ARH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.47Å | 1.51Å | |
| C1 | C6 | doub | 1.35Å | 1.39Å | |
| C1 | HC1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.47Å | 1.43Å | |
| C2 | O11 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | N7 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.44Å | |
| C4 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.49Å | 1.52Å | |
| C5 | O10 | doub | 1.21Å | 1.24Å | |
| C6 | N12 | sing | 1.38Å | 1.38Å | |
| N7 | C8 | sing | 1.36Å | 1.43Å | Aromatic |
| N7 | C25 | sing | 1.46Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.45Å | Aromatic |
| C8 | C32 | sing | 1.48Å | 1.57Å | Aromatic |
| C9 | C33 | sing | 1.51Å | 1.54Å | |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| N12 | C14 | sing | 1.46Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.45Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C17 | sing | 1.53Å | 1.51Å | |
| C14 | HC41 | sing | 1.09Å | 1.12Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C32 | C38 | doub | 1.40Å | 1.43Å | Aromatic |
| C32 | C42 | sing | 1.40Å | 1.43Å | Aromatic |
| C33 | O34 | sing | 1.43Å | 1.41Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| O34 | HO43 | sing | 0.97Å | 0.95Å | |
| C38 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| C38 | HC83 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | HC93 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | sing | 1.38Å | 1.41Å | Aromatic |
| C40 | HC04 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C41 | HC14 | sing | 1.08Å | 1.10Å | |
| C42 | HC24 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 123.0° | 120.8° |
| C2 | C1 | HC1 | 118.5° | 119.6° |
| C1 | C2 | C3 | 116.8° | 120.2° |
| C1 | C2 | O11 | 119.6° | 119.8° |
| C6 | C1 | HC1 | 118.5° | 119.6° |
| C1 | C6 | C5 | 119.3° | 120.2° |
| C1 | C6 | N12 | 123.6° | 119.9° |
| C3 | C2 | O11 | 123.7° | 119.9° |
| C2 | C3 | C4 | 120.8° | 119.6° |
| C2 | C3 | N7 | 129.1° | 132.5° |
| C4 | C3 | N7 | 110.0° | 107.9° |
| C3 | C4 | C5 | 123.5° | 119.7° |
| C3 | C4 | C9 | 108.1° | 107.3° |
| C3 | N7 | C8 | 106.9° | 109.0° |
| C3 | N7 | C25 | 124.9° | 125.5° |
| C5 | C4 | C9 | 128.4° | 133.1° |
| C4 | C5 | C6 | 116.6° | 119.5° |
| C4 | C5 | O10 | 122.3° | 120.3° |
| C4 | C9 | C8 | 106.6° | 107.2° |
| C4 | C9 | C33 | 123.3° | 126.4° |
| C6 | C5 | O10 | 121.1° | 120.2° |
| C5 | C6 | N12 | 117.0° | 119.9° |
| C6 | N12 | C13 | 150.2° | 148.5° |
| C6 | N12 | C14 | 133.9° | 148.7° |
| C8 | N7 | C25 | 128.2° | 125.5° |
| N7 | C8 | C9 | 108.3° | 108.6° |
| N7 | C8 | C32 | 127.2° | 125.7° |
| N7 | C25 | H251 | 124.9° | 109.5° |
| N7 | C25 | H252 | 106.8° | 109.4° |
| N7 | C25 | H253 | 106.8° | 109.5° |
| C9 | C8 | C32 | 124.5° | 125.7° |
| C8 | C9 | C33 | 130.1° | 126.4° |
| C8 | C32 | C38 | 122.6° | 120.2° |
| C8 | C32 | C42 | 121.7° | 120.2° |
| C9 | C33 | O34 | 110.8° | 109.5° |
| C9 | C33 | H331 | 111.7° | 109.5° |
| C9 | C33 | H332 | 111.7° | 109.4° |
| C13 | N12 | C14 | 57.8° | 62.8° |
| N12 | C13 | C14 | 62.1° | 58.4° |
| N12 | C13 | H131 | 133.8° | 117.8° |
| N12 | C13 | H132 | 133.8° | 117.6° |
| N12 | C14 | C13 | 60.1° | 58.8° |
| N12 | C14 | C17 | 115.2° | 117.7° |
| N12 | C14 | HC41 | 117.7° | 117.7° |
| C14 | C13 | H131 | 133.8° | 117.6° |
| C14 | C13 | H132 | 133.8° | 117.7° |
| C13 | C14 | C17 | 115.8° | 117.6° |
| C13 | C14 | HC41 | 117.7° | 117.6° |
| H131 | C13 | H132 | 72.2° | 115.7° |
| C17 | C14 | HC41 | 117.7° | 115.7° |
| C14 | C17 | H171 | 115.2° | 109.4° |
| C14 | C17 | H172 | 110.1° | 109.5° |
| C14 | C17 | H173 | 110.1° | 109.4° |
| H171 | C17 | H172 | 110.1° | 109.5° |
| H171 | C17 | H173 | 110.1° | 109.5° |
| H172 | C17 | H173 | 100.1° | 109.5° |
| H251 | C25 | H252 | 106.8° | 109.4° |
| H251 | C25 | H253 | 106.8° | 109.5° |
| H252 | C25 | H253 | 102.9° | 109.4° |
| C38 | C32 | C42 | 115.7° | 119.7° |
| C32 | C38 | C39 | 122.3° | 119.8° |
| C32 | C38 | HC83 | 118.9° | 120.0° |
| C32 | C42 | C41 | 122.7° | 119.8° |
| C32 | C42 | HC24 | 118.7° | 120.1° |
| O34 | C33 | H331 | 111.7° | 109.5° |
| O34 | C33 | H332 | 111.7° | 109.5° |
| C33 | O34 | HO43 | 110.8° | 106.8° |
| H331 | C33 | H332 | 98.7° | 109.5° |
| C39 | C38 | HC83 | 118.8° | 120.1° |
| C38 | C39 | C40 | 120.2° | 120.2° |
| C38 | C39 | HC93 | 119.9° | 119.9° |
| C40 | C39 | HC93 | 119.9° | 119.9° |
| C39 | C40 | C41 | 119.3° | 120.2° |
| C39 | C40 | HC04 | 120.4° | 119.9° |
| C41 | C40 | HC04 | 120.4° | 119.9° |
| C40 | C41 | C42 | 119.8° | 120.2° |
| C40 | C41 | HC14 | 120.1° | 119.9° |
| C42 | C41 | HC14 | 120.1° | 119.9° |
| C41 | C42 | HC24 | 118.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | HC1 | 180.0° | 180.0° |
| C1 | C2 | C3 | O11 | 178.8° | 180.0° |
| C1 | C2 | C3 | C4 | 1.6° | 0.0° |
| C1 | C2 | C3 | N7 | 178.3° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.2° |
| C2 | C1 | C6 | N12 | 175.3° | 180.0° |
| C6 | C1 | C2 | C3 | 1.2° | 0.0° |
| C6 | C1 | C2 | O11 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 1.2° | 0.5° |
| C1 | C6 | C5 | N12 | 175.8° | 179.8° |
| C1 | C6 | C5 | O10 | 179.6° | 179.6° |
| C1 | C6 | N12 | C13 | 102.6° | 180.0° |
| C1 | C6 | N12 | C14 | 1.4° | 0.1° |
| HC1 | C1 | C2 | C3 | 178.8° | 180.0° |
| HC1 | C1 | C2 | O11 | 0.0° | 0.0° |
| HC1 | C1 | C6 | C5 | 179.8° | 179.8° |
| HC1 | C1 | C6 | N12 | 4.7° | 0.0° |
| C2 | C3 | C4 | N7 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.3° |
| C2 | C3 | C4 | C9 | 179.8° | 180.0° |
| C2 | C3 | N7 | C8 | 179.8° | 180.0° |
| C2 | C3 | N7 | C25 | 0.4° | 0.0° |
| O11 | C2 | C3 | C4 | 179.6° | 180.0° |
| O11 | C2 | C3 | N7 | 0.5° | 0.0° |
| C3 | C4 | C5 | C9 | 179.5° | 179.6° |
| C3 | C4 | C5 | C6 | 0.8° | 0.5° |
| C3 | C4 | C5 | O10 | 180.0° | 179.5° |
| C4 | C3 | N7 | C8 | 0.1° | 0.0° |
| C4 | C3 | N7 | C25 | 179.5° | 180.0° |
| C3 | C4 | C9 | C8 | 0.6° | 0.0° |
| C3 | C4 | C9 | C33 | 179.7° | 180.0° |
| N7 | C3 | C4 | C5 | 179.3° | 179.7° |
| N7 | C3 | C4 | C9 | 0.3° | 0.0° |
| C3 | N7 | C8 | C25 | 179.4° | 180.0° |
| C3 | N7 | C8 | C9 | 0.5° | 0.0° |
| C3 | N7 | C8 | C32 | 179.5° | 180.0° |
| C3 | N7 | C25 | H251 | 180.0° | 90.0° |
| C3 | N7 | C25 | H252 | 54.8° | 150.0° |
| C3 | N7 | C25 | H253 | 54.7° | 30.1° |
| C4 | C5 | C6 | O10 | 179.2° | 180.0° |
| C4 | C5 | C6 | N12 | 174.6° | 179.7° |
| C5 | C4 | C9 | C8 | 179.0° | 179.7° |
| C5 | C4 | C9 | C33 | 0.7° | 0.3° |
| C9 | C4 | C5 | C6 | 178.7° | 179.9° |
| C9 | C4 | C5 | O10 | 0.5° | 0.1° |
| C4 | C9 | C8 | N7 | 0.6° | 0.0° |
| C4 | C9 | C8 | C33 | 179.7° | 179.9° |
| C4 | C9 | C8 | C32 | 179.3° | 180.0° |
| C4 | C9 | C33 | O34 | 64.4° | 90.0° |
| C4 | C9 | C33 | H331 | 60.8° | 30.0° |
| C4 | C9 | C33 | H332 | 170.3° | 150.0° |
| C5 | C6 | N12 | C13 | 81.8° | 0.2° |
| C5 | C6 | N12 | C14 | 177.0° | 179.7° |
| O10 | C5 | C6 | N12 | 4.6° | 0.3° |
| C6 | N12 | C13 | C14 | 123.4° | 179.9° |
| C6 | N12 | C13 | H131 | 1.9° | 73.0° |
| C6 | N12 | C13 | H132 | 111.3° | 73.0° |
| C6 | N12 | C14 | C17 | 38.3° | 72.8° |
| C6 | N12 | C14 | HC41 | 107.5° | 73.0° |
| N7 | C8 | C9 | C32 | 179.9° | 180.0° |
| N7 | C8 | C9 | C33 | 179.7° | 179.9° |
| C8 | N7 | C25 | H251 | 0.7° | 90.0° |
| C8 | N7 | C25 | H252 | 126.0° | 30.0° |
| C8 | N7 | C25 | H253 | 124.5° | 149.9° |
| N7 | C8 | C32 | C38 | 0.2° | 59.9° |
| N7 | C8 | C32 | C42 | 179.8° | 120.2° |
| C25 | N7 | C8 | C9 | 179.8° | 180.0° |
| C25 | N7 | C8 | C32 | 0.1° | 0.1° |
| N7 | C25 | H251 | H252 | 125.2° | 120.0° |
| N7 | C25 | H251 | H253 | 125.3° | 120.1° |
| N7 | C25 | H252 | H253 | 112.2° | 120.0° |
| C9 | C8 | C32 | C38 | 179.8° | 120.0° |
| C9 | C8 | C32 | C42 | 0.2° | 59.8° |
| C8 | C9 | C33 | O34 | 115.2° | 89.9° |
| C8 | C9 | C33 | H331 | 119.5° | 150.0° |
| C8 | C9 | C33 | H332 | 10.0° | 30.1° |
| C32 | C8 | C9 | C33 | 0.4° | 0.0° |
| C8 | C32 | C38 | C42 | 180.0° | 179.9° |
| C8 | C32 | C38 | C39 | 179.9° | 180.0° |
| C8 | C32 | C38 | HC83 | 0.1° | 0.0° |
| C8 | C32 | C42 | C41 | 179.9° | 179.8° |
| C8 | C32 | C42 | HC24 | 0.2° | 0.2° |
| C9 | C33 | O34 | H331 | 125.3° | 120.0° |
| C9 | C33 | O34 | H332 | 125.2° | 120.0° |
| C9 | C33 | H331 | H332 | 117.6° | 120.0° |
| C9 | C33 | O34 | HO43 | 180.0° | 180.0° |
| N12 | C13 | C14 | H131 | 125.3° | 107.2° |
| N12 | C13 | C14 | H132 | 125.3° | 107.0° |
| N12 | C13 | H131 | H132 | 134.4° | 146.7° |
| C13 | N12 | C14 | C17 | 106.5° | 107.1° |
| C13 | N12 | C14 | HC41 | 107.7° | 107.1° |
| N12 | C14 | C17 | HC41 | 145.8° | 146.5° |
| N12 | C14 | C17 | H171 | 180.0° | 179.2° |
| N12 | C14 | C17 | H172 | 54.7° | 59.2° |
| N12 | C14 | C17 | H173 | 54.7° | 60.8° |
| C14 | C13 | H131 | H132 | 134.4° | 146.4° |
| C13 | C14 | C17 | HC41 | 146.8° | 146.3° |
| C13 | C14 | C17 | H171 | 112.6° | 111.9° |
| C13 | C14 | C17 | H172 | 122.1° | 8.1° |
| C13 | C14 | C17 | H173 | 12.7° | 128.1° |
| H131 | C13 | C14 | C17 | 19.7° | 0.0° |
| H131 | C13 | C14 | HC41 | 127.1° | 145.6° |
| H132 | C13 | C14 | C17 | 129.2° | 145.8° |
| H132 | C13 | C14 | HC41 | 17.6° | 0.2° |
| C14 | C17 | H171 | H172 | 125.3° | 120.0° |
| C14 | C17 | H171 | H173 | 125.3° | 119.9° |
| C14 | C17 | H172 | H173 | 115.9° | 119.9° |
| HC41 | C14 | C17 | H171 | 34.2° | 34.3° |
| HC41 | C14 | C17 | H172 | 91.1° | 154.4° |
| HC41 | C14 | C17 | H173 | 159.5° | 85.7° |
| H171 | C17 | H172 | H173 | 115.9° | 120.1° |
| H251 | C25 | H252 | H253 | 112.2° | 120.0° |
| C32 | C38 | C39 | HC83 | 180.0° | 180.0° |
| C32 | C38 | C39 | C40 | 0.1° | 0.1° |
| C32 | C38 | C39 | HC93 | 179.9° | 180.0° |
| C38 | C32 | C42 | C41 | 0.2° | 0.4° |
| C38 | C32 | C42 | HC24 | 179.8° | 180.0° |
| C42 | C32 | C38 | C39 | 0.2° | 0.1° |
| C42 | C32 | C38 | HC83 | 179.9° | 179.9° |
| C32 | C42 | C41 | C40 | 0.1° | 0.4° |
| C32 | C42 | C41 | HC24 | 180.0° | 179.6° |
| C32 | C42 | C41 | HC14 | 180.0° | 179.8° |
| O34 | C33 | H331 | H332 | 117.6° | 120.0° |
| H331 | C33 | O34 | HO43 | 54.7° | 60.0° |
| H332 | C33 | O34 | HO43 | 54.8° | 60.0° |
| C38 | C39 | C40 | HC93 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 0.1° | 0.1° |
| C38 | C39 | C40 | HC04 | 180.0° | 179.9° |
| HC83 | C38 | C39 | C40 | 180.0° | 179.9° |
| HC83 | C38 | C39 | HC93 | 0.0° | 0.0° |
| C39 | C40 | C41 | HC04 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 0.1° | 0.2° |
| C39 | C40 | C41 | HC14 | 179.9° | 180.0° |
| HC93 | C39 | C40 | C41 | 179.9° | 180.0° |
| HC93 | C39 | C40 | HC04 | 0.0° | 0.1° |
| C40 | C41 | C42 | HC14 | 180.0° | 179.8° |
| C40 | C41 | C42 | HC24 | 179.9° | 180.0° |
| HC04 | C40 | C41 | C42 | 180.0° | 179.8° |
| HC04 | C40 | C41 | HC14 | 0.0° | 0.0° |
| HC14 | C41 | C42 | HC24 | 0.1° | 0.2° |
