7A8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.50Å | 1.57Å | |
| C5 | C10 | sing | 1.53Å | 1.59Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | doub | 1.29Å | 1.37Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.50Å | 1.53Å | |
| C7 | C13 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.59Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | N12 | sing | 1.47Å | 1.49Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| N12 | C14 | sing | 1.47Å | 1.40Å | |
| N12 | C15 | sing | 1.47Å | 1.39Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C10 | 112.8° | 110.1° |
| C6 | C5 | H51 | 111.0° | 109.3° |
| C6 | C5 | H52 | 111.0° | 109.3° |
| C5 | C6 | C7 | 116.0° | 124.1° |
| C5 | C6 | H6 | 128.2° | 117.9° |
| C10 | C5 | H51 | 111.0° | 109.8° |
| C10 | C5 | H52 | 111.0° | 109.1° |
| C5 | C10 | C9 | 112.2° | 108.7° |
| C5 | C10 | N12 | 108.3° | 109.7° |
| C5 | C10 | H10 | 109.8° | 109.6° |
| H51 | C5 | H52 | 99.4° | 109.2° |
| C7 | C6 | H6 | 115.8° | 118.0° |
| C6 | C7 | C8 | 114.5° | 124.1° |
| C6 | C7 | C13 | 128.7° | 118.0° |
| C8 | C7 | C13 | 116.8° | 118.0° |
| C7 | C8 | C9 | 108.9° | 110.2° |
| C7 | C8 | H81 | 112.4° | 109.4° |
| C7 | C8 | H82 | 112.4° | 109.4° |
| C7 | C13 | H131 | 128.7° | 109.4° |
| C7 | C13 | H132 | 105.5° | 109.5° |
| C7 | C13 | H133 | 105.5° | 109.5° |
| C9 | C8 | H81 | 112.5° | 109.4° |
| C9 | C8 | H82 | 112.4° | 109.3° |
| C8 | C9 | C10 | 107.5° | 108.5° |
| C8 | C9 | H91 | 112.9° | 109.6° |
| C8 | C9 | H92 | 112.9° | 109.6° |
| H81 | C8 | H82 | 98.0° | 109.2° |
| C10 | C9 | H91 | 113.0° | 109.6° |
| C10 | C9 | H92 | 113.0° | 109.7° |
| C9 | C10 | N12 | 113.1° | 109.6° |
| C9 | C10 | H10 | 104.6° | 109.6° |
| H91 | C9 | H92 | 97.5° | 109.8° |
| N12 | C10 | H10 | 108.9° | 109.6° |
| C10 | N12 | C14 | 122.5° | 106.7° |
| C10 | N12 | C15 | 116.0° | 106.8° |
| C14 | N12 | C15 | 103.6° | 106.7° |
| N12 | C14 | H141 | 122.5° | 109.6° |
| N12 | C14 | H142 | 107.6° | 109.5° |
| N12 | C14 | H143 | 107.6° | 109.5° |
| N12 | C15 | H151 | 116.0° | 109.4° |
| N12 | C15 | H152 | 109.8° | 109.5° |
| N12 | C15 | H153 | 109.8° | 109.5° |
| H131 | C13 | H132 | 105.4° | 109.4° |
| H131 | C13 | H133 | 105.5° | 109.5° |
| H132 | C13 | H133 | 103.8° | 109.5° |
| H141 | C14 | H142 | 107.6° | 109.5° |
| H141 | C14 | H143 | 107.6° | 109.4° |
| H142 | C14 | H143 | 102.2° | 109.4° |
| H151 | C15 | H152 | 109.9° | 109.5° |
| H151 | C15 | H153 | 109.8° | 109.4° |
| H152 | C15 | H153 | 100.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C10 | H51 | 125.3° | 120.4° |
| C6 | C5 | C10 | H52 | 125.2° | 119.9° |
| C6 | C5 | H51 | H52 | 116.9° | 119.5° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | C8 | 0.3° | 0.3° |
| C5 | C6 | C7 | C13 | 179.8° | 179.7° |
| C6 | C5 | C10 | C9 | 35.8° | 49.1° |
| C6 | C5 | C10 | N12 | 89.7° | 168.9° |
| C6 | C5 | C10 | H10 | 151.6° | 70.7° |
| C10 | C5 | H51 | H52 | 116.8° | 119.6° |
| C10 | C5 | C6 | C7 | 47.7° | 16.7° |
| C10 | C5 | C6 | H6 | 132.3° | 163.1° |
| C5 | C10 | C9 | C8 | 16.9° | 67.3° |
| C5 | C10 | C9 | N12 | 122.8° | 119.9° |
| C5 | C10 | C9 | H10 | 118.9° | 119.8° |
| C5 | C10 | C9 | H91 | 142.1° | 52.4° |
| C5 | C10 | C9 | H92 | 108.4° | 173.0° |
| C5 | C10 | N12 | H10 | 119.3° | 120.4° |
| C5 | C10 | N12 | C14 | 67.0° | 60.4° |
| C5 | C10 | N12 | C15 | 164.6° | 174.2° |
| H51 | C5 | C6 | C7 | 172.9° | 137.4° |
| H51 | C5 | C6 | H6 | 7.1° | 42.4° |
| H51 | C5 | C10 | C9 | 161.1° | 169.5° |
| H51 | C5 | C10 | N12 | 35.6° | 70.7° |
| H51 | C5 | C10 | H10 | 83.1° | 49.7° |
| H52 | C5 | C6 | C7 | 77.6° | 103.0° |
| H52 | C5 | C6 | H6 | 102.4° | 77.1° |
| H52 | C5 | C10 | C9 | 89.4° | 70.8° |
| H52 | C5 | C10 | N12 | 145.0° | 49.0° |
| H52 | C5 | C10 | H10 | 26.3° | 169.4° |
| C6 | C7 | C8 | C13 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 57.6° | 17.2° |
| C6 | C7 | C8 | H81 | 67.7° | 137.4° |
| C6 | C7 | C8 | H82 | 177.1° | 103.0° |
| C6 | C7 | C13 | H131 | 180.0° | 0.0° |
| C6 | C7 | C13 | H132 | 54.8° | 120.0° |
| C6 | C7 | C13 | H133 | 54.7° | 119.9° |
| H6 | C6 | C7 | C8 | 179.7° | 179.5° |
| H6 | C6 | C7 | C13 | 0.2° | 0.4° |
| C7 | C8 | C9 | H81 | 125.3° | 120.2° |
| C7 | C8 | C9 | H82 | 125.3° | 120.2° |
| C7 | C8 | H81 | H82 | 118.4° | 119.7° |
| C7 | C8 | C9 | C10 | 64.3° | 49.4° |
| C7 | C8 | C9 | H91 | 170.4° | 70.2° |
| C7 | C8 | C9 | H92 | 61.0° | 169.1° |
| C8 | C7 | C13 | H131 | 0.0° | 180.0° |
| C8 | C7 | C13 | H132 | 125.1° | 60.0° |
| C8 | C7 | C13 | H133 | 125.3° | 60.0° |
| C13 | C7 | C8 | C9 | 122.4° | 162.9° |
| C13 | C7 | C8 | H81 | 112.3° | 42.6° |
| C13 | C7 | C8 | H82 | 2.8° | 77.0° |
| C7 | C13 | H131 | H132 | 125.2° | 120.0° |
| C7 | C13 | H131 | H133 | 125.3° | 120.0° |
| C7 | C13 | H132 | H133 | 110.8° | 120.0° |
| C9 | C8 | H81 | H82 | 118.3° | 119.6° |
| C8 | C9 | C10 | H91 | 125.2° | 119.6° |
| C8 | C9 | C10 | H92 | 125.3° | 119.7° |
| C8 | C9 | H91 | H92 | 118.8° | 120.5° |
| C8 | C9 | C10 | N12 | 139.7° | 172.9° |
| C8 | C9 | C10 | H10 | 102.0° | 52.5° |
| H81 | C8 | C9 | C10 | 61.0° | 169.6° |
| H81 | C8 | C9 | H91 | 64.3° | 50.0° |
| H81 | C8 | C9 | H92 | 173.7° | 70.6° |
| H82 | C8 | C9 | C10 | 170.4° | 70.8° |
| H82 | C8 | C9 | H91 | 45.2° | 169.6° |
| H82 | C8 | C9 | H92 | 64.2° | 48.9° |
| C10 | C9 | H91 | H92 | 118.9° | 120.6° |
| C9 | C10 | N12 | H10 | 115.7° | 120.3° |
| C9 | C10 | N12 | C14 | 58.0° | 179.6° |
| C9 | C10 | N12 | C15 | 70.4° | 66.6° |
| H91 | C9 | C10 | N12 | 95.1° | 67.5° |
| H91 | C9 | C10 | H10 | 23.2° | 172.2° |
| H92 | C9 | C10 | N12 | 14.4° | 53.1° |
| H92 | C9 | C10 | H10 | 132.7° | 67.2° |
| C10 | N12 | C14 | C15 | 133.6° | 113.9° |
| C10 | N12 | C14 | H141 | 180.0° | 180.0° |
| C10 | N12 | C14 | H142 | 54.8° | 59.9° |
| C10 | N12 | C14 | H143 | 54.7° | 60.0° |
| C10 | N12 | C15 | H151 | 180.0° | 66.2° |
| C10 | N12 | C15 | H152 | 54.7° | 173.8° |
| C10 | N12 | C15 | H153 | 54.7° | 53.7° |
| H10 | C10 | N12 | C14 | 173.8° | 60.1° |
| H10 | C10 | N12 | C15 | 45.3° | 53.7° |
| N12 | C14 | H141 | H142 | 125.3° | 120.1° |
| N12 | C14 | H141 | H143 | 125.3° | 120.0° |
| N12 | C14 | H142 | H143 | 113.1° | 120.0° |
| C14 | N12 | C15 | H151 | 42.8° | 180.0° |
| C14 | N12 | C15 | H152 | 168.2° | 60.0° |
| C14 | N12 | C15 | H153 | 82.5° | 60.1° |
| C15 | N12 | C14 | H141 | 46.4° | 66.1° |
| C15 | N12 | C14 | H142 | 78.9° | 173.8° |
| C15 | N12 | C14 | H143 | 171.7° | 53.9° |
| N12 | C15 | H151 | H152 | 125.3° | 120.0° |
| N12 | C15 | H151 | H153 | 125.2° | 119.9° |
| N12 | C15 | H152 | H153 | 115.6° | 120.0° |
| H131 | C13 | H132 | H133 | 110.7° | 120.0° |
| H141 | C14 | H142 | H143 | 113.1° | 119.9° |
| H151 | C15 | H152 | H153 | 115.6° | 120.0° |
