60H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C49 | C50 | doub | 1.38Å | 1.38Å | Aromatic |
| C49 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C50 | C51 | sing | 1.38Å | 1.38Å | Aromatic |
| C48 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| C51 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | C39 | sing | 1.51Å | 1.52Å | |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C39 | C38 | sing | 1.53Å | 1.55Å | |
| C41 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C40 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | N10 | sing | 1.49Å | 1.46Å | |
| C38 | C37 | sing | 1.55Å | 1.53Å | |
| N10 | C35 | sing | 1.48Å | 1.47Å | |
| C42 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.55Å | 1.52Å | |
| C35 | C36 | sing | 1.54Å | 1.52Å | |
| N10 | H1 | sing | 1.01Å | 1.00Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C51 | H77 | sing | 1.08Å | 1.08Å | |
| C50 | H76 | sing | 1.08Å | 1.08Å | |
| C49 | H75 | sing | 1.08Å | 1.08Å | |
| C48 | H74 | sing | 1.08Å | 1.08Å | |
| C47 | H73 | sing | 1.08Å | 1.08Å | |
| C45 | H72 | sing | 1.08Å | 1.08Å | |
| C44 | H71 | sing | 1.08Å | 1.08Å | |
| C43 | H70 | sing | 1.08Å | 1.08Å | |
| C42 | H69 | sing | 1.08Å | 1.08Å | |
| C41 | H68 | sing | 1.08Å | 1.08Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C50 | C49 | C48 | 119.7° | 120.0° |
| C49 | C50 | C51 | 120.2° | 120.0° |
| C49 | C50 | H76 | 119.9° | 120.0° |
| C50 | C49 | H75 | 120.2° | 120.0° |
| C49 | C48 | C47 | 120.3° | 120.0° |
| C48 | C49 | H75 | 120.2° | 120.0° |
| C49 | C48 | H74 | 119.9° | 120.0° |
| C50 | C51 | C46 | 120.7° | 120.0° |
| C50 | C51 | H77 | 119.6° | 120.0° |
| C51 | C50 | H76 | 119.9° | 120.0° |
| C48 | C47 | C46 | 120.6° | 120.0° |
| C47 | C48 | H74 | 119.9° | 120.0° |
| C48 | C47 | H73 | 119.7° | 120.0° |
| C51 | C46 | C47 | 118.5° | 120.0° |
| C51 | C46 | C39 | 120.5° | 120.0° |
| C46 | C51 | H77 | 119.6° | 120.0° |
| C47 | C46 | C39 | 120.9° | 120.0° |
| C46 | C47 | H73 | 119.7° | 120.0° |
| C46 | C39 | C40 | 111.3° | 109.4° |
| C46 | C39 | C38 | 114.0° | 109.5° |
| C46 | C39 | H67 | 105.6° | 109.5° |
| C40 | C39 | C38 | 114.0° | 109.5° |
| C39 | C40 | C41 | 120.2° | 120.0° |
| C39 | C40 | C45 | 121.2° | 120.0° |
| C40 | C39 | H67 | 105.6° | 109.5° |
| C39 | C38 | N10 | 109.2° | 110.6° |
| C39 | C38 | C37 | 113.8° | 110.6° |
| C39 | C38 | H66 | 109.8° | 110.7° |
| C38 | C39 | H67 | 105.4° | 109.5° |
| C40 | C41 | C42 | 120.6° | 120.0° |
| C41 | C40 | C45 | 118.6° | 120.0° |
| C40 | C41 | H68 | 119.7° | 120.1° |
| C41 | C42 | C43 | 120.3° | 120.0° |
| C41 | C42 | H69 | 119.9° | 120.0° |
| C42 | C41 | H68 | 119.7° | 119.9° |
| C40 | C45 | C44 | 120.6° | 120.0° |
| C40 | C45 | H72 | 119.7° | 120.0° |
| N10 | C38 | C37 | 103.0° | 103.2° |
| C38 | N10 | C35 | 113.5° | 105.8° |
| C38 | N10 | H1 | 108.5° | 111.0° |
| N10 | C38 | H66 | 111.0° | 110.7° |
| C38 | C37 | C36 | 105.9° | 102.9° |
| C37 | C38 | H66 | 110.0° | 110.7° |
| C38 | C37 | H65 | 110.4° | 110.8° |
| C38 | C37 | H64 | 110.4° | 110.6° |
| N10 | C35 | C36 | 104.1° | 107.0° |
| C35 | N10 | H1 | 108.5° | 111.0° |
| N10 | C35 | H60 | 110.8° | 109.9° |
| N10 | C35 | H61 | 110.8° | 109.9° |
| C42 | C43 | C44 | 119.7° | 120.0° |
| C42 | C43 | H70 | 120.1° | 120.0° |
| C43 | C42 | H69 | 119.8° | 120.0° |
| C45 | C44 | C43 | 120.3° | 120.0° |
| C44 | C45 | H72 | 119.7° | 120.0° |
| C45 | C44 | H71 | 119.9° | 120.0° |
| C43 | C44 | H71 | 119.8° | 120.0° |
| C44 | C43 | H70 | 120.2° | 120.0° |
| C37 | C36 | C35 | 107.8° | 105.2° |
| C36 | C37 | H65 | 110.4° | 110.8° |
| C36 | C37 | H64 | 110.4° | 110.7° |
| C37 | C36 | H63 | 109.9° | 110.3° |
| C37 | C36 | H62 | 109.8° | 110.3° |
| C35 | C36 | H63 | 109.9° | 110.3° |
| C35 | C36 | H62 | 109.9° | 110.4° |
| C36 | C35 | H60 | 110.8° | 109.9° |
| C36 | C35 | H61 | 110.8° | 109.9° |
| H65 | C37 | H64 | 109.5° | 110.8° |
| H63 | C36 | H62 | 109.5° | 110.2° |
| H60 | C35 | H61 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C50 | C49 | C48 | H75 | 180.0° | 180.0° |
| C49 | C50 | C51 | H76 | 180.0° | 179.9° |
| C50 | C49 | C48 | C47 | 0.4° | 0.3° |
| C49 | C50 | C51 | C46 | 0.1° | 0.0° |
| C49 | C50 | C51 | H77 | 179.9° | 180.0° |
| C50 | C49 | C48 | H74 | 179.6° | 180.0° |
| C48 | C49 | C50 | C51 | 0.1° | 0.0° |
| C49 | C48 | C47 | H74 | 180.0° | 179.7° |
| C49 | C48 | C47 | C46 | 0.5° | 0.6° |
| C48 | C49 | C50 | H76 | 180.0° | 180.0° |
| C49 | C48 | C47 | H73 | 179.5° | 180.0° |
| C50 | C51 | C46 | H77 | 180.0° | 180.0° |
| C50 | C51 | C46 | C47 | 0.1° | 0.4° |
| C50 | C51 | C46 | C39 | 175.9° | 180.0° |
| C51 | C50 | C49 | H75 | 179.9° | 179.9° |
| C48 | C47 | C46 | C51 | 0.4° | 0.7° |
| C48 | C47 | C46 | H73 | 180.0° | 179.4° |
| C48 | C47 | C46 | C39 | 175.5° | 179.7° |
| C47 | C48 | C49 | H75 | 179.6° | 179.8° |
| C51 | C46 | C47 | C39 | 175.9° | 179.6° |
| C51 | C46 | C39 | C40 | 40.8° | 115.2° |
| C51 | C46 | C39 | C38 | 171.5° | 124.8° |
| C51 | C46 | C39 | H67 | 73.3° | 4.7° |
| C46 | C51 | C50 | H76 | 179.9° | 179.9° |
| C51 | C46 | C47 | H73 | 179.6° | 180.0° |
| C47 | C46 | C39 | C40 | 143.3° | 65.1° |
| C47 | C46 | C39 | C38 | 12.6° | 54.8° |
| C47 | C46 | C39 | H67 | 102.5° | 174.9° |
| C47 | C46 | C51 | H77 | 179.9° | 179.7° |
| C46 | C47 | C48 | H74 | 179.4° | 179.6° |
| C46 | C39 | C40 | C38 | 130.7° | 120.0° |
| C46 | C39 | C40 | H67 | 114.1° | 120.0° |
| C46 | C39 | C38 | H67 | 115.3° | 120.1° |
| C46 | C39 | C40 | C41 | 140.7° | 60.9° |
| C46 | C39 | C40 | C45 | 37.9° | 118.8° |
| C46 | C39 | C38 | N10 | 169.7° | 53.5° |
| C46 | C39 | C38 | C37 | 75.9° | 60.3° |
| C46 | C39 | C38 | H66 | 47.8° | 176.6° |
| C39 | C46 | C51 | H77 | 4.1° | 0.1° |
| C39 | C46 | C47 | H73 | 4.5° | 0.3° |
| C40 | C39 | C38 | H67 | 115.3° | 120.0° |
| C39 | C40 | C41 | C45 | 178.6° | 179.7° |
| C39 | C40 | C41 | C42 | 178.2° | 179.7° |
| C40 | C39 | C38 | N10 | 60.9° | 66.5° |
| C40 | C39 | C38 | C37 | 53.5° | 179.8° |
| C39 | C40 | C45 | C44 | 178.1° | 180.0° |
| C40 | C39 | C38 | H66 | 177.2° | 56.6° |
| C39 | C40 | C45 | H72 | 1.9° | 0.0° |
| C39 | C40 | C41 | H68 | 1.8° | 0.1° |
| C38 | C39 | C40 | C41 | 88.6° | 59.1° |
| C38 | C39 | C40 | C45 | 92.8° | 121.2° |
| C39 | C38 | N10 | C37 | 121.2° | 118.4° |
| C39 | C38 | N10 | H66 | 121.1° | 123.1° |
| C39 | C38 | C37 | H66 | 123.6° | 123.2° |
| C39 | C38 | N10 | C35 | 100.4° | 157.6° |
| C39 | C38 | C37 | C36 | 94.4° | 155.8° |
| C39 | C38 | N10 | H1 | 139.0° | 81.9° |
| C39 | C38 | C37 | H65 | 25.1° | 37.4° |
| C39 | C38 | C37 | H64 | 146.2° | 85.8° |
| C40 | C41 | C42 | H68 | 180.0° | 179.8° |
| C40 | C41 | C42 | C43 | 0.1° | 0.5° |
| C41 | C40 | C45 | C44 | 0.5° | 0.3° |
| C41 | C40 | C39 | H67 | 26.5° | 179.1° |
| C41 | C40 | C45 | H72 | 179.5° | 179.7° |
| C40 | C41 | C42 | H69 | 179.9° | 179.7° |
| C42 | C41 | C40 | C45 | 0.4° | 0.5° |
| C41 | C42 | C43 | H69 | 180.0° | 179.7° |
| C41 | C42 | C43 | C44 | 0.1° | 0.3° |
| C41 | C42 | C43 | H70 | 179.9° | 179.7° |
| C40 | C45 | C44 | H72 | 180.0° | 180.0° |
| C40 | C45 | C44 | C43 | 0.3° | 0.0° |
| C45 | C40 | C39 | H67 | 152.0° | 1.2° |
| C40 | C45 | C44 | H71 | 179.7° | 180.0° |
| C45 | C40 | C41 | H68 | 179.6° | 179.7° |
| N10 | C38 | C37 | H66 | 118.3° | 118.5° |
| C38 | N10 | C35 | H1 | 120.6° | 120.5° |
| N10 | C38 | C37 | C36 | 23.7° | 37.5° |
| C38 | N10 | C35 | C36 | 9.2° | 25.4° |
| N10 | C38 | C39 | H67 | 54.4° | 173.6° |
| N10 | C38 | C37 | H65 | 143.1° | 80.9° |
| N10 | C38 | C37 | H64 | 95.7° | 155.8° |
| C38 | N10 | C35 | H60 | 128.4° | 94.0° |
| C38 | N10 | C35 | H61 | 109.9° | 144.7° |
| C37 | C38 | N10 | C35 | 20.9° | 39.3° |
| C38 | C37 | C36 | H65 | 119.4° | 118.4° |
| C38 | C37 | C36 | H64 | 119.4° | 118.3° |
| C38 | C37 | C36 | C35 | 19.3° | 22.0° |
| C37 | C38 | N10 | H1 | 99.7° | 159.8° |
| C37 | C38 | C39 | H67 | 168.8° | 59.8° |
| C38 | C37 | H65 | H64 | 121.7° | 123.2° |
| C38 | C37 | C36 | H63 | 100.5° | 141.0° |
| C38 | C37 | C36 | H62 | 139.1° | 97.0° |
| N10 | C35 | C36 | C37 | 6.8° | 1.2° |
| N10 | C35 | C36 | H60 | 119.2° | 119.3° |
| N10 | C35 | C36 | H61 | 119.1° | 119.4° |
| C35 | N10 | C38 | H66 | 138.5° | 79.3° |
| N10 | C35 | C36 | H63 | 113.0° | 117.7° |
| N10 | C35 | C36 | H62 | 126.5° | 120.2° |
| N10 | C35 | H60 | H61 | 122.5° | 121.2° |
| C42 | C43 | C44 | C45 | 0.0° | 0.0° |
| C42 | C43 | C44 | H70 | 180.0° | 180.0° |
| C42 | C43 | C44 | H71 | 180.0° | 180.0° |
| C43 | C42 | C41 | H68 | 179.9° | 179.7° |
| C45 | C44 | C43 | H71 | 180.0° | 180.0° |
| C45 | C44 | C43 | H70 | 180.0° | 180.0° |
| C43 | C44 | C45 | H72 | 179.7° | 180.0° |
| C44 | C43 | C42 | H69 | 179.9° | 180.0° |
| C37 | C36 | C35 | H63 | 119.8° | 118.9° |
| C37 | C36 | C35 | H62 | 119.7° | 118.9° |
| C36 | C37 | C38 | H66 | 142.0° | 81.0° |
| C36 | C37 | H65 | H64 | 121.7° | 123.3° |
| C37 | C36 | H63 | H62 | 120.7° | 122.1° |
| C37 | C36 | C35 | H60 | 112.4° | 118.1° |
| C37 | C36 | C35 | H61 | 125.9° | 120.6° |
| C36 | C35 | N10 | H1 | 111.4° | 145.8° |
| C35 | C36 | C37 | H65 | 138.7° | 96.4° |
| C35 | C36 | C37 | H64 | 100.1° | 140.3° |
| C35 | C36 | H63 | H62 | 120.8° | 122.2° |
| C36 | C35 | H60 | H61 | 122.5° | 121.2° |
| H1 | N10 | C38 | H66 | 17.9° | 41.2° |
| H1 | N10 | C35 | H60 | 7.8° | 26.5° |
| H1 | N10 | C35 | H61 | 129.5° | 94.8° |
| H66 | C38 | C39 | H67 | 67.5° | 63.4° |
| H66 | C38 | C37 | H65 | 98.5° | 160.6° |
| H66 | C38 | C37 | H64 | 22.6° | 37.3° |
| H77 | C51 | C50 | H76 | 0.1° | 0.0° |
| H76 | C50 | C49 | H75 | 0.0° | 0.0° |
| H75 | C49 | C48 | H74 | 0.4° | 0.0° |
| H74 | C48 | C47 | H73 | 0.6° | 0.3° |
| H72 | C45 | C44 | H71 | 0.3° | 0.0° |
| H71 | C44 | C43 | H70 | 0.0° | 0.0° |
| H70 | C43 | C42 | H69 | 0.1° | 0.0° |
| H69 | C42 | C41 | H68 | 0.1° | 0.1° |
| H65 | C37 | C36 | H63 | 19.0° | 22.5° |
| H65 | C37 | C36 | H62 | 101.5° | 144.6° |
| H64 | C37 | C36 | H63 | 140.1° | 100.8° |
| H64 | C37 | C36 | H62 | 19.6° | 21.2° |
| H63 | C36 | C35 | H60 | 127.9° | 122.9° |
| H63 | C36 | C35 | H61 | 6.2° | 1.7° |
| H62 | C36 | C35 | H60 | 7.4° | 0.8° |
| H62 | C36 | C35 | H61 | 114.3° | 120.5° |
