | C85 | 120.9° | 119.2° |
| C51 | N52 | C54 | 129.1° | 120.0° |
| C51 | N52 | HN52 | 115.4° | 119.9° |
| C51 | C85 | H85 | 119.6° | 120.2° |
| C54 | N52 | HN52 | 115.5° | 120.0° |
| N52 | C54 | C55 | 117.8° | 120.0° |
| N52 | C54 | O84 | 123.4° | 120.0° |
| C55 | C54 | O84 | 118.7° | 120.0° |
| C54 | C55 | C58 | 109.8° | 109.5° |
| C54 | C55 | H55 | 109.4° | 109.5° |
| C54 | C55 | H55A | 109.3° | 109.5° |
| C58 | C55 | H55 | 109.3° | 109.5° |
| C58 | C55 | H55A | 109.3° | 109.4° |
| C55 | C58 | N61 | 115.6° | 109.5° |
| C55 | C58 | H58 | 107.5° | 109.5° |
| C55 | C58 | H58A | 106.1° | 109.5° |
| H55 | C55 | H55A | 109.8° | 109.5° |
| N61 | C58 | H58 | 107.5° | 109.5° |
| N61 | C58 | H58A | 106.1° | 109.5° |
| C58 | N61 | C75 | 120.1° | 111.0° |
| C58 | N61 | C31 | 115.2° | 111.0° |
| H58 | C58 | H58A | 114.4° | 109.4° |
| C75 | N61 | C31 | 116.6° | 114.8° |
| N61 | C75 | C72 | 107.5° | 108.1° |
| N61 | C75 | H75 | 110.1° | 109.7° |
| N61 | C75 | H75A | 110.6° | 109.7° |
| N61 | C31 | C29 | 107.6° | 111.7° |
| N61 | C31 | H31 | 110.1° | 109.0° |
| N61 | C31 | H31A | 110.5° | 109.0° |
| C72 | C75 | H75 | 110.1° | 109.7° |
| C72 | C75 | H75A | 110.5° | 109.8° |
| C75 | C72 | C69 | 113.5° | 111.6° |
| C75 | C72 | H72 | 108.2° | 109.0° |
| C75 | C72 | H72A | 107.3° | 109.0° |
| H75 | C75 | H75A | 108.0° | 109.7° |
| C69 | C72 | H72 | 108.1° | 109.1° |
| C69 | C72 | H72A | 107.2° | 109.0° |
| C72 | C69 | C66 | 115.6° | 112.0° |
| C72 | C69 | H69 | 107.5° | 109.0° |
| C72 | C69 | H69A | 106.1° | 109.0° |
| H72 | C72 | H72A | 112.7° | 109.0° |
| C66 | C69 | H69 | 107.5° | 109.0° |
| C66 | C69 | H69A | 106.1° | 109.0° |
| C69 | C66 | C29 | 118.1° | 112.5° |
| C69 | C66 | H66 | 106.7° | 108.9° |
| C69 | C66 | H66A | 104.7° | 108.9° |
| H69 | C69 | H69A | 114.4° | 108.9° |
| C29 | C66 | H66 | 106.7° | 108.9° |
| C29 | C66 | H66A | 104.7° | 108.9° |
| C66 | C29 | C31 | 115.1° | 109.1° |
| C66 | C29 | H29 | 107.6° | 109.5° |
| C66 | C29 | H29A | 106.4° | 109.6° |
| H66 | C66 | H66A | 116.5° | 108.8° |
| C31 | C29 | H29 | 107.7° | 109.5° |
| C31 | C29 | H29A | 106.4° | 109.6° |
| C29 | C31 | H31 | 110.1° | 109.1° |
| C29 | C31 | H31A | 110.5° | 109.0° |
| H29 | C29 | H29A | 114.0° | 109.5° |
| H31 | C31 | H31A | 108.0° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C9 | N7 | C10 | 177.7° | 179.8° |
| O39 | C9 | C10 | C13 | 0.9° | 0.0° |
| O39 | C9 | C10 | H10 | 121.0° | 120.1° |
| O39 | C9 | C10 | H10A | 118.4° | 120.0° |
| O39 | C9 | N7 | C6 | 4.7° | 5.2° |
| O39 | C9 | N7 | HN7 | 175.3° | 174.9° |
| N7 | C9 | C10 | C13 | 178.7° | 179.8° |
| N7 | C9 | C10 | H10 | 61.3° | 59.7° |
| N7 | C9 | C10 | H10A | 59.4° | 60.2° |
| C9 | N7 | C6 | HN7 | 180.0° | 180.0° |
| C9 | N7 | C6 | C40 | 178.2° | 145.8° |
| C9 | N7 | C6 | C4 | 1.0° | 34.4° |
| C9 | C10 | C13 | H10 | 120.0° | 120.0° |
| C9 | C10 | C13 | H10A | 119.3° | 120.0° |
| C9 | C10 | H10 | H10A | 119.3° | 119.9° |
| C9 | C10 | C13 | N16 | 175.2° | 175.6° |
| C9 | C10 | C13 | H13 | 55.2° | 55.5° |
| C9 | C10 | C13 | H13A | 64.5° | 64.5° |
| C10 | C9 | N7 | C6 | 177.6° | 174.6° |
| C10 | C9 | N7 | HN7 | 2.4° | 5.4° |
| C13 | C10 | H10 | H10A | 119.3° | 120.0° |
| C10 | C13 | N16 | H13 | 120.0° | 120.0° |
| C10 | C13 | N16 | H13A | 120.3° | 120.0° |
| C10 | C13 | H13 | H13A | 120.2° | 120.0° |
| C10 | C13 | N16 | C36 | 55.6° | 75.9° |
| C10 | C13 | N16 | C11 | 144.8° | 155.2° |
| H10 | C10 | C13 | N16 | 64.8° | 64.4° |
| H10 | C10 | C13 | H13 | 175.2° | 175.6° |
| H10 | C10 | C13 | H13A | 55.5° | 55.6° |
| H10A | C10 | C13 | N16 | 55.9° | 55.6° |
| H10A | C10 | C13 | H13 | 64.1° | 64.5° |
| H10A | C10 | C13 | H13A | 176.2° | 175.6° |
| N16 | C13 | H13 | H13A | 120.3° | 120.0° |
| C13 | N16 | C36 | C11 | 158.1° | 126.9° |
| C13 | N16 | C36 | C33 | 151.0° | 170.9° |
| C13 | N16 | C36 | H36 | 31.0° | 50.3° |
| C13 | N16 | C36 | H36A | 88.9° | 68.5° |
| C13 | N16 | C11 | C73 | 133.7° | 150.4° |
| C13 | N16 | C11 | H11 | 13.7° | 90.0° |
| C13 | N16 | C11 | H11A | 107.1° | 30.7° |
| H13 | C13 | N16 | C36 | 64.4° | 44.1° |
| H13 | C13 | N16 | C11 | 95.2° | 84.7° |
| H13A | C13 | N16 | C36 | 175.9° | 164.1° |
| H13A | C13 | N16 | C11 | 24.6° | 35.3° |
| N16 | C36 | C33 | H36 | 120.0° | 120.6° |
| N16 | C36 | C33 | H36A | 120.2° | 120.6° |
| N16 | C36 | H36 | H36A | 120.2° | 118.8° |
| N16 | C36 | C33 | C30 | 92.1° | 77.4° |
| N16 | C36 | C33 | H33 | 27.9° | 42.4° |
| N16 | C36 | C33 | H33A | 149.0° | 162.7° |
| C36 | N16 | C11 | C73 | 24.8° | 82.8° |
| C36 | N16 | C11 | H11 | 144.8° | 36.9° |
| C36 | N16 | C11 | H11A | 94.4° | 157.6° |
| C11 | N16 | C36 | C33 | 51.0° | 62.3° |
| C11 | N16 | C36 | H36 | 170.9° | 177.2° |
| C11 | N16 | C36 | H36A | 69.2° | 58.3° |
| N16 | C11 | C73 | C27 | 84.6° | 95.1° |
| N16 | C11 | C73 | H11 | 120.0° | 119.6° |
| N16 | C11 | C73 | H11A | 119.2° | 119.6° |
| N16 | C11 | C73 | H73 | 155.4° | 25.5° |
| N16 | C11 | C73 | H73A | 34.1° | 144.4° |
| N16 | C11 | H11 | H11A | 119.2° | 120.6° |
| C33 | C36 | H36 | H36A | 120.2° | 118.9° |
| C36 | C33 | C30 | H33 | 120.0° | 119.9° |
| C36 | C33 | C30 | H33A | 118.9° | 119.9° |
| C36 | C33 | H33 | H33A | 119.0° | 120.2° |
| C36 | C33 | C30 | C27 | 74.4° | 93.0° |
| C36 | C33 | C30 | H30 | 165.6° | 146.2° |
| C36 | C33 | C30 | H30A | 44.7° | 27.8° |
| H36 | C36 | C33 | C30 | 147.9° | 162.0° |
| H36 | C36 | C33 | H33 | 92.1° | 78.1° |
| H36 | C36 | C33 | H33A | 29.0° | 42.1° |
| H36A | C36 | C33 | C30 | 28.1° | 43.1° |
| H36A | C36 | C33 | H33 | 148.1° | 163.0° |
| H36A | C36 | C33 | H33A | 90.8° | 76.7° |
| C30 | C33 | H33 | H33A | 119.0° | 120.2° |
| C33 | C30 | C27 | H30 | 120.0° | 120.8° |
| C33 | C30 | C27 | H30A | 119.1° | 120.8° |
| C33 | C30 | H30 | H30A | 119.1° | 118.5° |
| C33 | C30 | C27 | C73 | 59.4° | 41.5° |
| C33 | C30 | C27 | H27 | 60.6° | 79.1° |
| C33 | C30 | C27 | H27A | 178.0° | 162.1° |
| H33 | C33 | C30 | C27 | 45.6° | 26.9° |
| H33 | C33 | C30 | H30 | 74.4° | 93.9° |
| H33 | C33 | C30 | H30A | 164.7° | 147.7° |
| H33A | C33 | C30 | C27 | 166.7° | 147.1° |
| H33A | C33 | C30 | H30 | 46.7° | 26.3° |
| H33A | C33 | C30 | H30A | 74.2° | 92.1° |
| C27 | C30 | H30 | H30A | 119.1° | 118.5° |
| C30 | C27 | C73 | H27 | 120.0° | 120.6° |
| C30 | C27 | C73 | H27A | 118.6° | 120.6° |
| C30 | C27 | H27 | H27A | 118.7° | 118.8° |
| C30 | C27 | C73 | C11 | 81.2° | 40.9° |
| C30 | C27 | C73 | H73 | 158.8° | 79.6° |
| C30 | C27 | C73 | H73A | 37.5° | 161.4° |
| H30 | C30 | C27 | C73 | 179.4° | 162.3° |
| H30 | C30 | C27 | H27 | 59.4° | 41.6° |
| H30 | C30 | C27 | H27A | 62.0° | 77.2° |
| H30A | C30 | C27 | C73 | 59.7° | 79.3° |
| H30A | C30 | C27 | H27 | 179.7° | 160.0° |
| H30A | C30 | C27 | H27A | 58.9° | 41.2° |
| C73 | C27 | H27 | H27A | 118.7° | 118.8° |
| C27 | C73 | C11 | H73 | 120.0° | 120.5° |
| C27 | C73 | C11 | H73A | 118.8° | 120.5° |
| C27 | C73 | H73 | H73A | 118.8° | 119.0° |
| C27 | C73 | C11 | H11 | 155.4° | 24.6° |
| C27 | C73 | C11 | H11A | 34.5° | 145.3° |
| H27 | C27 | C73 | C11 | 38.8° | 161.6° |
| H27 | C27 | C73 | H73 | 81.2° | 41.0° |
| H27 | C27 | C73 | H73A | 157.5° | 78.0° |
| H27A | C27 | C73 | C11 | 160.1° | 79.6° |
| H27A | C27 | C73 | H73 | 40.2° | 159.8° |
| H27A | C27 | C73 | H73A | 81.1° | 40.8° |
| C11 | C73 | H73 | H73A | 118.8° | 118.9° |
| C73 | C11 | H11 | H11A | 119.2° | 120.7° |
| H73 | C73 | C11 | H11 | 35.4° | 145.1° |
| H73 | C73 | C11 | H11A | 85.5° | 94.2° |
| H73A | C73 | C11 | H11 | 85.9° | 95.9° |
| H73A | C73 | C11 | H11A | 153.3° | 24.8° |
| N7 | C6 | C40 | C4 | 177.3° | 179.8° |
| N7 | C6 | C40 | C42 | 178.5° | 180.0° |
| N7 | C6 | C40 | H40 | 1.5° | 0.1° |
| N7 | C6 | C4 | C3 | 178.1° | 180.0° |
| N7 | C6 | C4 | H4 | 1.9° | 0.1° |
| HN7 | N7 | C6 | C40 | 1.8° | 34.3° |
| HN7 | N7 | C6 | C4 | 179.0° | 145.5° |
| C6 | C40 | C42 | H40 | 180.0° | 180.0° |
| C6 | C40 | C42 | C44 | 1.1° | 0.0° |
| C6 | C40 | C42 | H42 | 178.9° | 180.0° |
| C40 | C6 | C4 | C3 | 0.9° | 0.2° |
| C40 | C6 | C4 | H4 | 179.1° | 179.7° |
| C4 | C6 | C40 | C42 | 1.2° | 0.2° |
| C4 | C6 | C40 | H40 | 178.8° | 179.7° |
| C6 | C4 | C3 | H4 | 180.0° | 179.9° |
| C6 | C4 | C3 | C44 | 0.5° | 0.1° |
| C6 | C4 | C3 | N1 | 180.0° | 179.9° |
| C40 | C42 | C44 | H42 | 180.0° | 180.0° |
| C40 | C42 | C44 | C3 | 0.7° | 0.3° |
| C40 | C42 | C44 | C45 | 179.8° | 180.0° |
| H40 | C40 | C42 | C44 | 178.9° | 180.0° |
| H40 | C40 | C42 | H42 | 1.1° | 0.0° |
| C42 | C44 | C3 | C4 | 0.4° | 0.3° |
| C42 | C44 | C3 | C45 | 179.6° | 179.7° |
| C42 | C44 | C3 | N1 | 179.9° | 179.8° |
| C42 | C44 | C45 | C2 | 179.2° | 180.0° |
| C42 | C44 | C45 | H45 | 0.8° | 0.0° |
| H42 | C42 | C44 | C3 | 179.3° | 179.7° |
| H42 | C42 | C44 | C45 | 0.2° | 0.0° |
| C4 | C3 | C44 | N1 | 179.5° | 179.9° |
| C4 | C3 | N1 | C87 | 180.0° | 180.0° |
| C4 | C3 | C44 | C45 | 180.0° | 180.0° |
| H4 | C4 | C3 | C44 | 179.5° | 180.0° |
| H4 | C4 | C3 | N1 | 0.0° | 0.1° |
| C44 | C3 | N1 | C87 | 0.5° | 0.1° |
| C3 | C44 | C45 | C2 | 1.2° | 0.3° |
| C3 | C44 | C45 | H45 | 178.7° | 179.7° |
| N1 | C3 | C44 | C45 | 0.5° | 0.1° |
| C3 | N1 | C87 | C2 | 1.1° | 0.3° |
| C3 | N1 | C87 | C85 | 179.6° | 179.8° |
| N1 | C87 | C2 | C45 | 1.8° | 0.4° |
| N1 | C87 | C2 | C47 | 180.0° | 180.0° |
| N1 | C87 | C2 | C85 | 178.5° | 179.6° |
| N1 | C87 | C85 | C51 | 179.5° | 179.6° |
| N1 | C87 | C85 | H85 | 0.5° | 0.1° |
| C44 | C45 | C2 | H45 | 180.0° | 179.9° |
| C44 | C45 | C2 | C47 | 180.0° | 179.9° |
| C44 | C45 | C2 | C87 | 1.8° | 0.4° |
| C45 | C2 | C47 | C87 | 178.2° | 179.5° |
| C45 | C2 | C87 | C85 | 179.7° | 180.0° |
| C45 | C2 | C47 | C49 | 179.2° | 180.0° |
| C45 | C2 | C47 | H47 | 0.8° | 0.1° |
| H45 | C45 | C2 | C47 | 0.0° | 0.0° |
| H45 | C45 | C2 | C87 | 178.1° | 179.5° |
| C47 | C2 | C87 | C85 | 1.5° | 0.4° |
| C2 | C47 | C49 | H47 | 180.0° | 179.9° |
| C2 | C47 | C49 | C51 | 1.1° | 0.1° |
| C2 | C47 | C49 | H49 | 178.9° | 179.9° |
| C87 | C2 | C47 | C49 | 1.1° | 0.5° |
| C87 | C2 | C47 | H47 | 178.9° | 179.7° |
| C2 | C87 | C85 | C51 | 1.9° | 0.0° |
| C2 | C87 | C85 | H85 | 178.1° | 179.5° |
| C87 | C85 | C51 | C49 | 1.9° | 0.4° |
| C87 | C85 | C51 | N52 | 176.6° | 179.9° |
| C87 | C85 | C51 | H85 | 180.0° | 179.5° |
| C47 | C49 | C51 | H49 | 180.0° | 180.0° |
| C47 | C49 | C51 | N52 | 176.2° | 180.0° |
| C47 | C49 | C51 | C85 | 1.5° | 0.4° |
| H47 | C47 | C49 | C51 | 178.9° | 179.9° |
| H47 | C47 | C49 | H49 | 1.1° | 0.1° |
| C49 | C51 | N52 | C85 | 174.6° | 179.6° |
| C49 | C51 | C85 | H85 | 178.1° | 179.9° |
| C49 | C51 | N52 | C54 | 173.3° | 36.9° |
| C49 | C51 | N52 | HN52 | 6.7° | 143.0° |
| H49 | C49 | C51 | N52 | 3.8° | 0.0° |
| H49 | C49 | C51 | C85 | 178.5° | 179.6° |
| N52 | C51 | C85 | H85 | 3.4° | 0.4° |
| C51 | N52 | C54 | HN52 | 180.0° | 179.9° |
| C51 | N52 | C54 | C55 | 174.8° | 175.2° |
| C51 | N52 | C54 | O84 | 8.4° | 4.7° |
| C85 | C51 | N52 | C54 | 12.1° | 143.5° |
| C85 | C51 | N52 | HN52 | 167.9° | 36.6° |
| N52 | C54 | C55 | O84 | 176.9° | 179.9° |
| N52 | C54 | C55 | C58 | 170.5° | 179.9° |
| N52 | C54 | C55 | H55 | 69.5° | 60.0° |
| N52 | C54 | C55 | H55A | 50.7° | 60.0° |
| HN52 | N52 | C54 | C55 | 5.2° | 4.9° |
| HN52 | N52 | C54 | O84 | 171.6° | 175.2° |
| C54 | C55 | C58 | H55 | 120.0° | 120.0° |
| C54 | C55 | C58 | H55A | 119.8° | 120.0° |
| C54 | C55 | H55 | H55A | 119.9° | 120.0° |
| C54 | C55 | C58 | N61 | 143.2° | 175.6° |
| C54 | C55 | C58 | H58 | 23.2° | 55.5° |
| C54 | C55 | C58 | H58A | 99.5° | 64.4° |
| O84 | C54 | C55 | C58 | 12.6° | 0.0° |
| O84 | C54 | C55 | H55 | 107.4° | 120.0° |
| O84 | C54 | C55 | H55A | 132.4° | 119.9° |
| C58 | C55 | H55 | H55A | 119.8° | 120.0° |
| C55 | C58 | N61 | H58 | 120.0° | 120.0° |
| C55 | C58 | N61 | H58A | 117.2° | 120.0° |
| C55 | C58 | H58 | H58A | 117.5° | 120.0° |
| C55 | C58 | N61 | C75 | 24.2° | 155.2° |
| C55 | C58 | N61 | C31 | 172.0° | 75.9° |
| H55 | C55 | C58 | N61 | 96.7° | 64.4° |
| H55 | C55 | C58 | H58 | 143.3° | 175.6° |
| H55 | C55 | C58 | H58A | 20.5° | 55.6° |
| H55A | C55 | C58 | N61 | 23.4° | 55.6° |
| H55A | C55 | C58 | H58 | 96.6° | 64.5° |
| H55A | C55 | C58 | H58A | 140.6° | 175.6° |
| N61 | C58 | H58 | H58A | 117.5° | 120.0° |
| C58 | N61 | C75 | C31 | 147.3° | 126.9° |
| C58 | N61 | C75 | C72 | 139.2° | 150.3° |
| C58 | N61 | C75 | H75 | 100.8° | 90.0° |
| C58 | N61 | C75 | H75A | 18.4° | 30.6° |
| C58 | N61 | C31 | C29 | 125.7° | 170.9° |
| C58 | N61 | C31 | H31 | 5.7° | 50.3° |
| C58 | N61 | C31 | H31A | 113.6° | 68.6° |
| H58 | C58 | N61 | C75 | 144.2° | 84.8° |
| H58 | C58 | N61 | C31 | 68.0° | 44.2° |
| H58A | C58 | N61 | C75 | 93.0° | 35.2° |
| H58A | C58 | N61 | C31 | 54.8° | 164.1° |
| N61 | C75 | C72 | H75 | 120.0° | 119.6° |
| N61 | C75 | C72 | H75A | 120.8° | 119.7° |
| N61 | C75 | H75 | H75A | 120.8° | 120.6° |
| N61 | C75 | C72 | C69 | 79.9° | 95.0° |
| N61 | C75 | C72 | H72 | 160.2° | 144.4° |
| N61 | C75 | C72 | H72A | 38.4° | 25.5° |
| C75 | N61 | C31 | C29 | 85.4° | 62.2° |
| C75 | N61 | C31 | H31 | 154.6° | 177.1° |
| C75 | N61 | C31 | H31A | 35.4° | 58.3° |
| C31 | N61 | C75 | C72 | 73.5° | 82.8° |
| C31 | N61 | C75 | H75 | 46.5° | 36.8° |
| C31 | N61 | C75 | H75A | 165.8° | 157.5° |
| N61 | C31 | C29 | C66 | 85.2° | 77.4° |
| N61 | C31 | C29 | H31 | 120.0° | 120.6° |
| N61 | C31 | C29 | H31A | 120.8° | 120.5° |
| N61 | C31 | C29 | H29 | 154.8° | 162.8° |
| N61 | C31 | C29 | H29A | 32.3° | 42.6° |
| N61 | C31 | H31 | H31A | 120.8° | 118.8° |
| C72 | C75 | H75 | H75A | 120.8° | 120.8° |
| C75 | C72 | C69 | H72 | 120.0° | 120.6° |
| C75 | C72 | C69 | H72A | 118.3° | 120.5° |
| C75 | C72 | H72 | H72A | 118.4° | 118.9° |
| C75 | C72 | C69 | C66 | 81.3° | 40.9° |
| C75 | C72 | C69 | H69 | 38.7° | 79.7° |
| C75 | C72 | C69 | H69A | 161.5° | 161.6° |
| H75 | C75 | C72 | C69 | 40.1° | 24.6° |
| H75 | C75 | C72 | H72 | 79.8° | 96.0° |
| H75 | C75 | C72 | H72A | 158.4° | 145.1° |
| H75A | C75 | C72 | C69 | 159.4° | 145.3° |
| H75A | C75 | C72 | H72 | 39.4° | 24.7° |
| H75A | C75 | C72 | H72A | 82.4° | 94.2° |
| C69 | C72 | H72 | H72A | 118.4° | 118.9° |
| C72 | C69 | C66 | H69 | 120.0° | 120.6° |
| C72 | C69 | C66 | H69A | 117.2° | 120.7° |
| C72 | C69 | H69 | H69A | 117.5° | 118.8° |
| C72 | C69 | C66 | C29 | 29.4° | 41.5° |
| C72 | C69 | C66 | H66 | 149.4° | 79.2° |
| C72 | C69 | C66 | H66A | 86.5° | 162.3° |
| H72 | C72 | C69 | C66 | 158.8° | 161.5° |
| H72 | C72 | C69 | H69 | 81.2° | 40.9° |
| H72 | C72 | C69 | H69A | 41.5° | 77.8° |
| H72A | C72 | C69 | C66 | 37.0° | 79.6° |
| H72A | C72 | C69 | H69 | 157.0° | 159.8° |
| H72A | C72 | C69 | H69A | 80.2° | 41.1° |
| C66 | C69 | H69 | H69A | 117.5° | 118.8° |
| C69 | C66 | C29 | H66 | 120.0° | 120.8° |
| C69 | C66 | C29 | H66A | 115.9° | 120.8° |
| C69 | C66 | H66 | H66A | 116.4° | 118.5° |
| C69 | C66 | C29 | C31 | 41.7° | 93.0° |
| C69 | C66 | C29 | H29 | 161.7° | 147.1° |
| C69 | C66 | C29 | H29A | 75.8° | 27.0° |
| H69 | C69 | C66 | C29 | 90.6° | 162.1° |
| H69 | C69 | C66 | H66 | 29.4° | 41.4° |
| H69 | C69 | C66 | H66A | 153.5° | 77.1° |
| H69A | C69 | C66 | C29 | 146.6° | 79.2° |
| H69A | C69 | C66 | H66 | 93.4° | 160.1° |
| H69A | C69 | C66 | H66A | 30.7° | 41.6° |
| C29 | C66 | H66 | H66A | 116.5° | 118.5° |
| C66 | C29 | C31 | H29 | 120.0° | 119.8° |
| C66 | C29 | C31 | H29A | 117.5° | 120.0° |
| C66 | C29 | H29 | H29A | 117.7° | 120.2° |
| C66 | C29 | C31 | H31 | 154.8° | 162.0° |
| C66 | C29 | C31 | H31A | 35.5° | 43.1° |
| H66 | C66 | C29 | C31 | 78.3° | 27.7° |
| H66 | C66 | C29 | H29 | 41.7° | 92.1° |
| H66 | C66 | C29 | H29A | 164.2° | 147.7° |
| H66A | C66 | C29 | C31 | 157.6° | 146.2° |
| H66A | C66 | C29 | H29 | 82.4° | 26.4° |
| H66A | C66 | C29 | H29A | 40.1° | 93.8° |
| C31 | C29 | H29 | H29A | 117.7° | 120.3° |
| C29 | C31 | H31 | H31A | 120.7° | 118.9° |
| H29 | C29 | C31 | H31 | 34.8° | 42.1° |
| H29 | C29 | C31 | H31A | 84.5° | 76.7° |
| H29A | C29 | C31 | H31 | 87.8° | 78.1° |
| H29A | C29 | C31 | H31A | 153.0° | 163.1° |
