B96
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | N2 | sing | 1.35Å | 1.32Å | |
| C1 | N9 | sing | 1.35Å | 1.33Å | |
| N2 | C3 | sing | 1.40Å | 1.32Å | |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| C3 | C4 | doub | 1.41Å | 1.36Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.37Å | Aromatic |
| C4 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.36Å | Aromatic |
| C5 | C34 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | O41 | sing | 1.36Å | 1.30Å | |
| C31 | C32 | doub | 1.36Å | 1.42Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | sing | 1.39Å | 1.37Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N9 | C10 | sing | 1.39Å | 1.33Å | |
| N9 | H9 | sing | 0.97Å | 1.02Å | |
| C10 | C14 | doub | 1.36Å | 1.34Å | Aromatic |
| C10 | N11 | sing | 1.36Å | 1.31Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.35Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C13 | N12 | doub | 1.31Å | 1.32Å | Aromatic |
| C13 | C16 | sing | 1.51Å | 1.32Å | |
| N12 | N11 | sing | 1.40Å | 1.39Å | Aromatic |
| N11 | C15 | sing | 1.40Å | 1.34Å | Aromatic |
| C15 | C20 | doub | 1.39Å | 1.33Å | Aromatic |
| C15 | C24 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| C19 | C16 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.36Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C25 | sing | 1.51Å | 1.48Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.11Å | |
| O41 | C42 | sing | 1.43Å | 1.42Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C43 | N44 | sing | 1.47Å | 1.49Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| N44 | C45 | sing | 1.47Å | 1.46Å | |
| N44 | C49 | sing | 1.47Å | 1.48Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C46 | O47 | sing | 1.43Å | 1.41Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| O47 | C48 | sing | 1.43Å | 1.38Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | H481 | sing | 1.09Å | 1.12Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| C49 | H491 | sing | 1.09Å | 1.12Å | |
| C49 | H492 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N2 | 119.7° | 120.0° |
| O1 | C1 | N9 | 122.2° | 120.0° |
| N2 | C1 | N9 | 118.1° | 120.0° |
| C1 | N2 | C3 | 121.1° | 120.0° |
| C1 | N2 | H2 | 108.1° | 120.0° |
| C1 | N9 | C10 | 127.1° | 120.0° |
| C1 | N9 | H9 | 116.3° | 120.0° |
| C3 | N2 | H2 | 108.1° | 120.1° |
| N2 | C3 | C4 | 116.7° | 120.2° |
| N2 | C3 | C8 | 121.3° | 120.3° |
| C4 | C3 | C8 | 121.9° | 119.5° |
| C3 | C4 | C5 | 120.6° | 119.3° |
| C3 | C4 | C31 | 119.9° | 121.3° |
| C3 | C8 | C7 | 118.7° | 120.9° |
| C3 | C8 | H8 | 118.1° | 119.6° |
| C5 | C4 | C31 | 119.6° | 119.4° |
| C4 | C5 | C6 | 119.0° | 119.5° |
| C4 | C5 | C34 | 119.4° | 119.3° |
| C4 | C31 | C32 | 120.6° | 119.7° |
| C4 | C31 | H31 | 118.9° | 120.1° |
| C6 | C5 | C34 | 121.6° | 121.2° |
| C5 | C6 | C7 | 120.2° | 119.8° |
| C5 | C6 | O41 | 118.3° | 120.1° |
| C5 | C34 | C33 | 121.2° | 119.7° |
| C5 | C34 | H34 | 120.7° | 120.2° |
| C7 | C6 | O41 | 121.5° | 120.1° |
| C6 | C7 | C8 | 119.5° | 121.0° |
| C6 | C7 | H7 | 119.6° | 119.5° |
| C6 | O41 | C42 | 115.7° | 106.8° |
| C32 | C31 | H31 | 120.5° | 120.2° |
| C31 | C32 | C33 | 120.2° | 121.0° |
| C31 | C32 | H32 | 121.6° | 119.6° |
| C33 | C32 | H32 | 118.2° | 119.5° |
| C32 | C33 | C34 | 119.0° | 120.9° |
| C32 | C33 | H33 | 119.8° | 119.5° |
| C34 | C33 | H33 | 121.2° | 119.5° |
| C33 | C34 | H34 | 118.1° | 120.1° |
| C8 | C7 | H7 | 120.9° | 119.5° |
| C7 | C8 | H8 | 123.3° | 119.6° |
| C10 | N9 | H9 | 116.6° | 120.0° |
| N9 | C10 | C14 | 126.4° | 126.2° |
| N9 | C10 | N11 | 124.6° | 126.3° |
| C14 | C10 | N11 | 108.8° | 107.4° |
| C10 | C14 | C13 | 107.0° | 107.9° |
| C10 | C14 | H14 | 126.2° | 126.1° |
| C10 | N11 | N12 | 108.8° | 107.8° |
| C10 | N11 | C15 | 125.9° | 126.1° |
| C13 | C14 | H14 | 126.8° | 126.1° |
| C14 | C13 | N12 | 110.1° | 108.5° |
| C14 | C13 | C16 | 124.3° | 125.7° |
| N12 | C13 | C16 | 125.6° | 125.8° |
| C13 | N12 | N11 | 105.3° | 108.4° |
| C13 | C16 | C17 | 114.7° | 109.4° |
| C13 | C16 | C18 | 113.2° | 109.5° |
| C13 | C16 | C19 | 113.6° | 109.5° |
| N12 | N11 | C15 | 125.2° | 126.1° |
| N11 | C15 | C20 | 117.8° | 120.1° |
| N11 | C15 | C24 | 121.1° | 120.1° |
| C20 | C15 | C24 | 121.1° | 119.9° |
| C15 | C20 | C21 | 121.1° | 119.9° |
| C15 | C20 | H20 | 117.9° | 120.0° |
| C15 | C24 | C23 | 119.3° | 119.9° |
| C15 | C24 | H24 | 119.4° | 120.0° |
| C16 | C17 | H171 | 110.3° | 109.4° |
| C16 | C17 | H172 | 114.7° | 109.5° |
| C16 | C17 | H173 | 110.3° | 109.5° |
| C17 | C16 | C18 | 104.3° | 109.5° |
| C17 | C16 | C19 | 105.4° | 109.5° |
| H171 | C17 | H172 | 110.3° | 109.5° |
| H171 | C17 | H173 | 99.9° | 109.5° |
| H172 | C17 | H173 | 110.3° | 109.5° |
| C16 | C18 | H181 | 110.8° | 109.5° |
| C16 | C18 | H182 | 113.2° | 109.5° |
| C16 | C18 | H183 | 110.8° | 109.5° |
| C18 | C16 | C19 | 104.5° | 109.5° |
| H181 | C18 | H182 | 110.8° | 109.5° |
| H181 | C18 | H183 | 99.5° | 109.5° |
| H182 | C18 | H183 | 110.8° | 109.5° |
| C16 | C19 | H191 | 110.7° | 109.4° |
| C16 | C19 | H192 | 113.6° | 109.4° |
| C16 | C19 | H193 | 110.7° | 109.5° |
| H191 | C19 | H192 | 110.7° | 109.5° |
| H191 | C19 | H193 | 99.6° | 109.5° |
| H192 | C19 | H193 | 110.7° | 109.5° |
| C21 | C20 | H20 | 121.1° | 120.1° |
| C20 | C21 | C22 | 119.5° | 120.1° |
| C20 | C21 | H21 | 120.7° | 120.0° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C21 | C22 | C23 | 120.0° | 120.2° |
| C21 | C22 | C25 | 119.6° | 119.9° |
| C23 | C22 | C25 | 120.4° | 119.9° |
| C22 | C23 | C24 | 119.0° | 120.1° |
| C22 | C23 | H23 | 120.4° | 120.0° |
| C22 | C25 | H251 | 108.6° | 109.5° |
| C22 | C25 | H252 | 119.5° | 109.5° |
| C22 | C25 | H253 | 108.6° | 109.5° |
| C24 | C23 | H23 | 120.6° | 119.9° |
| C23 | C24 | H24 | 121.3° | 120.1° |
| H251 | C25 | H252 | 108.6° | 109.5° |
| H251 | C25 | H253 | 101.4° | 109.5° |
| H252 | C25 | H253 | 108.6° | 109.4° |
| O41 | C42 | C43 | 107.8° | 109.5° |
| O41 | C42 | H421 | 112.8° | 109.4° |
| O41 | C42 | H422 | 112.8° | 109.5° |
| C43 | C42 | H421 | 112.8° | 109.5° |
| C43 | C42 | H422 | 112.8° | 109.5° |
| C42 | C43 | N44 | 115.4° | 109.5° |
| C42 | C43 | H431 | 110.0° | 109.5° |
| C42 | C43 | H432 | 110.1° | 109.5° |
| H421 | C42 | H422 | 97.7° | 109.5° |
| N44 | C43 | H431 | 110.1° | 109.5° |
| N44 | C43 | H432 | 110.0° | 109.4° |
| C43 | N44 | C45 | 108.5° | 106.7° |
| C43 | N44 | C49 | 105.7° | 106.6° |
| H431 | C43 | H432 | 100.2° | 109.4° |
| C45 | N44 | C49 | 112.7° | 106.7° |
| N44 | C45 | C46 | 115.3° | 109.5° |
| N44 | C45 | H451 | 110.1° | 109.4° |
| N44 | C45 | H452 | 110.1° | 109.5° |
| N44 | C49 | C48 | 117.9° | 109.5° |
| N44 | C49 | H491 | 109.2° | 109.5° |
| N44 | C49 | H492 | 109.2° | 109.5° |
| C46 | C45 | H451 | 110.1° | 109.5° |
| C46 | C45 | H452 | 110.1° | 109.4° |
| C45 | C46 | O47 | 110.7° | 109.7° |
| C45 | C46 | H461 | 111.8° | 109.4° |
| C45 | C46 | H462 | 111.8° | 109.4° |
| H451 | C45 | H452 | 100.2° | 109.5° |
| O47 | C46 | H461 | 111.7° | 109.4° |
| O47 | C46 | H462 | 111.7° | 109.4° |
| C46 | O47 | C48 | 105.8° | 107.2° |
| H461 | C46 | H462 | 98.6° | 109.5° |
| O47 | C48 | C49 | 110.7° | 109.7° |
| O47 | C48 | H481 | 111.8° | 109.4° |
| O47 | C48 | H482 | 111.8° | 109.5° |
| C49 | C48 | H481 | 111.8° | 109.4° |
| C49 | C48 | H482 | 111.8° | 109.4° |
| C48 | C49 | H491 | 109.2° | 109.5° |
| C48 | C49 | H492 | 109.1° | 109.5° |
| H481 | C48 | H482 | 98.6° | 109.4° |
| H491 | C49 | H492 | 101.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N2 | N9 | 177.3° | 180.0° |
| O1 | C1 | N2 | C3 | 5.8° | 6.1° |
| O1 | C1 | N2 | H2 | 131.0° | 173.9° |
| O1 | C1 | N9 | C10 | 4.4° | 0.0° |
| O1 | C1 | N9 | H9 | 175.6° | 179.9° |
| C1 | N2 | C3 | H2 | 125.3° | 180.0° |
| C1 | N2 | C3 | C4 | 127.5° | 155.0° |
| C1 | N2 | C3 | C8 | 51.4° | 24.8° |
| N2 | C1 | N9 | C10 | 178.4° | 180.0° |
| N2 | C1 | N9 | H9 | 1.6° | 0.1° |
| N9 | C1 | N2 | C3 | 176.9° | 173.9° |
| N9 | C1 | N2 | H2 | 51.7° | 6.1° |
| C1 | N9 | C10 | H9 | 180.0° | 179.9° |
| C1 | N9 | C10 | C14 | 41.8° | 0.0° |
| C1 | N9 | C10 | N11 | 144.4° | 179.6° |
| N2 | C3 | C4 | C8 | 178.8° | 179.8° |
| N2 | C3 | C4 | C5 | 179.6° | 179.7° |
| N2 | C3 | C4 | C31 | 1.0° | 0.5° |
| N2 | C3 | C8 | C7 | 179.4° | 179.9° |
| N2 | C3 | C8 | H8 | 0.6° | 0.1° |
| H2 | N2 | C3 | C4 | 2.2° | 25.0° |
| H2 | N2 | C3 | C8 | 176.6° | 155.2° |
| C3 | C4 | C5 | C31 | 179.4° | 179.2° |
| C3 | C4 | C5 | C6 | 1.0° | 0.5° |
| C3 | C4 | C5 | C34 | 179.6° | 179.7° |
| C3 | C4 | C31 | C32 | 179.4° | 179.7° |
| C3 | C4 | C31 | H31 | 0.6° | 0.5° |
| C4 | C3 | C8 | C7 | 0.7° | 0.3° |
| C4 | C3 | C8 | H8 | 179.3° | 179.7° |
| C8 | C3 | C4 | C5 | 0.8° | 0.5° |
| C8 | C3 | C4 | C31 | 179.8° | 179.7° |
| C3 | C8 | C7 | C6 | 0.8° | 0.0° |
| C3 | C8 | C7 | H8 | 180.0° | 180.0° |
| C3 | C8 | C7 | H7 | 179.2° | 180.0° |
| C4 | C5 | C6 | C34 | 179.4° | 179.8° |
| C4 | C5 | C6 | C7 | 1.1° | 0.2° |
| C4 | C5 | C6 | O41 | 178.5° | 179.7° |
| C5 | C4 | C31 | C32 | 0.0° | 0.5° |
| C5 | C4 | C31 | H31 | 180.0° | 179.7° |
| C4 | C5 | C34 | C33 | 0.6° | 0.3° |
| C4 | C5 | C34 | H34 | 179.4° | 179.8° |
| C31 | C4 | C5 | C6 | 179.6° | 179.7° |
| C31 | C4 | C5 | C34 | 0.2° | 0.5° |
| C4 | C31 | C32 | H31 | 180.0° | 179.9° |
| C4 | C31 | C32 | C33 | 0.0° | 0.2° |
| C4 | C31 | C32 | H32 | 180.0° | 179.8° |
| C5 | C6 | C7 | O41 | 179.6° | 179.9° |
| C6 | C5 | C34 | C33 | 179.9° | 180.0° |
| C6 | C5 | C34 | H34 | 0.1° | 0.0° |
| C5 | C6 | C7 | C8 | 1.0° | 0.0° |
| C5 | C6 | C7 | H7 | 179.0° | 180.0° |
| C5 | C6 | O41 | C42 | 172.9° | 180.0° |
| C34 | C5 | C6 | C7 | 179.5° | 180.0° |
| C34 | C5 | C6 | O41 | 0.8° | 0.1° |
| C5 | C34 | C33 | C32 | 0.6° | 0.0° |
| C5 | C34 | C33 | H34 | 180.0° | 180.0° |
| C5 | C34 | C33 | H33 | 179.4° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 179.3° | 180.0° |
| C7 | C6 | O41 | C42 | 7.4° | 0.0° |
| O41 | C6 | C7 | C8 | 178.6° | 180.0° |
| O41 | C6 | C7 | H7 | 1.4° | 0.0° |
| C6 | O41 | C42 | C43 | 166.3° | 180.0° |
| C6 | O41 | C42 | H421 | 68.4° | 59.9° |
| C6 | O41 | C42 | H422 | 41.1° | 60.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.4° | 0.0° |
| C31 | C32 | C33 | H33 | 179.7° | 180.0° |
| H31 | C31 | C32 | C33 | 180.0° | 179.9° |
| H31 | C31 | C32 | H32 | 0.0° | 0.1° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | H34 | 179.4° | 180.0° |
| H32 | C32 | C33 | C34 | 179.6° | 180.0° |
| H32 | C32 | C33 | H33 | 0.3° | 0.0° |
| H33 | C33 | C34 | H34 | 0.6° | 0.0° |
| H7 | C7 | C8 | H8 | 0.7° | 0.0° |
| N9 | C10 | C14 | N11 | 174.5° | 179.6° |
| N9 | C10 | C14 | C13 | 174.3° | 180.0° |
| N9 | C10 | C14 | H14 | 5.7° | 0.2° |
| N9 | C10 | N11 | N12 | 174.5° | 180.0° |
| N9 | C10 | N11 | C15 | 3.0° | 0.2° |
| H9 | N9 | C10 | C14 | 138.1° | 179.9° |
| H9 | N9 | C10 | N11 | 35.6° | 0.6° |
| C10 | C14 | C13 | H14 | 180.0° | 179.8° |
| C10 | C14 | C13 | N12 | 0.2° | 0.2° |
| C10 | C14 | C13 | C16 | 179.3° | 179.7° |
| C14 | C10 | N11 | N12 | 0.1° | 0.3° |
| C14 | C10 | N11 | C15 | 177.7° | 179.8° |
| N11 | C10 | C14 | C13 | 0.2° | 0.3° |
| N11 | C10 | C14 | H14 | 179.8° | 179.9° |
| C10 | N11 | N12 | C13 | 0.0° | 0.2° |
| C10 | N11 | N12 | C15 | 177.6° | 179.8° |
| C10 | N11 | C15 | C20 | 130.6° | 139.8° |
| C10 | N11 | C15 | C24 | 47.5° | 40.2° |
| C14 | C13 | N12 | C16 | 179.5° | 179.9° |
| C14 | C13 | N12 | N11 | 0.1° | 0.0° |
| C14 | C13 | C16 | C17 | 50.0° | 179.9° |
| C14 | C13 | C16 | C18 | 169.6° | 59.9° |
| C14 | C13 | C16 | C19 | 71.3° | 60.1° |
| H14 | C14 | C13 | N12 | 179.8° | 180.0° |
| H14 | C14 | C13 | C16 | 0.7° | 0.1° |
| C13 | N12 | N11 | C15 | 177.6° | 179.9° |
| N12 | C13 | C16 | C17 | 130.5° | 0.1° |
| N12 | C13 | C16 | C18 | 10.9° | 119.9° |
| N12 | C13 | C16 | C19 | 108.1° | 120.0° |
| C16 | C13 | N12 | N11 | 179.4° | 179.9° |
| C13 | C16 | C17 | C18 | 124.5° | 120.0° |
| C13 | C16 | C17 | C19 | 125.7° | 120.0° |
| C13 | C16 | C17 | H171 | 54.7° | 180.0° |
| C13 | C16 | C17 | H172 | 180.0° | 60.0° |
| C13 | C16 | C17 | H173 | 54.7° | 60.0° |
| C13 | C16 | C18 | C19 | 124.1° | 120.0° |
| C13 | C16 | C18 | H181 | 54.7° | 60.0° |
| C13 | C16 | C18 | H182 | 180.0° | 60.0° |
| C13 | C16 | C18 | H183 | 54.7° | 180.0° |
| C13 | C16 | C19 | H191 | 54.7° | 60.0° |
| C13 | C16 | C19 | H192 | 180.0° | 179.9° |
| C13 | C16 | C19 | H193 | 54.7° | 60.0° |
| N12 | N11 | C15 | C20 | 46.5° | 40.0° |
| N12 | N11 | C15 | C24 | 135.3° | 140.0° |
| N11 | C15 | C20 | C24 | 178.2° | 180.0° |
| N11 | C15 | C20 | C21 | 177.8° | 180.0° |
| N11 | C15 | C20 | H20 | 2.2° | 0.0° |
| N11 | C15 | C24 | C23 | 177.8° | 179.7° |
| N11 | C15 | C24 | H24 | 2.2° | 0.0° |
| C15 | C20 | C21 | H20 | 180.0° | 179.9° |
| C15 | C20 | C21 | C22 | 0.2° | 0.1° |
| C15 | C20 | C21 | H21 | 179.8° | 179.9° |
| C20 | C15 | C24 | C23 | 0.3° | 0.3° |
| C20 | C15 | C24 | H24 | 179.7° | 180.0° |
| C24 | C15 | C20 | C21 | 0.4° | 0.0° |
| C24 | C15 | C20 | H20 | 179.6° | 180.0° |
| C15 | C24 | C23 | C22 | 0.1° | 0.5° |
| C15 | C24 | C23 | H24 | 180.0° | 179.8° |
| C15 | C24 | C23 | H23 | 179.9° | 180.0° |
| C16 | C17 | H171 | H172 | 127.8° | 120.0° |
| C16 | C17 | H171 | H173 | 116.1° | 120.0° |
| C16 | C17 | H172 | H173 | 125.3° | 120.0° |
| C17 | C16 | C18 | C19 | 110.5° | 120.0° |
| C17 | C16 | C18 | H181 | 70.7° | 60.0° |
| C17 | C16 | C18 | H182 | 54.6° | 180.0° |
| C17 | C16 | C18 | H183 | 179.9° | 60.0° |
| C17 | C16 | C19 | H191 | 178.8° | 59.9° |
| C17 | C16 | C19 | H192 | 53.6° | 60.0° |
| C17 | C16 | C19 | H193 | 71.7° | 180.0° |
| H171 | C17 | H172 | H173 | 109.4° | 120.0° |
| H171 | C17 | C16 | C18 | 179.2° | 60.0° |
| H171 | C17 | C16 | C19 | 71.0° | 60.0° |
| H172 | C17 | C16 | C18 | 55.5° | 180.0° |
| H172 | C17 | C16 | C19 | 54.3° | 60.0° |
| H173 | C17 | C16 | C18 | 69.7° | 60.0° |
| H173 | C17 | C16 | C19 | 179.6° | 180.0° |
| C16 | C18 | H181 | H182 | 126.6° | 120.0° |
| C16 | C18 | H181 | H183 | 116.7° | 120.0° |
| C16 | C18 | H182 | H183 | 125.3° | 120.0° |
| C18 | C16 | C19 | H191 | 69.2° | 180.0° |
| C18 | C16 | C19 | H192 | 56.1° | 60.0° |
| C18 | C16 | C19 | H193 | 178.6° | 60.0° |
| H181 | C18 | H182 | H183 | 109.5° | 120.0° |
| H181 | C18 | C16 | C19 | 178.8° | 180.0° |
| H182 | C18 | C16 | C19 | 55.9° | 60.0° |
| H183 | C18 | C16 | C19 | 69.4° | 60.0° |
| C16 | C19 | H191 | H192 | 126.9° | 119.9° |
| C16 | C19 | H191 | H193 | 116.6° | 120.0° |
| C16 | C19 | H192 | H193 | 125.3° | 120.0° |
| H191 | C19 | H192 | H193 | 109.5° | 120.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.2° |
| C20 | C21 | C22 | C25 | 179.2° | 180.0° |
| H20 | C20 | C21 | C22 | 179.8° | 180.0° |
| H20 | C20 | C21 | H21 | 0.2° | 0.0° |
| C21 | C22 | C23 | C25 | 179.2° | 179.7° |
| C21 | C22 | C23 | C24 | 0.1° | 0.5° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C21 | C22 | C25 | H251 | 54.7° | 90.0° |
| C21 | C22 | C25 | H252 | 180.0° | 150.0° |
| C21 | C22 | C25 | H253 | 54.7° | 30.1° |
| H21 | C21 | C22 | C23 | 179.9° | 179.8° |
| H21 | C21 | C22 | C25 | 0.8° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.4° |
| C22 | C23 | C24 | H24 | 179.9° | 179.7° |
| C23 | C22 | C25 | H251 | 124.5° | 90.3° |
| C23 | C22 | C25 | H252 | 0.8° | 29.7° |
| C23 | C22 | C25 | H253 | 126.0° | 149.7° |
| C25 | C22 | C23 | C24 | 179.1° | 179.7° |
| C25 | C22 | C23 | H23 | 0.9° | 0.3° |
| C22 | C25 | H251 | H252 | 131.4° | 120.0° |
| C22 | C25 | H251 | H253 | 114.3° | 120.0° |
| C22 | C25 | H252 | H253 | 125.3° | 120.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.3° |
| H251 | C25 | H252 | H253 | 109.5° | 120.0° |
| O41 | C42 | C43 | H421 | 125.2° | 120.0° |
| O41 | C42 | C43 | H422 | 125.2° | 120.0° |
| O41 | C42 | H421 | H422 | 118.7° | 120.0° |
| O41 | C42 | C43 | N44 | 100.0° | 60.0° |
| O41 | C42 | C43 | H431 | 25.3° | 180.0° |
| O41 | C42 | C43 | H432 | 134.7° | 60.0° |
| C43 | C42 | H421 | H422 | 118.8° | 120.0° |
| C42 | C43 | N44 | H431 | 125.3° | 120.1° |
| C42 | C43 | N44 | H432 | 125.3° | 120.0° |
| C42 | C43 | H431 | H432 | 115.9° | 120.0° |
| C42 | C43 | N44 | C45 | 67.1° | 180.0° |
| C42 | C43 | N44 | C49 | 171.7° | 66.3° |
| H421 | C42 | C43 | N44 | 134.7° | 60.0° |
| H421 | C42 | C43 | H431 | 100.0° | 60.0° |
| H421 | C42 | C43 | H432 | 9.5° | 180.0° |
| H422 | C42 | C43 | N44 | 25.2° | 180.0° |
| H422 | C42 | C43 | H431 | 150.5° | 60.0° |
| H422 | C42 | C43 | H432 | 100.0° | 60.0° |
| N44 | C43 | H431 | H432 | 115.9° | 119.9° |
| C43 | N44 | C45 | C49 | 116.7° | 113.7° |
| C43 | N44 | C45 | C46 | 143.6° | 173.0° |
| C43 | N44 | C45 | H451 | 91.1° | 53.0° |
| C43 | N44 | C45 | H452 | 18.4° | 67.0° |
| C43 | N44 | C49 | C48 | 143.4° | 173.0° |
| C43 | N44 | C49 | H491 | 18.2° | 66.9° |
| C43 | N44 | C49 | H492 | 91.3° | 53.0° |
| H431 | C43 | N44 | C45 | 58.1° | 59.9° |
| H431 | C43 | N44 | C49 | 63.0° | 53.8° |
| H432 | C43 | N44 | C45 | 167.6° | 60.0° |
| H432 | C43 | N44 | C49 | 46.4° | 173.7° |
| N44 | C45 | C46 | H451 | 125.2° | 120.0° |
| N44 | C45 | C46 | H452 | 125.3° | 120.0° |
| N44 | C45 | H451 | H452 | 115.9° | 120.0° |
| N44 | C45 | C46 | O47 | 50.4° | 62.9° |
| N44 | C45 | C46 | H461 | 74.9° | 177.1° |
| N44 | C45 | C46 | H462 | 175.7° | 57.2° |
| C45 | N44 | C49 | C48 | 25.1° | 59.3° |
| C45 | N44 | C49 | H491 | 100.2° | 179.3° |
| C45 | N44 | C49 | H492 | 150.3° | 60.7° |
| C49 | N44 | C45 | C46 | 26.9° | 59.3° |
| C49 | N44 | C45 | H451 | 152.1° | 60.7° |
| C49 | N44 | C45 | H452 | 98.3° | 179.3° |
| N44 | C49 | C48 | O47 | 46.0° | 62.9° |
| N44 | C49 | C48 | H491 | 125.3° | 120.0° |
| N44 | C49 | C48 | H492 | 125.3° | 120.1° |
| N44 | C49 | C48 | H481 | 79.3° | 177.0° |
| N44 | C49 | C48 | H482 | 171.3° | 57.2° |
| N44 | C49 | H491 | H492 | 114.9° | 120.0° |
| C46 | C45 | H451 | H452 | 115.9° | 120.0° |
| C45 | C46 | O47 | H461 | 125.3° | 120.0° |
| C45 | C46 | O47 | H462 | 125.3° | 120.0° |
| C45 | C46 | H461 | H462 | 117.6° | 119.9° |
| C45 | C46 | O47 | C48 | 69.6° | 63.2° |
| H451 | C45 | C46 | O47 | 175.6° | 57.1° |
| H451 | C45 | C46 | H461 | 50.3° | 62.9° |
| H451 | C45 | C46 | H462 | 59.1° | 177.2° |
| H452 | C45 | C46 | O47 | 74.9° | 177.1° |
| H452 | C45 | C46 | H461 | 159.9° | 57.1° |
| H452 | C45 | C46 | H462 | 50.4° | 62.9° |
| O47 | C46 | H461 | H462 | 117.6° | 119.9° |
| C46 | O47 | C48 | C49 | 66.5° | 63.2° |
| C46 | O47 | C48 | H481 | 58.8° | 176.8° |
| C46 | O47 | C48 | H482 | 168.2° | 56.9° |
| H461 | C46 | O47 | C48 | 55.7° | 176.8° |
| H462 | C46 | O47 | C48 | 165.1° | 56.9° |
| O47 | C48 | C49 | H481 | 125.3° | 120.1° |
| O47 | C48 | C49 | H482 | 125.3° | 120.1° |
| O47 | C48 | H481 | H482 | 117.6° | 119.9° |
| O47 | C48 | C49 | H491 | 79.3° | 177.1° |
| O47 | C48 | C49 | H492 | 171.2° | 57.2° |
| C49 | C48 | H481 | H482 | 117.7° | 119.8° |
| C48 | C49 | H491 | H492 | 114.9° | 120.0° |
| H481 | C48 | C49 | H491 | 155.4° | 57.0° |
| H481 | C48 | C49 | H492 | 45.9° | 62.9° |
| H482 | C48 | C49 | H491 | 46.0° | 62.8° |
| H482 | C48 | C49 | H492 | 63.5° | 177.3° |
