336
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N12 | sing | 1.47Å | 1.47Å | |
| C1 | C13 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | C13 | sing | 1.53Å | 1.52Å | |
| C4 | C33 | sing | 1.53Å | 1.59Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C6 | C9 | sing | 1.54Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C9 | N12 | sing | 1.47Å | 1.46Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| N12 | C65 | sing | 1.35Å | 1.35Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| CL16 | C19 | sing | 1.74Å | 1.72Å | |
| C17 | C29 | doub | 1.37Å | 1.40Å | Aromatic |
| C17 | C41 | sing | 1.42Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.37Å | 1.40Å | Aromatic |
| C19 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C42 | sing | 1.42Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C22 | C25 | sing | 1.50Å | 1.49Å | |
| C22 | C42 | sing | 1.51Å | 1.51Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C25 | C41 | sing | 1.51Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C28 | C35 | doub | 1.37Å | 1.40Å | Aromatic |
| C28 | BR38 | sing | 1.89Å | 1.90Å | |
| C28 | C40 | sing | 1.41Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | BR37 | sing | 1.89Å | 1.89Å | |
| C30 | N32 | doub | 1.31Å | 1.34Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| N32 | C39 | sing | 1.35Å | 1.35Å | Aromatic |
| C33 | C39 | sing | 1.48Å | 1.51Å | |
| C33 | C40 | sing | 1.48Å | 1.49Å | |
| C33 | H33 | sing | 1.09Å | 1.11Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C39 | C41 | doub | 1.33Å | 1.43Å | Aromatic |
| C40 | C42 | doub | 1.33Å | 1.40Å | Aromatic |
| C43 | C46 | sing | 1.53Å | 1.53Å | |
| C43 | C49 | sing | 1.53Å | 1.53Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C46 | N54 | sing | 1.47Å | 1.46Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C49 | C51 | sing | 1.53Å | 1.53Å | |
| C49 | C61 | sing | 1.53Å | 1.53Å | |
| C49 | H49 | sing | 1.09Å | 1.11Å | |
| C51 | C58 | sing | 1.54Å | 1.50Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| N54 | C55 | sing | 1.35Å | 1.36Å | |
| N54 | C58 | sing | 1.47Å | 1.46Å | |
| C55 | N56 | sing | 1.35Å | 1.34Å | |
| C55 | O57 | doub | 1.22Å | 1.23Å | |
| N56 | H561 | sing | 0.97Å | 1.02Å | |
| N56 | H562 | sing | 0.97Å | 1.02Å | |
| C58 | H581 | sing | 1.09Å | 1.12Å | |
| C58 | H582 | sing | 1.09Å | 1.12Å | |
| C61 | C65 | sing | 1.51Å | 1.53Å | |
| C61 | H611 | sing | 1.09Å | 1.11Å | |
| C61 | H612 | sing | 1.09Å | 1.11Å | |
| O64 | C65 | doub | 1.21Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C1 | C13 | 112.0° | 108.8° |
| N12 | C1 | H11 | 111.3° | 109.6° |
| N12 | C1 | H12 | 111.3° | 109.6° |
| C1 | N12 | C9 | 117.3° | 118.8° |
| C1 | N12 | C65 | 122.2° | 120.6° |
| C13 | C1 | H11 | 111.3° | 109.6° |
| C13 | C1 | H12 | 111.3° | 109.6° |
| C1 | C13 | C4 | 112.9° | 109.3° |
| C1 | C13 | H131 | 110.9° | 109.5° |
| C1 | C13 | H132 | 110.9° | 109.5° |
| H11 | C1 | H12 | 99.1° | 109.7° |
| C6 | C4 | C13 | 109.2° | 109.5° |
| C6 | C4 | C33 | 112.9° | 109.4° |
| C6 | C4 | H4 | 107.6° | 109.5° |
| C4 | C6 | C9 | 112.1° | 109.2° |
| C4 | C6 | H61 | 111.3° | 109.5° |
| C4 | C6 | H62 | 111.3° | 109.5° |
| C13 | C4 | C33 | 110.3° | 109.4° |
| C13 | C4 | H4 | 110.3° | 109.6° |
| C4 | C13 | H131 | 111.0° | 109.5° |
| C4 | C13 | H132 | 110.9° | 109.5° |
| C33 | C4 | H4 | 106.4° | 109.4° |
| C4 | C33 | C39 | 108.8° | 106.3° |
| C4 | C33 | C40 | 112.0° | 106.3° |
| C4 | C33 | H33 | 111.3° | 105.5° |
| C9 | C6 | H61 | 111.3° | 109.4° |
| C9 | C6 | H62 | 111.3° | 109.7° |
| C6 | C9 | N12 | 111.1° | 108.5° |
| C6 | C9 | H91 | 111.6° | 109.6° |
| C6 | C9 | H92 | 111.6° | 109.5° |
| H61 | C6 | H62 | 99.1° | 109.5° |
| N12 | C9 | H91 | 111.6° | 109.9° |
| N12 | C9 | H92 | 111.6° | 109.6° |
| C9 | N12 | C65 | 120.5° | 120.6° |
| H91 | C9 | H92 | 98.7° | 109.7° |
| N12 | C65 | C61 | 115.2° | 120.0° |
| N12 | C65 | O64 | 124.2° | 120.0° |
| H131 | C13 | H132 | 99.4° | 109.6° |
| CL16 | C19 | C20 | 120.9° | 120.5° |
| CL16 | C19 | C35 | 118.9° | 120.5° |
| C29 | C17 | C41 | 120.9° | 120.3° |
| C29 | C17 | H17 | 119.5° | 119.9° |
| C17 | C29 | C30 | 118.7° | 118.2° |
| C17 | C29 | BR37 | 119.7° | 120.9° |
| C41 | C17 | H17 | 119.6° | 119.8° |
| C17 | C41 | C25 | 115.4° | 109.6° |
| C17 | C41 | C39 | 117.4° | 118.1° |
| C20 | C19 | C35 | 120.3° | 119.0° |
| C19 | C20 | C42 | 119.5° | 122.1° |
| C19 | C20 | H20 | 120.4° | 119.0° |
| C19 | C35 | C28 | 120.4° | 118.7° |
| C19 | C35 | H35 | 119.7° | 120.7° |
| C42 | C20 | H20 | 120.1° | 118.9° |
| C20 | C42 | C22 | 120.1° | 109.5° |
| C20 | C42 | C40 | 120.5° | 118.6° |
| C25 | C22 | C42 | 110.1° | 114.8° |
| C25 | C22 | H221 | 112.0° | 108.4° |
| C25 | C22 | H222 | 112.0° | 108.4° |
| C22 | C25 | C41 | 114.7° | 114.7° |
| C22 | C25 | H251 | 110.3° | 108.5° |
| C22 | C25 | H252 | 110.3° | 108.5° |
| C42 | C22 | H221 | 112.0° | 108.4° |
| C42 | C22 | H222 | 112.0° | 108.4° |
| C22 | C42 | C40 | 119.4° | 131.9° |
| H221 | C22 | H222 | 98.4° | 108.2° |
| C41 | C25 | H251 | 110.3° | 108.4° |
| C41 | C25 | H252 | 110.3° | 108.4° |
| C25 | C41 | C39 | 127.2° | 132.2° |
| H251 | C25 | H252 | 100.0° | 108.2° |
| C35 | C28 | BR38 | 118.9° | 119.1° |
| C35 | C28 | C40 | 119.7° | 121.8° |
| C28 | C35 | H35 | 119.9° | 120.7° |
| BR38 | C28 | C40 | 121.4° | 119.1° |
| C28 | C40 | C33 | 119.7° | 112.2° |
| C28 | C40 | C42 | 119.6° | 119.7° |
| C30 | C29 | BR37 | 121.6° | 120.9° |
| C29 | C30 | N32 | 120.4° | 119.4° |
| C29 | C30 | H30 | 122.2° | 120.3° |
| N32 | C30 | H30 | 117.3° | 120.3° |
| C30 | N32 | C39 | 122.5° | 123.6° |
| N32 | C39 | C33 | 114.5° | 112.0° |
| N32 | C39 | C41 | 120.1° | 120.3° |
| C39 | C33 | C40 | 117.0° | 124.8° |
| C39 | C33 | H33 | 105.6° | 106.3° |
| C33 | C39 | C41 | 125.5° | 127.7° |
| C40 | C33 | H33 | 101.9° | 106.2° |
| C33 | C40 | C42 | 120.7° | 128.0° |
| C46 | C43 | C49 | 112.0° | 109.3° |
| C46 | C43 | H431 | 111.2° | 109.5° |
| C46 | C43 | H432 | 111.3° | 109.5° |
| C43 | C46 | N54 | 109.9° | 108.8° |
| C43 | C46 | H461 | 112.0° | 109.5° |
| C43 | C46 | H462 | 112.0° | 109.6° |
| C49 | C43 | H431 | 111.3° | 109.5° |
| C49 | C43 | H432 | 111.3° | 109.5° |
| C43 | C49 | C51 | 112.4° | 109.5° |
| C43 | C49 | C61 | 113.8° | 109.4° |
| C43 | C49 | H49 | 104.6° | 109.4° |
| H431 | C43 | H432 | 99.1° | 109.5° |
| N54 | C46 | H461 | 112.0° | 109.6° |
| N54 | C46 | H462 | 112.0° | 109.6° |
| C46 | N54 | C55 | 122.4° | 120.6° |
| C46 | N54 | C58 | 116.1° | 118.7° |
| H461 | C46 | H462 | 98.3° | 109.8° |
| C51 | C49 | C61 | 110.5° | 109.5° |
| C51 | C49 | H49 | 108.3° | 109.5° |
| C49 | C51 | C58 | 112.2° | 109.2° |
| C49 | C51 | H511 | 111.2° | 109.6° |
| C49 | C51 | H512 | 111.2° | 109.4° |
| C61 | C49 | H49 | 106.8° | 109.5° |
| C49 | C61 | C65 | 111.9° | 109.5° |
| C49 | C61 | H611 | 111.3° | 109.5° |
| C49 | C61 | H612 | 111.3° | 109.5° |
| C58 | C51 | H511 | 111.2° | 109.6° |
| C58 | C51 | H512 | 111.2° | 109.4° |
| C51 | C58 | N54 | 109.8° | 108.5° |
| C51 | C58 | H581 | 112.1° | 109.6° |
| C51 | C58 | H582 | 112.1° | 109.6° |
| H511 | C51 | H512 | 99.1° | 109.6° |
| C55 | N54 | C58 | 121.5° | 120.7° |
| N54 | C55 | N56 | 111.0° | 120.0° |
| N54 | C55 | O57 | 126.0° | 120.0° |
| N54 | C58 | H581 | 112.1° | 109.9° |
| N54 | C58 | H582 | 112.1° | 109.5° |
| N56 | C55 | O57 | 123.0° | 120.0° |
| C55 | N56 | H561 | 111.0° | 120.0° |
| C55 | N56 | H562 | 123.0° | 120.0° |
| H561 | N56 | H562 | 126.0° | 120.0° |
| H581 | C58 | H582 | 98.3° | 109.7° |
| C65 | C61 | H611 | 111.3° | 109.4° |
| C65 | C61 | H612 | 111.3° | 109.5° |
| C61 | C65 | O64 | 120.6° | 120.0° |
| H611 | C61 | H612 | 99.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C1 | C13 | H11 | 125.3° | 119.8° |
| N12 | C1 | C13 | H12 | 125.3° | 119.8° |
| N12 | C1 | H11 | H12 | 117.2° | 120.4° |
| N12 | C1 | C13 | C4 | 48.4° | 54.7° |
| C1 | N12 | C9 | C6 | 49.9° | 54.0° |
| C1 | N12 | C9 | C65 | 179.9° | 179.7° |
| C1 | N12 | C9 | H91 | 75.4° | 65.9° |
| C1 | N12 | C9 | H92 | 175.2° | 173.5° |
| N12 | C1 | C13 | H131 | 173.7° | 65.3° |
| N12 | C1 | C13 | H132 | 76.8° | 174.6° |
| C1 | N12 | C65 | C61 | 0.0° | 180.0° |
| C1 | N12 | C65 | O64 | 179.9° | 0.0° |
| C13 | C1 | H11 | H12 | 117.2° | 120.3° |
| C1 | C13 | C4 | C6 | 53.7° | 61.4° |
| C1 | C13 | C4 | H131 | 125.3° | 119.9° |
| C1 | C13 | C4 | H132 | 125.3° | 119.9° |
| C1 | C13 | C4 | C33 | 178.3° | 178.6° |
| C1 | C13 | C4 | H4 | 64.4° | 58.6° |
| C13 | C1 | N12 | C9 | 47.0° | 53.9° |
| C13 | C1 | N12 | C65 | 133.1° | 126.4° |
| C1 | C13 | H131 | H132 | 116.8° | 120.1° |
| H11 | C1 | C13 | C4 | 76.8° | 65.1° |
| H11 | C1 | N12 | C9 | 78.3° | 65.9° |
| H11 | C1 | N12 | C65 | 101.7° | 113.8° |
| H11 | C1 | C13 | H131 | 48.4° | 174.9° |
| H11 | C1 | C13 | H132 | 157.9° | 54.8° |
| H12 | C1 | C13 | C4 | 173.7° | 174.5° |
| H12 | C1 | N12 | C9 | 172.2° | 173.7° |
| H12 | C1 | N12 | C65 | 7.8° | 6.6° |
| H12 | C1 | C13 | H131 | 61.0° | 54.5° |
| H12 | C1 | C13 | H132 | 48.4° | 65.6° |
| C6 | C4 | C13 | C33 | 124.6° | 120.0° |
| C6 | C4 | C13 | H4 | 118.1° | 120.1° |
| C6 | C4 | C33 | H4 | 117.9° | 119.9° |
| C4 | C6 | C9 | H61 | 125.3° | 119.8° |
| C4 | C6 | C9 | H62 | 125.3° | 120.0° |
| C4 | C6 | H61 | H62 | 117.1° | 120.1° |
| C4 | C6 | C9 | N12 | 54.2° | 54.9° |
| C4 | C6 | C9 | H91 | 71.0° | 65.1° |
| C4 | C6 | C9 | H92 | 179.5° | 174.5° |
| C6 | C4 | C13 | H131 | 179.0° | 58.5° |
| C6 | C4 | C13 | H132 | 71.5° | 178.7° |
| C6 | C4 | C33 | C39 | 160.9° | 75.4° |
| C6 | C4 | C33 | C40 | 30.0° | 149.7° |
| C6 | C4 | C33 | H33 | 83.3° | 37.2° |
| C13 | C4 | C33 | H4 | 119.7° | 120.1° |
| C13 | C4 | C6 | C9 | 56.8° | 61.6° |
| C13 | C4 | C6 | H61 | 177.9° | 178.7° |
| C13 | C4 | C6 | H62 | 68.5° | 58.6° |
| C4 | C13 | H131 | H132 | 116.8° | 120.1° |
| C13 | C4 | C33 | C39 | 76.7° | 44.6° |
| C13 | C4 | C33 | C40 | 152.5° | 90.3° |
| C13 | C4 | C33 | H33 | 39.2° | 157.2° |
| C33 | C4 | C6 | C9 | 179.9° | 178.5° |
| C33 | C4 | C6 | H61 | 54.8° | 58.7° |
| C33 | C4 | C6 | H62 | 54.6° | 61.4° |
| C33 | C4 | C13 | H131 | 56.4° | 61.4° |
| C33 | C4 | C13 | H132 | 53.1° | 58.7° |
| C4 | C33 | C40 | C28 | 112.9° | 63.6° |
| C4 | C33 | C39 | N32 | 92.8° | 51.0° |
| C4 | C33 | C39 | C40 | 128.1° | 124.1° |
| C4 | C33 | C39 | H33 | 119.5° | 112.1° |
| C4 | C33 | C40 | H33 | 119.0° | 112.0° |
| C4 | C33 | C39 | C41 | 86.1° | 128.7° |
| C4 | C33 | C40 | C42 | 66.6° | 119.3° |
| H4 | C4 | C6 | C9 | 63.0° | 58.6° |
| H4 | C4 | C6 | H61 | 62.3° | 61.2° |
| H4 | C4 | C6 | H62 | 171.7° | 178.7° |
| H4 | C4 | C13 | H131 | 60.9° | 178.6° |
| H4 | C4 | C13 | H132 | 170.4° | 61.3° |
| H4 | C4 | C33 | C39 | 43.0° | 164.7° |
| H4 | C4 | C33 | C40 | 87.8° | 29.8° |
| H4 | C4 | C33 | H33 | 158.9° | 82.7° |
| C9 | C6 | H61 | H62 | 117.1° | 120.3° |
| C6 | C9 | N12 | H91 | 125.3° | 119.8° |
| C6 | C9 | N12 | H92 | 125.3° | 119.5° |
| C6 | C9 | H91 | H92 | 117.5° | 120.3° |
| C6 | C9 | N12 | C65 | 130.2° | 126.3° |
| H61 | C6 | C9 | N12 | 179.5° | 174.7° |
| H61 | C6 | C9 | H91 | 54.2° | 54.7° |
| H61 | C6 | C9 | H92 | 55.2° | 65.7° |
| H62 | C6 | C9 | N12 | 71.0° | 65.1° |
| H62 | C6 | C9 | H91 | 163.7° | 174.9° |
| H62 | C6 | C9 | H92 | 54.2° | 54.5° |
| N12 | C9 | H91 | H92 | 117.5° | 120.6° |
| C9 | N12 | C65 | C61 | 179.9° | 0.3° |
| C9 | N12 | C65 | O64 | 0.1° | 179.7° |
| H91 | C9 | N12 | C65 | 104.5° | 113.8° |
| H92 | C9 | N12 | C65 | 4.9° | 6.8° |
| N12 | C65 | C61 | C49 | 159.2° | 180.0° |
| N12 | C65 | C61 | O64 | 179.9° | 180.0° |
| N12 | C65 | C61 | H611 | 33.9° | 60.0° |
| N12 | C65 | C61 | H612 | 75.6° | 60.0° |
| CL16 | C19 | C20 | C35 | 180.0° | 180.0° |
| CL16 | C19 | C20 | C42 | 179.8° | 179.8° |
| CL16 | C19 | C20 | H20 | 0.2° | 0.3° |
| CL16 | C19 | C35 | C28 | 179.7° | 178.0° |
| CL16 | C19 | C35 | H35 | 0.3° | 2.0° |
| C29 | C17 | C41 | H17 | 180.0° | 179.9° |
| C29 | C17 | C41 | C25 | 179.7° | 173.6° |
| C17 | C29 | C30 | BR37 | 179.9° | 179.9° |
| C17 | C29 | C30 | N32 | 0.0° | 1.8° |
| C17 | C29 | C30 | H30 | 180.0° | 178.2° |
| C29 | C17 | C41 | C39 | 0.4° | 3.3° |
| C17 | C41 | C25 | C22 | 162.4° | 137.5° |
| C17 | C41 | C25 | C39 | 179.2° | 176.2° |
| C17 | C41 | C25 | H251 | 72.3° | 101.1° |
| C17 | C41 | C25 | H252 | 37.1° | 16.1° |
| C41 | C17 | C29 | C30 | 0.1° | 0.1° |
| C41 | C17 | C29 | BR37 | 179.8° | 179.9° |
| C17 | C41 | C39 | N32 | 0.7° | 4.7° |
| C17 | C41 | C39 | C33 | 179.6° | 174.9° |
| H17 | C17 | C41 | C25 | 0.3° | 6.5° |
| H17 | C17 | C29 | C30 | 179.9° | 179.9° |
| H17 | C17 | C29 | BR37 | 0.2° | 0.2° |
| H17 | C17 | C41 | C39 | 179.6° | 176.6° |
| C19 | C20 | C42 | H20 | 180.0° | 179.9° |
| C19 | C20 | C42 | C22 | 179.6° | 176.0° |
| C20 | C19 | C35 | C28 | 0.3° | 2.0° |
| C20 | C19 | C35 | H35 | 179.8° | 178.0° |
| C19 | C20 | C42 | C40 | 0.1° | 2.7° |
| C35 | C19 | C20 | C42 | 0.2° | 0.2° |
| C35 | C19 | C20 | H20 | 179.9° | 179.7° |
| C19 | C35 | C28 | H35 | 180.0° | 180.0° |
| C19 | C35 | C28 | BR38 | 179.8° | 179.1° |
| C19 | C35 | C28 | C40 | 0.4° | 0.9° |
| C20 | C42 | C22 | C25 | 104.4° | 135.8° |
| C20 | C42 | C22 | C40 | 179.7° | 178.5° |
| C20 | C42 | C22 | H221 | 130.4° | 102.7° |
| C20 | C42 | C22 | H222 | 20.9° | 14.5° |
| C20 | C42 | C40 | C28 | 0.2° | 3.8° |
| C20 | C42 | C40 | C33 | 179.8° | 173.1° |
| H20 | C20 | C42 | C22 | 0.4° | 3.9° |
| H20 | C20 | C42 | C40 | 179.9° | 177.3° |
| C25 | C22 | C42 | H221 | 125.3° | 121.4° |
| C25 | C22 | C42 | H222 | 125.3° | 121.4° |
| C25 | C22 | H221 | H222 | 117.9° | 117.3° |
| C22 | C25 | C41 | H251 | 125.3° | 121.4° |
| C22 | C25 | C41 | H252 | 125.2° | 121.4° |
| C22 | C25 | H251 | H252 | 116.1° | 117.5° |
| C22 | C25 | C41 | C39 | 18.4° | 46.3° |
| C25 | C22 | C42 | C40 | 75.9° | 45.6° |
| C42 | C22 | H221 | H222 | 117.9° | 117.4° |
| C42 | C22 | C25 | C41 | 72.8° | 61.7° |
| C42 | C22 | C25 | H251 | 52.5° | 59.7° |
| C42 | C22 | C25 | H252 | 161.9° | 177.0° |
| C22 | C42 | C40 | C28 | 179.5° | 174.7° |
| C22 | C42 | C40 | C33 | 0.0° | 8.4° |
| H221 | C22 | C25 | C41 | 52.4° | 59.7° |
| H221 | C22 | C25 | H251 | 177.7° | 178.9° |
| H221 | C22 | C25 | H252 | 72.8° | 61.6° |
| H221 | C22 | C42 | C40 | 49.4° | 75.8° |
| H222 | C22 | C25 | C41 | 161.9° | 176.9° |
| H222 | C22 | C25 | H251 | 72.8° | 61.7° |
| H222 | C22 | C25 | H252 | 36.6° | 55.6° |
| H222 | C22 | C42 | C40 | 158.8° | 167.0° |
| C41 | C25 | H251 | H252 | 116.1° | 117.4° |
| C25 | C41 | C39 | N32 | 179.8° | 171.3° |
| C25 | C41 | C39 | C33 | 1.3° | 9.1° |
| H251 | C25 | C41 | C39 | 106.8° | 75.1° |
| H252 | C25 | C41 | C39 | 143.7° | 167.7° |
| C35 | C28 | BR38 | C40 | 179.8° | 180.0° |
| C35 | C28 | C40 | C33 | 179.9° | 175.3° |
| C35 | C28 | C40 | C42 | 0.4° | 2.0° |
| BR38 | C28 | C40 | C33 | 0.3° | 4.7° |
| BR38 | C28 | C35 | H35 | 0.2° | 1.0° |
| BR38 | C28 | C40 | C42 | 179.8° | 178.0° |
| C28 | C40 | C33 | C39 | 120.5° | 172.3° |
| C28 | C40 | C33 | C42 | 179.5° | 177.1° |
| C28 | C40 | C33 | H33 | 6.1° | 48.4° |
| C40 | C28 | C35 | H35 | 179.6° | 179.0° |
| C29 | C30 | N32 | H30 | 180.0° | 180.0° |
| C29 | C30 | N32 | C39 | 0.2° | 0.4° |
| BR37 | C29 | C30 | N32 | 179.9° | 178.3° |
| BR37 | C29 | C30 | H30 | 0.1° | 1.7° |
| C30 | N32 | C39 | C33 | 179.6° | 176.7° |
| C30 | N32 | C39 | C41 | 0.6° | 3.0° |
| H30 | C30 | N32 | C39 | 179.8° | 179.6° |
| N32 | C39 | C33 | C41 | 179.0° | 179.6° |
| N32 | C39 | C33 | C40 | 139.1° | 175.1° |
| N32 | C39 | C33 | H33 | 26.7° | 61.1° |
| C39 | C33 | C40 | H33 | 114.5° | 123.9° |
| C39 | C33 | C40 | C42 | 59.9° | 4.7° |
| C40 | C33 | C39 | C41 | 42.0° | 4.6° |
| H33 | C33 | C39 | C41 | 154.4° | 119.3° |
| H33 | C33 | C40 | C42 | 174.4° | 128.6° |
| C46 | C43 | C49 | H431 | 125.2° | 119.9° |
| C46 | C43 | C49 | H432 | 125.3° | 120.0° |
| C46 | C43 | H431 | H432 | 117.1° | 120.1° |
| C43 | C46 | N54 | H461 | 125.3° | 119.7° |
| C43 | C46 | N54 | H462 | 125.3° | 119.8° |
| C43 | C46 | H461 | H462 | 118.0° | 120.3° |
| C46 | C43 | C49 | C51 | 48.7° | 61.4° |
| C46 | C43 | C49 | C61 | 175.2° | 178.6° |
| C46 | C43 | C49 | H49 | 68.6° | 58.7° |
| C43 | C46 | N54 | C55 | 123.0° | 126.4° |
| C43 | C46 | N54 | C58 | 56.4° | 53.9° |
| C49 | C43 | H431 | H432 | 117.2° | 120.1° |
| C49 | C43 | C46 | N54 | 49.8° | 54.7° |
| C49 | C43 | C46 | H461 | 75.5° | 174.4° |
| C49 | C43 | C46 | H462 | 175.1° | 65.2° |
| C43 | C49 | C51 | C61 | 128.3° | 120.0° |
| C43 | C49 | C51 | H49 | 115.0° | 120.0° |
| C43 | C49 | C61 | H49 | 114.9° | 119.9° |
| C43 | C49 | C51 | C58 | 50.7° | 61.5° |
| C43 | C49 | C51 | H511 | 74.6° | 58.5° |
| C43 | C49 | C51 | H512 | 176.0° | 178.7° |
| C43 | C49 | C61 | C65 | 160.0° | 180.0° |
| C43 | C49 | C61 | H611 | 74.7° | 60.0° |
| C43 | C49 | C61 | H612 | 34.8° | 60.0° |
| H431 | C43 | C46 | N54 | 75.4° | 65.2° |
| H431 | C43 | C46 | H461 | 159.3° | 54.5° |
| H431 | C43 | C46 | H462 | 49.8° | 174.9° |
| H431 | C43 | C49 | C51 | 76.5° | 58.5° |
| H431 | C43 | C49 | C61 | 50.0° | 61.4° |
| H431 | C43 | C49 | H49 | 166.2° | 178.6° |
| H432 | C43 | C46 | N54 | 175.1° | 174.6° |
| H432 | C43 | C46 | H461 | 49.8° | 65.6° |
| H432 | C43 | C46 | H462 | 59.6° | 54.8° |
| H432 | C43 | C49 | C51 | 174.0° | 178.6° |
| H432 | C43 | C49 | C61 | 59.5° | 58.6° |
| H432 | C43 | C49 | H49 | 56.7° | 61.3° |
| N54 | C46 | H461 | H462 | 117.9° | 120.4° |
| C46 | N54 | C58 | C51 | 58.3° | 54.0° |
| C46 | N54 | C55 | C58 | 179.3° | 179.6° |
| C46 | N54 | C55 | N56 | 179.6° | 5.5° |
| C46 | N54 | C55 | O57 | 0.5° | 174.5° |
| C46 | N54 | C58 | H581 | 176.5° | 65.8° |
| C46 | N54 | C58 | H582 | 67.0° | 173.6° |
| H461 | C46 | N54 | C55 | 111.7° | 6.7° |
| H461 | C46 | N54 | C58 | 68.9° | 173.6° |
| H462 | C46 | N54 | C55 | 2.3° | 113.8° |
| H462 | C46 | N54 | C58 | 178.3° | 65.9° |
| C51 | C49 | C61 | H49 | 117.6° | 120.1° |
| C49 | C51 | C58 | H511 | 125.3° | 120.0° |
| C49 | C51 | C58 | H512 | 125.3° | 119.8° |
| C49 | C51 | H511 | H512 | 117.1° | 120.1° |
| C49 | C51 | C58 | N54 | 53.3° | 54.9° |
| C49 | C51 | C58 | H581 | 178.6° | 65.1° |
| C49 | C51 | C58 | H582 | 72.0° | 174.5° |
| C51 | C49 | C61 | C65 | 72.4° | 60.0° |
| C51 | C49 | C61 | H611 | 52.8° | 180.0° |
| C51 | C49 | C61 | H612 | 162.4° | 60.0° |
| C61 | C49 | C51 | C58 | 179.0° | 178.5° |
| C61 | C49 | C51 | H511 | 53.7° | 61.4° |
| C61 | C49 | C51 | H512 | 55.7° | 58.7° |
| C49 | C61 | C65 | H611 | 125.3° | 120.0° |
| C49 | C61 | C65 | H612 | 125.3° | 120.0° |
| C49 | C61 | H611 | H612 | 117.2° | 120.0° |
| C49 | C61 | C65 | O64 | 20.9° | 0.0° |
| H49 | C49 | C51 | C58 | 64.3° | 58.5° |
| H49 | C49 | C51 | H511 | 170.4° | 178.5° |
| H49 | C49 | C51 | H512 | 61.0° | 61.3° |
| H49 | C49 | C61 | C65 | 45.2° | 60.1° |
| H49 | C49 | C61 | H611 | 170.4° | 59.9° |
| H49 | C49 | C61 | H612 | 80.1° | 179.9° |
| C58 | C51 | H511 | H512 | 117.1° | 120.1° |
| C51 | C58 | N54 | C55 | 121.1° | 126.4° |
| C51 | C58 | N54 | H581 | 125.2° | 119.8° |
| C51 | C58 | N54 | H582 | 125.3° | 119.6° |
| C51 | C58 | H581 | H582 | 118.0° | 120.3° |
| H511 | C51 | C58 | N54 | 71.9° | 65.1° |
| H511 | C51 | C58 | H581 | 53.3° | 174.9° |
| H511 | C51 | C58 | H582 | 162.8° | 54.4° |
| H512 | C51 | C58 | N54 | 178.6° | 174.7° |
| H512 | C51 | C58 | H581 | 56.1° | 54.7° |
| H512 | C51 | C58 | H582 | 53.3° | 65.8° |
| N54 | C55 | N56 | O57 | 179.9° | 180.0° |
| N54 | C55 | N56 | H561 | 180.0° | 173.9° |
| N54 | C55 | N56 | H562 | 0.1° | 6.3° |
| C55 | N54 | C58 | H581 | 4.1° | 113.8° |
| C55 | N54 | C58 | H582 | 113.6° | 6.8° |
| C58 | N54 | C55 | N56 | 0.2° | 174.9° |
| C58 | N54 | C55 | O57 | 179.9° | 5.2° |
| N54 | C58 | H581 | H582 | 118.0° | 120.5° |
| C55 | N56 | H561 | H562 | 179.9° | 179.8° |
| O57 | C55 | N56 | H561 | 0.1° | 6.2° |
| O57 | C55 | N56 | H562 | 180.0° | 173.6° |
| C65 | C61 | H611 | H612 | 117.2° | 120.0° |
| H611 | C61 | C65 | O64 | 146.1° | 120.0° |
| H612 | C61 | C65 | O64 | 104.4° | 120.0° |
