HI1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.51Å | 1.55Å | |
| C40 | C14 | sing | 1.54Å | 1.55Å | |
| C23 | C24 | sing | 1.38Å | 1.44Å | |
| C14 | C1 | sing | 1.55Å | 1.55Å | |
| C24 | C25 | doub | 1.40Å | 1.43Å | |
| C25 | C26 | sing | 1.39Å | 1.43Å | |
| C26 | C27 | doub | 1.39Å | 1.44Å | |
| C23 | C28 | doub | 1.38Å | 1.44Å | |
| C27 | C28 | sing | 1.39Å | 1.43Å | |
| C32 | C33 | sing | 1.50Å | 1.54Å | |
| C33 | C34 | sing | 1.39Å | 1.43Å | |
| C34 | C35 | doub | 1.39Å | 1.42Å | |
| C35 | C36 | sing | 1.40Å | 1.43Å | |
| C36 | C37 | doub | 1.39Å | 1.44Å | |
| C33 | C38 | doub | 1.39Å | 1.43Å | |
| C37 | C38 | sing | 1.39Å | 1.44Å | |
| N24 | C32 | sing | 1.46Å | 1.45Å | |
| C40 | C4 | sing | 1.53Å | 1.53Å | |
| C30 | O3 | doub | 1.23Å | 1.23Å | |
| C30 | N1 | sing | 1.38Å | 1.33Å | |
| C1 | C22 | sing | 1.55Å | 1.57Å | |
| C1 | O6 | sing | 1.43Å | 1.42Å | |
| C7 | O8 | sing | 1.43Å | 1.44Å | |
| C1 | C10 | sing | 1.54Å | 1.55Å | |
| N12 | C10 | sing | 1.39Å | 1.36Å | |
| C10 | O11 | doub | 1.23Å | 1.24Å | |
| N12 | C51 | sing | 1.44Å | 1.50Å | |
| C51 | C52 | sing | 1.50Å | 1.49Å | |
| C52 | C57 | doub | 1.40Å | 1.43Å | |
| C56 | C57 | sing | 1.39Å | 1.44Å | |
| C52 | C53 | sing | 1.39Å | 1.45Å | |
| C53 | C54 | doub | 1.40Å | 1.46Å | |
| C54 | C55 | sing | 1.40Å | 1.46Å | |
| C51 | C59 | sing | 1.54Å | 1.54Å | |
| C58 | C59 | sing | 1.54Å | 1.55Å | |
| C59 | O60 | sing | 1.43Å | 1.44Å | |
| O8 | C30 | sing | 1.37Å | 1.41Å | |
| C55 | C56 | doub | 1.40Å | 1.46Å | |
| C57 | C58 | sing | 1.50Å | 1.53Å | |
| C42 | C41 | sing | 1.56Å | 1.57Å | |
| N1 | C41 | sing | 1.44Å | 1.47Å | |
| C42 | C43 | sing | 1.54Å | 1.53Å | |
| C45 | O46 | doub | 1.23Å | 1.24Å | |
| N24 | N47 | sing | 1.39Å | 1.52Å | |
| C45 | N47 | sing | 1.39Å | 1.34Å | |
| C36 | BR | sing | 1.89Å | 1.84Å | |
| C42 | C86 | sing | 1.54Å | 1.52Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C4 | H4C1 | sing | 1.10Å | 1.10Å | |
| C4 | H4C2 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| N12 | H12 | sing | 1.01Å | 1.00Å | |
| C51 | H51 | sing | 1.10Å | 1.10Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| N47 | H47 | sing | 1.02Å | 1.00Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.08Å | |
| C54 | H54 | sing | 1.09Å | 1.08Å | |
| C55 | H55 | sing | 1.09Å | 1.08Å | |
| C56 | H56 | sing | 1.09Å | 1.08Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| O60 | H60 | sing | 0.97Å | 0.95Å | |
| C34 | H34 | sing | 1.09Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.08Å | |
| C35 | H35 | sing | 1.09Å | 1.08Å | |
| C37 | H37 | sing | 1.09Å | 1.08Å | |
| C41 | H41 | sing | 1.10Å | 1.10Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C43 | H433 | sing | 1.10Å | 1.10Å | |
| C44 | H441 | sing | 1.10Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.10Å | 1.10Å | |
| C86 | H861 | sing | 1.10Å | 1.10Å | |
| C86 | H862 | sing | 1.10Å | 1.10Å | |
| C86 | H863 | sing | 1.09Å | 1.10Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C7 | H7C3 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 1.02Å | 1.00Å | |
| C42 | C44 | sing | 1.54Å | 1.52Å | |
| C41 | C45 | sing | 1.53Å | 1.52Å | |
| C4 | N24 | sing | 1.46Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 122.0° | 119.2° |
| C22 | C23 | C28 | 118.5° | 119.2° |
| C23 | C22 | C1 | 113.7° | 114.9° |
| C23 | C22 | H221 | 108.1° | 107.3° |
| C23 | C22 | H222 | 107.2° | 108.6° |
| C40 | C14 | C1 | 115.5° | 114.7° |
| C14 | C40 | C4 | 113.6° | 110.9° |
| C14 | C40 | H401 | 108.2° | 110.0° |
| C14 | C40 | H402 | 107.2° | 109.9° |
| C40 | C14 | H141 | 107.5° | 107.5° |
| C40 | C14 | H142 | 106.1° | 108.9° |
| C23 | C24 | C25 | 120.4° | 119.2° |
| C24 | C23 | C28 | 119.5° | 121.6° |
| C23 | C24 | H24 | 119.8° | 121.3° |
| C14 | C1 | C22 | 110.2° | 109.1° |
| C14 | C1 | O6 | 103.5° | 108.4° |
| C14 | C1 | C10 | 116.7° | 112.0° |
| C1 | C14 | H141 | 107.5° | 108.6° |
| C1 | C14 | H142 | 106.1° | 110.2° |
| C24 | C25 | C26 | 119.8° | 120.0° |
| C25 | C24 | H24 | 119.8° | 119.5° |
| C24 | C25 | H25 | 120.1° | 119.9° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C26 | C25 | H25 | 120.1° | 120.0° |
| C25 | C26 | H26 | 119.9° | 120.0° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C27 | C26 | H26 | 119.9° | 120.0° |
| C26 | C27 | H27 | 120.0° | 120.0° |
| C23 | C28 | C27 | 119.9° | 119.2° |
| C23 | C28 | H28 | 120.0° | 121.3° |
| C27 | C28 | H28 | 120.0° | 119.5° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C32 | C33 | C34 | 119.1° | 119.7° |
| C32 | C33 | C38 | 120.3° | 119.6° |
| C33 | C32 | N24 | 112.2° | 112.0° |
| C33 | C32 | H321 | 108.6° | 110.7° |
| C33 | C32 | H322 | 108.0° | 111.1° |
| C33 | C34 | C35 | 120.0° | 119.7° |
| C34 | C33 | C38 | 120.6° | 120.7° |
| C33 | C34 | H34 | 120.0° | 120.9° |
| C34 | C35 | C36 | 119.6° | 120.0° |
| C35 | C34 | H34 | 120.0° | 119.5° |
| C34 | C35 | H35 | 120.2° | 119.1° |
| C35 | C36 | C37 | 121.0° | 120.0° |
| C35 | C36 | BR | 118.0° | 120.0° |
| C36 | C35 | H35 | 120.2° | 120.9° |
| C36 | C37 | C38 | 119.3° | 120.0° |
| C37 | C36 | BR | 121.0° | 120.0° |
| C36 | C37 | H37 | 120.4° | 120.9° |
| C33 | C38 | C37 | 119.4° | 119.6° |
| C33 | C38 | H38 | 120.3° | 120.8° |
| C37 | C38 | H38 | 120.3° | 119.6° |
| C38 | C37 | H37 | 120.4° | 119.1° |
| C32 | N24 | N47 | 107.2° | 109.9° |
| N24 | C32 | H321 | 108.6° | 107.9° |
| N24 | C32 | H322 | 108.0° | 107.8° |
| C32 | N24 | C4 | 110.5° | 110.8° |
| C4 | C40 | H401 | 108.1° | 109.4° |
| C4 | C40 | H402 | 107.2° | 109.3° |
| C40 | C4 | H4C1 | 109.3° | 110.2° |
| C40 | C4 | H4C2 | 109.2° | 110.3° |
| C40 | C4 | N24 | 110.0° | 110.3° |
| O3 | C30 | N1 | 127.8° | 125.8° |
| O3 | C30 | O8 | 123.5° | 124.5° |
| N1 | C30 | O8 | 108.7° | 109.7° |
| C30 | N1 | C41 | 124.6° | 123.7° |
| C30 | N1 | H1 | 117.7° | 118.2° |
| C22 | C1 | O6 | 107.4° | 107.4° |
| C22 | C1 | C10 | 107.4° | 111.7° |
| C1 | C22 | H221 | 108.1° | 109.4° |
| C1 | C22 | H222 | 107.1° | 110.5° |
| O6 | C1 | C10 | 111.3° | 108.1° |
| C1 | O6 | H6 | 109.5° | 106.5° |
| C7 | O8 | C30 | 118.4° | 115.9° |
| O8 | C7 | H7C1 | 109.5° | 109.5° |
| O8 | C7 | H7C2 | 109.5° | 109.5° |
| O8 | C7 | H7C3 | 109.5° | 109.0° |
| C1 | C10 | N12 | 115.0° | 114.0° |
| C1 | C10 | O11 | 121.7° | 121.7° |
| N12 | C10 | O11 | 123.3° | 124.3° |
| C10 | N12 | C51 | 122.1° | 122.6° |
| C10 | N12 | H12 | 119.0° | 119.8° |
| N12 | C51 | C52 | 114.5° | 114.6° |
| N12 | C51 | C59 | 105.7° | 113.5° |
| C51 | N12 | H12 | 119.0° | 117.6° |
| N12 | C51 | H51 | 107.7° | 108.2° |
| C51 | C52 | C57 | 106.8° | 110.3° |
| C51 | C52 | C53 | 131.1° | 128.9° |
| C52 | C51 | C59 | 106.4° | 101.3° |
| C52 | C51 | H51 | 107.1° | 108.6° |
| C52 | C57 | C56 | 121.1° | 121.2° |
| C57 | C52 | C53 | 122.1° | 120.7° |
| C52 | C57 | C58 | 110.3° | 111.2° |
| C57 | C56 | C55 | 118.0° | 118.3° |
| C56 | C57 | C58 | 128.6° | 127.6° |
| C57 | C56 | H56 | 121.0° | 121.1° |
| C52 | C53 | C54 | 117.7° | 118.5° |
| C52 | C53 | H53 | 121.1° | 121.2° |
| C53 | C54 | C55 | 120.1° | 120.7° |
| C54 | C53 | H53 | 121.1° | 120.3° |
| C53 | C54 | H54 | 120.0° | 119.7° |
| C54 | C55 | C56 | 121.1° | 120.6° |
| C55 | C54 | H54 | 119.9° | 119.6° |
| C54 | C55 | H55 | 119.5° | 119.7° |
| C51 | C59 | C58 | 101.3° | 106.3° |
| C51 | C59 | O60 | 112.6° | 110.3° |
| C59 | C51 | H51 | 115.7° | 110.4° |
| C51 | C59 | H59 | 111.7° | 112.4° |
| C58 | C59 | O60 | 106.2° | 108.7° |
| C59 | C58 | C57 | 102.8° | 101.1° |
| C58 | C59 | H59 | 117.6° | 112.3° |
| C59 | C58 | H581 | 111.8° | 111.3° |
| C59 | C58 | H582 | 113.2° | 112.4° |
| O60 | C59 | H59 | 107.3° | 106.9° |
| C59 | O60 | H60 | 109.5° | 106.3° |
| C56 | C55 | H55 | 119.5° | 119.7° |
| C55 | C56 | H56 | 121.0° | 120.5° |
| C57 | C58 | H581 | 111.8° | 109.3° |
| C57 | C58 | H582 | 113.2° | 111.6° |
| C42 | C41 | N1 | 112.9° | 112.9° |
| C41 | C42 | C43 | 109.3° | 109.5° |
| C41 | C42 | C86 | 111.4° | 112.3° |
| C42 | C41 | H41 | 92.7° | 109.6° |
| C41 | C42 | C44 | 113.0° | 110.5° |
| C42 | C41 | C45 | 124.6° | 114.3° |
| N1 | C41 | H41 | 122.4° | 105.5° |
| C41 | N1 | H1 | 117.7° | 118.1° |
| N1 | C41 | C45 | 96.6° | 105.4° |
| C43 | C42 | C86 | 106.9° | 108.4° |
| C42 | C43 | H431 | 109.5° | 111.7° |
| C42 | C43 | H432 | 109.5° | 111.2° |
| C42 | C43 | H433 | 109.4° | 111.1° |
| C43 | C42 | C44 | 105.4° | 107.6° |
| O46 | C45 | N47 | 122.7° | 124.9° |
| O46 | C45 | C41 | 120.1° | 122.7° |
| N24 | N47 | C45 | 122.5° | 119.0° |
| N24 | N47 | H47 | 118.7° | 118.5° |
| N47 | N24 | C4 | 107.2° | 109.9° |
| C45 | N47 | H47 | 118.8° | 122.6° |
| N47 | C45 | C41 | 117.2° | 112.3° |
| C42 | C86 | H861 | 109.5° | 110.9° |
| C42 | C86 | H862 | 109.5° | 111.7° |
| C42 | C86 | H863 | 109.5° | 111.6° |
| C86 | C42 | C44 | 110.5° | 108.5° |
| H401 | C40 | H402 | 112.7° | 107.3° |
| H141 | C14 | H142 | 114.3° | 106.7° |
| H4C1 | C4 | H4C2 | 109.9° | 107.8° |
| H4C1 | C4 | N24 | 109.3° | 108.9° |
| H4C2 | C4 | N24 | 109.2° | 109.3° |
| H221 | C22 | H222 | 112.8° | 105.6° |
| H321 | C32 | H322 | 111.6° | 107.3° |
| H581 | C58 | H582 | 104.4° | 110.8° |
| H41 | C41 | C45 | 110.0° | 108.7° |
| H431 | C43 | H432 | 109.5° | 107.2° |
| H431 | C43 | H433 | 109.5° | 108.0° |
| H432 | C43 | H433 | 109.5° | 107.5° |
| H441 | C44 | H442 | 109.4° | 108.1° |
| H441 | C44 | H443 | 109.4° | 107.5° |
| H441 | C44 | C42 | 109.5° | 111.2° |
| H442 | C44 | H443 | 109.5° | 107.0° |
| H442 | C44 | C42 | 109.5° | 111.8° |
| H443 | C44 | C42 | 109.5° | 111.1° |
| H861 | C86 | H862 | 109.5° | 107.3° |
| H861 | C86 | H863 | 109.4° | 107.2° |
| H862 | C86 | H863 | 109.5° | 108.0° |
| H7C1 | C7 | H7C2 | 109.5° | 110.0° |
| H7C1 | C7 | H7C3 | 109.4° | 109.4° |
| H7C2 | C7 | H7C3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | C28 | 178.3° | 180.0° |
| C23 | C22 | C1 | C14 | 176.3° | 175.7° |
| C22 | C23 | C24 | C25 | 178.5° | 180.0° |
| C22 | C23 | C28 | C27 | 178.5° | 180.0° |
| C23 | C22 | C1 | H221 | 120.0° | 120.8° |
| C23 | C22 | C1 | H222 | 118.2° | 123.3° |
| C23 | C22 | C1 | O6 | 71.6° | 58.4° |
| C23 | C22 | C1 | C10 | 48.2° | 60.0° |
| C23 | C22 | H221 | H222 | 118.3° | 115.8° |
| C22 | C23 | C24 | H24 | 1.5° | 0.0° |
| C22 | C23 | C28 | H28 | 1.5° | 0.0° |
| C40 | C14 | C1 | H141 | 120.0° | 120.2° |
| C40 | C14 | C1 | H142 | 117.3° | 123.3° |
| C14 | C40 | C4 | H401 | 120.0° | 121.5° |
| C14 | C40 | C4 | H402 | 118.2° | 121.3° |
| C40 | C14 | C1 | C22 | 157.3° | 176.1° |
| C40 | C14 | C1 | O6 | 88.1° | 59.4° |
| C40 | C14 | C1 | C10 | 34.5° | 59.7° |
| C14 | C40 | H401 | H402 | 118.3° | 119.6° |
| C40 | C14 | H141 | H142 | 117.5° | 116.7° |
| C14 | C40 | C4 | H4C1 | 28.6° | 60.0° |
| C14 | C40 | C4 | H4C2 | 148.8° | 58.8° |
| C14 | C40 | C4 | N24 | 91.4° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.4° | 0.0° |
| C24 | C23 | C28 | C27 | 0.2° | 0.0° |
| C24 | C23 | C22 | C1 | 67.2° | 90.0° |
| C24 | C23 | C22 | H221 | 172.8° | 148.0° |
| C24 | C23 | C22 | H222 | 51.0° | 34.3° |
| C24 | C23 | C28 | H28 | 179.9° | 180.0° |
| C23 | C24 | C25 | H25 | 179.6° | 180.0° |
| C1 | C14 | C40 | C4 | 163.5° | 179.2° |
| C14 | C1 | C22 | O6 | 112.1° | 117.3° |
| C14 | C1 | C22 | C10 | 128.1° | 124.3° |
| C14 | C1 | O6 | C10 | 126.1° | 121.6° |
| C14 | C1 | C10 | N12 | 132.8° | 62.6° |
| C14 | C1 | C10 | O11 | 49.3° | 117.4° |
| C1 | C14 | C40 | H401 | 43.5° | 58.0° |
| C1 | C14 | C40 | H402 | 78.3° | 59.9° |
| C1 | C14 | H141 | H142 | 117.5° | 118.7° |
| C14 | C1 | C22 | H221 | 56.3° | 54.9° |
| C14 | C1 | C22 | H222 | 65.5° | 60.9° |
| C14 | C1 | O6 | H6 | 44.3° | 43.1° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.5° | 0.0° |
| C25 | C24 | C23 | C28 | 0.2° | 0.0° |
| C24 | C25 | C26 | H26 | 179.4° | 180.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C26 | C25 | C24 | H24 | 179.6° | 180.0° |
| C25 | C26 | C27 | H27 | 179.5° | 180.0° |
| C26 | C27 | C28 | C23 | 0.3° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | H28 | 179.7° | 180.0° |
| C27 | C26 | C25 | H25 | 179.4° | 180.0° |
| C23 | C28 | C27 | H28 | 180.0° | 180.0° |
| C28 | C23 | C22 | C1 | 111.1° | 90.0° |
| C28 | C23 | C22 | H221 | 8.8° | 32.0° |
| C28 | C23 | C22 | H222 | 130.7° | 145.7° |
| C28 | C23 | C24 | H24 | 179.8° | 180.0° |
| C23 | C28 | C27 | H27 | 179.7° | 180.0° |
| C28 | C27 | C26 | H26 | 179.5° | 180.0° |
| C32 | C33 | C34 | C38 | 179.2° | 179.9° |
| C32 | C33 | C34 | C35 | 179.2° | 180.0° |
| C32 | C33 | C38 | C37 | 179.2° | 180.0° |
| C33 | C32 | N24 | H321 | 120.0° | 122.0° |
| C33 | C32 | N24 | H322 | 118.9° | 122.4° |
| C33 | C32 | N24 | N47 | 57.9° | 178.4° |
| C33 | C32 | H321 | H322 | 118.9° | 121.3° |
| C32 | C33 | C34 | H34 | 0.8° | 0.1° |
| C32 | C33 | C38 | H38 | 0.8° | 0.1° |
| C33 | C32 | N24 | C4 | 174.5° | 60.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.2° | 0.1° |
| C34 | C33 | C38 | C37 | 0.0° | 0.1° |
| C34 | C33 | C32 | N24 | 45.1° | 89.9° |
| C34 | C33 | C32 | H321 | 74.8° | 30.5° |
| C34 | C33 | C32 | H322 | 164.0° | 149.5° |
| C34 | C33 | C38 | H38 | 179.9° | 180.0° |
| C33 | C34 | C35 | H35 | 179.8° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.3° | 0.1° |
| C35 | C34 | C33 | C38 | 0.1° | 0.1° |
| C34 | C35 | C36 | BR | 179.7° | 180.0° |
| C35 | C36 | C37 | BR | 179.9° | 180.0° |
| C35 | C36 | C37 | C38 | 0.3° | 0.1° |
| C36 | C35 | C34 | H34 | 179.8° | 180.0° |
| C35 | C36 | C37 | H37 | 179.7° | 180.0° |
| C36 | C37 | C38 | C33 | 0.2° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | H38 | 179.8° | 180.0° |
| C37 | C36 | C35 | H35 | 179.7° | 180.0° |
| C33 | C38 | C37 | H38 | 180.0° | 179.9° |
| C38 | C33 | C32 | N24 | 134.0° | 90.0° |
| C38 | C33 | C32 | H321 | 106.0° | 149.6° |
| C38 | C33 | C32 | H322 | 15.2° | 30.6° |
| C38 | C33 | C34 | H34 | 179.9° | 180.0° |
| C33 | C38 | C37 | H37 | 179.8° | 180.0° |
| C38 | C37 | C36 | BR | 179.8° | 180.0° |
| C32 | N24 | C4 | C40 | 142.1° | 179.0° |
| C32 | N24 | N47 | C4 | 118.7° | 122.2° |
| C32 | N24 | N47 | C45 | 130.1° | 120.0° |
| C32 | N24 | C4 | H4C1 | 97.9° | 60.0° |
| C32 | N24 | C4 | H4C2 | 22.3° | 57.6° |
| N24 | C32 | H321 | H322 | 118.9° | 115.9° |
| C32 | N24 | N47 | H47 | 49.9° | 60.4° |
| C40 | C4 | N24 | N47 | 101.3° | 57.4° |
| C4 | C40 | H401 | H402 | 118.3° | 118.4° |
| C4 | C40 | C14 | H141 | 43.6° | 60.0° |
| C4 | C40 | C14 | H142 | 79.2° | 55.2° |
| C40 | C4 | H4C1 | H4C2 | 119.8° | 120.4° |
| C40 | C4 | H4C1 | N24 | 120.4° | 121.1° |
| C40 | C4 | H4C2 | N24 | 120.3° | 121.5° |
| O3 | C30 | N1 | O8 | 179.6° | 180.0° |
| O3 | C30 | O8 | C7 | 59.7° | 0.0° |
| O3 | C30 | N1 | C41 | 0.2° | 0.0° |
| O3 | C30 | N1 | H1 | 179.8° | 180.0° |
| N1 | C30 | O8 | C7 | 120.6° | 180.0° |
| C30 | N1 | C41 | C42 | 119.1° | 149.6° |
| C30 | N1 | C41 | H1 | 180.0° | 179.9° |
| C30 | N1 | C41 | H41 | 10.0° | 30.0° |
| C30 | N1 | C41 | C45 | 108.9° | 84.9° |
| C22 | C1 | O6 | C10 | 117.3° | 120.7° |
| C22 | C1 | C10 | N12 | 103.0° | 60.0° |
| C22 | C1 | C10 | O11 | 74.9° | 119.9° |
| C22 | C1 | C14 | H141 | 82.8° | 55.9° |
| C22 | C1 | C14 | H142 | 40.0° | 60.6° |
| C1 | C22 | H221 | H222 | 118.3° | 118.9° |
| C22 | C1 | O6 | H6 | 160.9° | 74.7° |
| O6 | C1 | C10 | N12 | 14.4° | 178.0° |
| O6 | C1 | C10 | O11 | 167.7° | 1.9° |
| O6 | C1 | C14 | H141 | 31.9° | 60.8° |
| O6 | C1 | C14 | H142 | 154.6° | 177.3° |
| O6 | C1 | C22 | H221 | 168.4° | 62.4° |
| O6 | C1 | C22 | H222 | 46.5° | 178.3° |
| O8 | C7 | H7C1 | H7C2 | 120.0° | 120.4° |
| O8 | C7 | H7C1 | H7C3 | 120.0° | 119.4° |
| O8 | C7 | H7C2 | H7C3 | 120.0° | 119.4° |
| C1 | C10 | N12 | O11 | 177.9° | 179.9° |
| C1 | C10 | N12 | C51 | 178.2° | 179.9° |
| C10 | C1 | C14 | H141 | 154.5° | 180.0° |
| C10 | C1 | C14 | H142 | 82.8° | 63.5° |
| C10 | C1 | C22 | H221 | 71.8° | 179.2° |
| C10 | C1 | C22 | H222 | 166.4° | 63.3° |
| C10 | C1 | O6 | H6 | 81.8° | 164.6° |
| C1 | C10 | N12 | H12 | 1.8° | 3.1° |
| C10 | N12 | C51 | H12 | 180.0° | 176.9° |
| C10 | N12 | C51 | C52 | 104.1° | 153.4° |
| C10 | N12 | C51 | C59 | 139.1° | 90.9° |
| C10 | N12 | C51 | H51 | 14.9° | 32.1° |
| O11 | C10 | N12 | C51 | 0.4° | 0.0° |
| O11 | C10 | N12 | H12 | 179.6° | 176.8° |
| N12 | C51 | C52 | C59 | 116.4° | 122.6° |
| N12 | C51 | C52 | H51 | 119.4° | 121.1° |
| N12 | C51 | C52 | C57 | 138.1° | 141.8° |
| N12 | C51 | C52 | C53 | 41.9° | 41.6° |
| N12 | C51 | C59 | H51 | 119.1° | 121.7° |
| N12 | C51 | C59 | C58 | 156.1° | 153.5° |
| N12 | C51 | C59 | O60 | 43.1° | 35.9° |
| N12 | C51 | C59 | H59 | 77.8° | 83.3° |
| C51 | C52 | C57 | C53 | 180.0° | 177.0° |
| C51 | C52 | C57 | C56 | 179.8° | 177.4° |
| C51 | C52 | C53 | C54 | 179.8° | 177.4° |
| C52 | C51 | C59 | H51 | 118.8° | 114.9° |
| C52 | C51 | C59 | C58 | 34.0° | 30.2° |
| C52 | C51 | C59 | O60 | 79.1° | 87.5° |
| C51 | C52 | C57 | C58 | 0.0° | 0.7° |
| C52 | C51 | N12 | H12 | 75.9° | 23.5° |
| C52 | C51 | C59 | H59 | 160.0° | 153.3° |
| C51 | C52 | C53 | H53 | 0.2° | 2.3° |
| C52 | C57 | C56 | C58 | 179.7° | 177.8° |
| C57 | C52 | C53 | C54 | 0.3° | 1.1° |
| C57 | C52 | C51 | C59 | 21.8° | 19.2° |
| C52 | C57 | C58 | C59 | 21.2° | 18.2° |
| C52 | C57 | C56 | C55 | 0.1° | 0.4° |
| C57 | C52 | C51 | H51 | 102.5° | 97.1° |
| C57 | C52 | C53 | H53 | 179.7° | 178.7° |
| C52 | C57 | C56 | H56 | 179.9° | 179.5° |
| C52 | C57 | C58 | H581 | 141.2° | 99.3° |
| C52 | C57 | C58 | H582 | 101.2° | 137.9° |
| C56 | C57 | C52 | C53 | 0.2° | 0.4° |
| C57 | C56 | C55 | C54 | 0.0° | 0.7° |
| C56 | C57 | C58 | C59 | 158.5° | 163.9° |
| C57 | C56 | C55 | H56 | 180.0° | 179.9° |
| C57 | C56 | C55 | H55 | 180.0° | 179.8° |
| C56 | C57 | C58 | H581 | 38.5° | 78.7° |
| C56 | C57 | C58 | H582 | 79.1° | 44.2° |
| C52 | C53 | C54 | H53 | 180.0° | 179.8° |
| C52 | C53 | C54 | C55 | 0.2° | 0.8° |
| C53 | C52 | C51 | C59 | 158.3° | 164.2° |
| C53 | C52 | C57 | C58 | 180.0° | 177.7° |
| C53 | C52 | C51 | H51 | 77.5° | 79.6° |
| C52 | C53 | C54 | H54 | 179.8° | 179.7° |
| C53 | C54 | C55 | H54 | 180.0° | 179.4° |
| C53 | C54 | C55 | C56 | 0.0° | 0.0° |
| C53 | C54 | C55 | H55 | 180.0° | 179.6° |
| C54 | C55 | C56 | H55 | 180.0° | 179.6° |
| C55 | C54 | C53 | H53 | 179.8° | 178.9° |
| C54 | C55 | C56 | H56 | 180.0° | 179.2° |
| C51 | C59 | C58 | O60 | 117.8° | 118.7° |
| C51 | C59 | C58 | H59 | 122.1° | 123.2° |
| C51 | C59 | O60 | H59 | 123.4° | 122.5° |
| C51 | C59 | C58 | C57 | 32.5° | 29.7° |
| C59 | C51 | N12 | H12 | 40.9° | 92.2° |
| C51 | C59 | C58 | H581 | 152.5° | 86.3° |
| C51 | C59 | C58 | H582 | 89.9° | 148.8° |
| C51 | C59 | O60 | H60 | 107.1° | 43.2° |
| C58 | C59 | O60 | H59 | 126.6° | 121.4° |
| C59 | C58 | C57 | H581 | 120.0° | 117.4° |
| C59 | C58 | C57 | H582 | 122.4° | 119.7° |
| C58 | C59 | C51 | H51 | 84.8° | 84.8° |
| C59 | C58 | H581 | H582 | 122.7° | 125.8° |
| C58 | C59 | O60 | H60 | 142.8° | 72.9° |
| O60 | C59 | C58 | C57 | 85.3° | 89.0° |
| O60 | C59 | C51 | H51 | 162.2° | 157.6° |
| O60 | C59 | C58 | H581 | 34.7° | 155.0° |
| O60 | C59 | C58 | H582 | 152.3° | 30.1° |
| O8 | C30 | N1 | C41 | 179.8° | 180.0° |
| C30 | O8 | C7 | H7C1 | 88.6° | 43.5° |
| C30 | O8 | C7 | H7C2 | 31.4° | 164.2° |
| C30 | O8 | C7 | H7C3 | 151.4° | 76.1° |
| O8 | C30 | N1 | H1 | 0.2° | 0.0° |
| C55 | C56 | C57 | C58 | 179.8° | 178.2° |
| C56 | C55 | C54 | H54 | 179.9° | 179.4° |
| C57 | C58 | C59 | H59 | 154.6° | 152.9° |
| C58 | C57 | C56 | H56 | 0.2° | 1.7° |
| C57 | C58 | H581 | H582 | 122.7° | 123.3° |
| C42 | C41 | N1 | H41 | 109.1° | 119.6° |
| C42 | C41 | N1 | C45 | 132.0° | 125.5° |
| C41 | C42 | C43 | C86 | 120.7° | 122.7° |
| C41 | C42 | C43 | C44 | 121.7° | 120.2° |
| C42 | C41 | C45 | O46 | 26.0° | 87.2° |
| C42 | C41 | C45 | N47 | 154.3° | 93.9° |
| C41 | C42 | C86 | C44 | 126.5° | 122.5° |
| C42 | C41 | H41 | C45 | 128.5° | 125.6° |
| C41 | C42 | C43 | H431 | 164.2° | 63.6° |
| C41 | C42 | C43 | H432 | 75.8° | 176.7° |
| C41 | C42 | C43 | H433 | 44.2° | 57.0° |
| C41 | C42 | C44 | H441 | 3.1° | 54.1° |
| C41 | C42 | C44 | H442 | 123.1° | 66.8° |
| C41 | C42 | C44 | H443 | 116.9° | 173.8° |
| C41 | C42 | C86 | H861 | 25.6° | 178.1° |
| C41 | C42 | C86 | H862 | 145.6° | 58.5° |
| C41 | C42 | C86 | H863 | 94.3° | 62.5° |
| C42 | C41 | N1 | H1 | 60.9° | 30.3° |
| N1 | C41 | C42 | C43 | 64.1° | 57.2° |
| N1 | C41 | C45 | O46 | 97.8° | 37.3° |
| N1 | C41 | C45 | N47 | 81.9° | 141.6° |
| N1 | C41 | C42 | C86 | 53.8° | 177.6° |
| N1 | C41 | H41 | C45 | 112.1° | 112.6° |
| N1 | C41 | C42 | C44 | 178.9° | 61.1° |
| C43 | C42 | C86 | C44 | 114.3° | 116.5° |
| C43 | C42 | C41 | H41 | 62.9° | 60.0° |
| C42 | C43 | H431 | H432 | 120.0° | 122.0° |
| C42 | C43 | H431 | H433 | 120.0° | 122.4° |
| C42 | C43 | H432 | H433 | 120.0° | 121.8° |
| C43 | C42 | C44 | H441 | 116.2° | 65.4° |
| C43 | C42 | C44 | H442 | 3.8° | 173.7° |
| C43 | C42 | C44 | H443 | 123.8° | 54.3° |
| C43 | C42 | C86 | H861 | 144.9° | 57.1° |
| C43 | C42 | C86 | H862 | 95.1° | 62.5° |
| C43 | C42 | C86 | H863 | 24.9° | 176.5° |
| C43 | C42 | C41 | C45 | 179.6° | 177.7° |
| O46 | C45 | N47 | N24 | 0.2° | 0.0° |
| O46 | C45 | N47 | C41 | 179.7° | 178.9° |
| O46 | C45 | N47 | H47 | 179.8° | 179.6° |
| O46 | C45 | C41 | H41 | 134.1° | 150.0° |
| N24 | N47 | C45 | H47 | 180.0° | 179.6° |
| N47 | N24 | C4 | H4C1 | 18.7° | 178.4° |
| N47 | N24 | C4 | H4C2 | 138.9° | 64.1° |
| N47 | N24 | C32 | H321 | 177.9° | 56.3° |
| N47 | N24 | C32 | H322 | 61.0° | 59.2° |
| N24 | N47 | C45 | C41 | 179.5° | 178.8° |
| N47 | C45 | C41 | H41 | 46.2° | 28.9° |
| C45 | N47 | N24 | C4 | 111.2° | 117.9° |
| BR | C36 | C35 | H35 | 0.2° | 0.0° |
| BR | C36 | C37 | H37 | 0.3° | 0.1° |
| C86 | C42 | C41 | H41 | 179.2° | 60.4° |
| C86 | C42 | C43 | H431 | 43.5° | 59.1° |
| C86 | C42 | C43 | H432 | 163.6° | 60.6° |
| C86 | C42 | C43 | H433 | 76.5° | 179.7° |
| C86 | C42 | C44 | H441 | 128.6° | 177.6° |
| C86 | C42 | C44 | H442 | 111.4° | 56.7° |
| C86 | C42 | C44 | H443 | 8.7° | 62.7° |
| C42 | C86 | H861 | H862 | 120.0° | 122.2° |
| C42 | C86 | H861 | H863 | 120.0° | 122.1° |
| C42 | C86 | H862 | H863 | 120.0° | 123.1° |
| C86 | C42 | C41 | C45 | 62.6° | 61.9° |
| H401 | C40 | C14 | H141 | 76.4° | 178.8° |
| H401 | C40 | C14 | H142 | 160.8° | 65.9° |
| H401 | C40 | C4 | H4C1 | 91.5° | 61.5° |
| H401 | C40 | C4 | H4C2 | 28.7° | 179.6° |
| H401 | C40 | C4 | N24 | 148.5° | 58.8° |
| H402 | C40 | C14 | H141 | 161.8° | 60.9° |
| H402 | C40 | C14 | H142 | 39.0° | 176.2° |
| H402 | C40 | C4 | H4C1 | 146.8° | 178.6° |
| H402 | C40 | C4 | H4C2 | 93.0° | 62.5° |
| H402 | C40 | C4 | N24 | 26.8° | 58.4° |
| H4C1 | C4 | H4C2 | N24 | 119.8° | 118.2° |
| H24 | C24 | C25 | H25 | 0.4° | 0.0° |
| H28 | C28 | C27 | H27 | 0.3° | 0.0° |
| H25 | C25 | C26 | H26 | 0.6° | 0.0° |
| H26 | C26 | C27 | H27 | 0.5° | 0.0° |
| H12 | N12 | C51 | H51 | 165.1° | 144.8° |
| H51 | C51 | C59 | H59 | 41.3° | 38.4° |
| H321 | C32 | N24 | C4 | 65.5° | 178.0° |
| H322 | C32 | N24 | C4 | 55.6° | 62.4° |
| H47 | N47 | C45 | C41 | 0.5° | 0.8° |
| H47 | N47 | N24 | C4 | 68.9° | 61.8° |
| H59 | C59 | C58 | H581 | 85.4° | 36.9° |
| H59 | C59 | C58 | H582 | 32.2° | 88.0° |
| H59 | C59 | O60 | H60 | 16.3° | 165.7° |
| H53 | C53 | C54 | H54 | 0.2° | 0.5° |
| H54 | C54 | C55 | H55 | 0.0° | 0.1° |
| H55 | C55 | C56 | H56 | 0.0° | 0.3° |
| H34 | C34 | C35 | H35 | 0.2° | 0.1° |
| H38 | C38 | C37 | H37 | 0.2° | 0.1° |
| H41 | C41 | N1 | H1 | 170.1° | 150.0° |
| H41 | C41 | C42 | C44 | 54.2° | 178.4° |
| H431 | C43 | H432 | H433 | 120.0° | 115.9° |
| H431 | C43 | C42 | C44 | 74.1° | 176.2° |
| H432 | C43 | C42 | C44 | 45.9° | 56.5° |
| H433 | C43 | C42 | C44 | 165.9° | 63.2° |
| H441 | C44 | H442 | H443 | 120.0° | 115.5° |
| H441 | C44 | H442 | C42 | 120.0° | 122.6° |
| H441 | C44 | H443 | C42 | 120.0° | 121.8° |
| H442 | C44 | H443 | C42 | 120.0° | 122.2° |
| H861 | C86 | H862 | H863 | 120.0° | 115.2° |
| H861 | C86 | C42 | C44 | 100.8° | 59.4° |
| H862 | C86 | C42 | C44 | 19.2° | 179.0° |
| H863 | C86 | C42 | C44 | 139.2° | 60.0° |
| H7C1 | C7 | H7C2 | H7C3 | 120.0° | 120.2° |
| H1 | N1 | C41 | C45 | 71.1° | 95.1° |
| C44 | C42 | C41 | C45 | 62.5° | 59.4° |
