AP1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O43 | sing | 1.34Å | 1.35Å | |
| C1 | O44 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | N7 | sing | 1.47Å | 1.51Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H41A | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | N7 | sing | 1.47Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | N7 | sing | 1.35Å | 1.35Å | |
| C8 | O45 | doub | 1.21Å | 1.21Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C46 | sing | 1.53Å | 1.55Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C47 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | O17 | sing | 1.36Å | 1.40Å | |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | O48 | sing | 1.36Å | 1.39Å | |
| C14 | O15 | sing | 1.36Å | 1.40Å | |
| C14 | C47 | doub | 1.39Å | 1.40Å | Aromatic |
| O15 | C18 | sing | 1.43Å | 1.45Å | |
| C16 | C46 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| O17 | C20 | sing | 1.43Å | 1.44Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| C19 | O48 | sing | 1.43Å | 1.44Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C21 | O50 | sing | 1.43Å | 1.45Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | O43 | sing | 1.45Å | 1.45Å | |
| C26 | H26 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | doub | 1.39Å | 1.43Å | Aromatic |
| C31 | O49 | sing | 1.36Å | 1.41Å | |
| C32 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | O50 | sing | 1.36Å | 1.42Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | O36 | sing | 1.36Å | 1.39Å | |
| C35 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| O36 | C37 | sing | 1.43Å | 1.44Å | |
| C37 | C38 | sing | 1.51Å | 1.50Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | O39 | doub | 1.21Å | 1.26Å | |
| C38 | O40 | sing | 1.34Å | 1.25Å | |
| O40 | H40 | sing | 0.97Å | 0.95Å | |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | O49 | sing | 1.43Å | 1.44Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å | |
| C46 | H461 | sing | 1.09Å | 1.12Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C47 | H47 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O43 | 115.5° | 120.1° |
| C2 | C1 | O44 | 120.0° | 119.9° |
| C1 | C2 | C3 | 117.3° | 109.6° |
| C1 | C2 | N7 | 109.5° | 109.8° |
| C1 | C2 | H2 | 103.7° | 109.6° |
| O43 | C1 | O44 | 124.5° | 120.0° |
| C1 | O43 | C26 | 119.1° | 120.0° |
| C3 | C2 | N7 | 108.9° | 109.0° |
| C3 | C2 | H2 | 104.4° | 109.6° |
| C2 | C3 | C4 | 109.6° | 109.4° |
| C2 | C3 | H31 | 112.1° | 109.5° |
| C2 | C3 | H32 | 112.2° | 109.4° |
| N7 | C2 | H2 | 113.0° | 109.3° |
| C2 | N7 | C6 | 119.1° | 118.7° |
| C2 | N7 | C8 | 121.3° | 120.7° |
| C4 | C3 | H31 | 112.2° | 109.5° |
| C4 | C3 | H32 | 112.2° | 109.5° |
| C3 | C4 | C5 | 108.8° | 109.5° |
| C3 | C4 | H41A | 112.4° | 109.5° |
| C3 | C4 | H42 | 112.5° | 109.4° |
| H31 | C3 | H32 | 98.3° | 109.5° |
| C5 | C4 | H41A | 112.5° | 109.5° |
| C5 | C4 | H42 | 112.5° | 109.5° |
| C4 | C5 | C6 | 110.8° | 109.3° |
| C4 | C5 | H51 | 111.7° | 109.5° |
| C4 | C5 | H52 | 111.7° | 109.5° |
| H41A | C4 | H42 | 97.9° | 109.5° |
| C6 | C5 | H51 | 111.7° | 109.5° |
| C6 | C5 | H52 | 111.7° | 109.5° |
| C5 | C6 | N7 | 113.5° | 108.8° |
| C5 | C6 | H61 | 110.7° | 109.6° |
| C5 | C6 | H62 | 110.7° | 109.6° |
| H51 | C5 | H52 | 98.7° | 109.6° |
| N7 | C6 | H61 | 110.7° | 109.6° |
| N7 | C6 | H62 | 110.7° | 109.6° |
| C6 | N7 | C8 | 119.6° | 120.6° |
| H61 | C6 | H62 | 99.6° | 109.7° |
| C9 | C8 | N7 | 120.4° | 120.0° |
| C9 | C8 | O45 | 118.2° | 120.0° |
| C8 | C9 | C10 | 110.2° | 109.4° |
| C8 | C9 | C46 | 110.4° | 109.5° |
| C8 | C9 | H9 | 109.1° | 109.5° |
| N7 | C8 | O45 | 121.3° | 120.0° |
| C10 | C9 | C46 | 111.6° | 109.5° |
| C10 | C9 | H9 | 107.9° | 109.5° |
| C9 | C10 | C11 | 120.1° | 120.0° |
| C9 | C10 | C47 | 120.7° | 119.9° |
| C46 | C9 | H9 | 107.6° | 109.4° |
| C9 | C46 | C16 | 112.3° | 109.4° |
| C9 | C46 | H461 | 111.1° | 109.5° |
| C9 | C46 | H462 | 111.2° | 109.5° |
| C11 | C10 | C47 | 119.2° | 120.1° |
| C10 | C11 | C12 | 120.5° | 120.2° |
| C10 | C11 | H11 | 120.0° | 119.9° |
| C10 | C47 | C14 | 120.8° | 120.1° |
| C10 | C47 | H47 | 120.0° | 119.9° |
| C12 | C11 | H11 | 119.6° | 119.9° |
| C11 | C12 | C13 | 118.9° | 119.9° |
| C11 | C12 | O17 | 121.3° | 120.2° |
| C13 | C12 | O17 | 119.7° | 120.0° |
| C12 | C13 | C14 | 121.3° | 119.8° |
| C12 | C13 | O48 | 120.4° | 120.1° |
| C12 | O17 | C20 | 120.6° | 106.8° |
| C14 | C13 | O48 | 118.3° | 120.1° |
| C13 | C14 | O15 | 118.4° | 120.1° |
| C13 | C14 | C47 | 119.1° | 119.9° |
| C13 | O48 | C19 | 113.6° | 106.8° |
| O15 | C14 | C47 | 122.5° | 120.0° |
| C14 | O15 | C18 | 121.0° | 106.8° |
| C14 | C47 | H47 | 119.2° | 120.0° |
| O15 | C18 | H181 | 121.0° | 109.4° |
| O15 | C18 | H182 | 108.0° | 109.5° |
| O15 | C18 | H183 | 108.1° | 109.5° |
| C46 | C16 | H161 | 112.3° | 109.5° |
| C46 | C16 | H162 | 111.1° | 109.5° |
| C46 | C16 | H163 | 111.2° | 109.5° |
| C16 | C46 | H461 | 111.1° | 109.5° |
| C16 | C46 | H462 | 111.2° | 109.5° |
| H161 | C16 | H162 | 111.2° | 109.5° |
| H161 | C16 | H163 | 111.1° | 109.5° |
| H162 | C16 | H163 | 99.2° | 109.5° |
| O17 | C20 | H201 | 120.6° | 109.5° |
| O17 | C20 | H202 | 108.3° | 109.4° |
| O17 | C20 | H203 | 108.2° | 109.5° |
| H181 | C18 | H182 | 108.1° | 109.4° |
| H181 | C18 | H183 | 108.1° | 109.4° |
| H182 | C18 | H183 | 101.9° | 109.6° |
| O48 | C19 | H191 | 113.6° | 109.5° |
| O48 | C19 | H192 | 110.7° | 109.5° |
| O48 | C19 | H193 | 110.7° | 109.5° |
| H191 | C19 | H192 | 110.7° | 109.5° |
| H191 | C19 | H193 | 110.7° | 109.4° |
| H192 | C19 | H193 | 99.7° | 109.5° |
| H201 | C20 | H202 | 108.2° | 109.5° |
| H201 | C20 | H203 | 108.2° | 109.5° |
| H202 | C20 | H203 | 101.7° | 109.5° |
| O50 | C21 | H211 | 123.0° | 109.5° |
| O50 | C21 | H212 | 107.4° | 109.4° |
| O50 | C21 | H213 | 107.4° | 109.5° |
| C21 | O50 | C32 | 123.0° | 106.8° |
| H211 | C21 | H212 | 107.3° | 109.5° |
| H211 | C21 | H213 | 107.4° | 109.5° |
| H212 | C21 | H213 | 102.4° | 109.5° |
| C23 | C22 | C25 | 121.3° | 120.1° |
| C23 | C22 | H22 | 119.1° | 119.9° |
| C22 | C23 | C24 | 119.7° | 120.1° |
| C22 | C23 | H23 | 120.4° | 120.0° |
| C25 | C22 | H22 | 119.6° | 119.9° |
| C22 | C25 | C26 | 123.0° | 120.0° |
| C22 | C25 | C41 | 118.2° | 120.0° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | C35 | 120.0° | 119.9° |
| C23 | C24 | H24 | 119.4° | 120.0° |
| C35 | C24 | H24 | 120.5° | 120.1° |
| C24 | C35 | O36 | 122.8° | 120.0° |
| C24 | C35 | C41 | 119.4° | 119.9° |
| C26 | C25 | C41 | 118.7° | 120.0° |
| C25 | C26 | C27 | 113.5° | 109.5° |
| C25 | C26 | O43 | 103.4° | 109.4° |
| C25 | C26 | H26 | 111.6° | 109.5° |
| C25 | C41 | C35 | 121.3° | 120.0° |
| C25 | C41 | H41 | 119.2° | 120.0° |
| C27 | C26 | O43 | 111.6° | 109.4° |
| C27 | C26 | H26 | 103.5° | 109.5° |
| C26 | C27 | C28 | 113.2° | 109.5° |
| C26 | C27 | H271 | 110.8° | 109.5° |
| C26 | C27 | H272 | 110.8° | 109.5° |
| O43 | C26 | H26 | 113.6° | 109.5° |
| C28 | C27 | H271 | 110.8° | 109.4° |
| C28 | C27 | H272 | 110.8° | 109.5° |
| C27 | C28 | C29 | 115.3° | 109.5° |
| C27 | C28 | H281 | 110.1° | 109.5° |
| C27 | C28 | H282 | 110.1° | 109.5° |
| H271 | C27 | H272 | 99.5° | 109.4° |
| C29 | C28 | H281 | 110.0° | 109.5° |
| C29 | C28 | H282 | 110.1° | 109.4° |
| C28 | C29 | C30 | 118.4° | 120.0° |
| C28 | C29 | C34 | 122.9° | 119.9° |
| H281 | C28 | H282 | 100.2° | 109.5° |
| C30 | C29 | C34 | 118.8° | 120.1° |
| C29 | C30 | C31 | 121.3° | 120.0° |
| C29 | C30 | H30 | 119.3° | 120.0° |
| C29 | C34 | C33 | 121.2° | 120.2° |
| C29 | C34 | H34 | 119.2° | 119.9° |
| C31 | C30 | H30 | 119.3° | 119.9° |
| C30 | C31 | C32 | 119.6° | 119.8° |
| C30 | C31 | O49 | 120.5° | 120.1° |
| C32 | C31 | O49 | 119.9° | 120.0° |
| C31 | C32 | C33 | 118.3° | 119.9° |
| C31 | C32 | O50 | 121.0° | 120.1° |
| C31 | O49 | C42 | 120.3° | 106.8° |
| C33 | C32 | O50 | 120.7° | 120.0° |
| C32 | C33 | C34 | 120.8° | 120.0° |
| C32 | C33 | H33 | 119.9° | 120.0° |
| C34 | C33 | H33 | 119.3° | 120.0° |
| C33 | C34 | H34 | 119.6° | 120.0° |
| O36 | C35 | C41 | 117.7° | 120.1° |
| C35 | O36 | C37 | 122.1° | 106.8° |
| C35 | C41 | H41 | 119.5° | 120.0° |
| O36 | C37 | C38 | 106.3° | 109.4° |
| O36 | C37 | H371 | 113.4° | 109.5° |
| O36 | C37 | H372 | 113.4° | 109.4° |
| C38 | C37 | H371 | 113.4° | 109.5° |
| C38 | C37 | H372 | 113.4° | 109.4° |
| C37 | C38 | O39 | 119.7° | 120.0° |
| C37 | C38 | O40 | 116.9° | 120.0° |
| H371 | C37 | H372 | 97.1° | 109.6° |
| O39 | C38 | O40 | 123.4° | 120.0° |
| C38 | O40 | H40 | 116.9° | 120.0° |
| O49 | C42 | H421 | 120.2° | 109.5° |
| O49 | C42 | H422 | 108.3° | 109.5° |
| O49 | C42 | H423 | 108.3° | 109.4° |
| H421 | C42 | H422 | 108.3° | 109.5° |
| H421 | C42 | H423 | 108.3° | 109.4° |
| H422 | C42 | H423 | 101.7° | 109.4° |
| H461 | C46 | H462 | 99.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O43 | O44 | 179.3° | 180.0° |
| C1 | C2 | C3 | N7 | 125.1° | 120.1° |
| C1 | C2 | C3 | H2 | 114.0° | 120.3° |
| C1 | C2 | N7 | H2 | 115.0° | 120.3° |
| C1 | C2 | C3 | C4 | 67.0° | 174.6° |
| C1 | C2 | C3 | H31 | 58.2° | 65.4° |
| C1 | C2 | C3 | H32 | 167.7° | 54.6° |
| C1 | C2 | N7 | C6 | 82.7° | 173.3° |
| C1 | C2 | N7 | C8 | 95.9° | 6.4° |
| C2 | C1 | O43 | C26 | 179.3° | 180.0° |
| O43 | C1 | C2 | C3 | 125.8° | 44.1° |
| O43 | C1 | C2 | N7 | 1.0° | 75.6° |
| O43 | C1 | C2 | H2 | 119.8° | 164.3° |
| C1 | O43 | C26 | C25 | 120.9° | 90.0° |
| C1 | O43 | C26 | C27 | 116.8° | 150.0° |
| C1 | O43 | C26 | H26 | 0.3° | 30.0° |
| O44 | C1 | C2 | C3 | 53.6° | 136.0° |
| O44 | C1 | C2 | N7 | 178.3° | 104.4° |
| O44 | C1 | C2 | H2 | 60.8° | 15.7° |
| O44 | C1 | O43 | C26 | 0.0° | 0.0° |
| C3 | C2 | N7 | H2 | 115.5° | 119.7° |
| C2 | C3 | C4 | H31 | 125.2° | 120.1° |
| C2 | C3 | C4 | H32 | 125.3° | 119.8° |
| C2 | C3 | H31 | H32 | 118.1° | 119.9° |
| C2 | C3 | C4 | C5 | 65.8° | 61.3° |
| C2 | C3 | C4 | H41A | 59.5° | 58.8° |
| C2 | C3 | C4 | H42 | 168.8° | 178.7° |
| C3 | C2 | N7 | C6 | 46.8° | 53.3° |
| C3 | C2 | N7 | C8 | 134.6° | 126.4° |
| N7 | C2 | C3 | C4 | 58.1° | 54.5° |
| N7 | C2 | C3 | H31 | 176.7° | 174.5° |
| N7 | C2 | C3 | H32 | 67.2° | 65.5° |
| C2 | N7 | C6 | C5 | 40.9° | 53.4° |
| C2 | N7 | C6 | C8 | 178.6° | 179.7° |
| C2 | N7 | C6 | H61 | 84.3° | 66.5° |
| C2 | N7 | C6 | H62 | 166.1° | 173.2° |
| C2 | N7 | C8 | C9 | 177.8° | 174.5° |
| C2 | N7 | C8 | O45 | 2.0° | 5.4° |
| H2 | C2 | C3 | C4 | 179.0° | 65.1° |
| H2 | C2 | C3 | H31 | 55.7° | 54.9° |
| H2 | C2 | C3 | H32 | 53.7° | 175.0° |
| H2 | C2 | N7 | C6 | 162.3° | 66.4° |
| H2 | C2 | N7 | C8 | 19.1° | 113.9° |
| C4 | C3 | H31 | H32 | 118.1° | 120.1° |
| C3 | C4 | C5 | H41A | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41A | H42 | 118.3° | 120.0° |
| C3 | C4 | C5 | C6 | 57.9° | 61.4° |
| C3 | C4 | C5 | H51 | 176.8° | 178.7° |
| C3 | C4 | C5 | H52 | 67.3° | 58.6° |
| H31 | C3 | C4 | C5 | 168.9° | 178.7° |
| H31 | C3 | C4 | H41A | 65.8° | 61.3° |
| H31 | C3 | C4 | H42 | 43.6° | 58.7° |
| H32 | C3 | C4 | C5 | 59.4° | 58.6° |
| H32 | C3 | C4 | H41A | 175.3° | 178.6° |
| H32 | C3 | C4 | H42 | 65.9° | 61.4° |
| C5 | C4 | H41A | H42 | 118.4° | 120.0° |
| C4 | C5 | C6 | H51 | 125.2° | 119.9° |
| C4 | C5 | C6 | H52 | 125.2° | 119.9° |
| C4 | C5 | H51 | H52 | 117.6° | 120.1° |
| C4 | C5 | C6 | N7 | 44.8° | 54.7° |
| C4 | C5 | C6 | H61 | 80.4° | 65.1° |
| C4 | C5 | C6 | H62 | 170.0° | 174.4° |
| H41A | C4 | C5 | C6 | 67.3° | 58.6° |
| H41A | C4 | C5 | H51 | 57.9° | 61.3° |
| H41A | C4 | C5 | H52 | 167.4° | 178.6° |
| H42 | C4 | C5 | C6 | 176.8° | 178.6° |
| H42 | C4 | C5 | H51 | 51.5° | 58.7° |
| H42 | C4 | C5 | H52 | 58.0° | 61.4° |
| C6 | C5 | H51 | H52 | 117.7° | 120.1° |
| C5 | C6 | N7 | H61 | 125.2° | 119.9° |
| C5 | C6 | N7 | H62 | 125.3° | 119.8° |
| C5 | C6 | H61 | H62 | 116.6° | 120.4° |
| C5 | C6 | N7 | C8 | 140.5° | 126.3° |
| H51 | C5 | C6 | N7 | 170.0° | 174.6° |
| H51 | C5 | C6 | H61 | 44.8° | 54.8° |
| H51 | C5 | C6 | H62 | 64.8° | 65.7° |
| H52 | C5 | C6 | N7 | 80.4° | 65.3° |
| H52 | C5 | C6 | H61 | 154.3° | 174.9° |
| H52 | C5 | C6 | H62 | 44.8° | 54.5° |
| N7 | C6 | H61 | H62 | 116.6° | 120.3° |
| C6 | N7 | C8 | C9 | 0.8° | 5.8° |
| C6 | N7 | C8 | O45 | 179.4° | 174.3° |
| H61 | C6 | N7 | C8 | 94.3° | 113.8° |
| H62 | C6 | N7 | C8 | 15.2° | 6.5° |
| C9 | C8 | N7 | O45 | 179.7° | 180.0° |
| C8 | C9 | C10 | C46 | 123.0° | 120.0° |
| C8 | C9 | C10 | H9 | 118.9° | 120.1° |
| C8 | C9 | C46 | H9 | 118.9° | 120.1° |
| C8 | C9 | C10 | C11 | 60.8° | 120.1° |
| C8 | C9 | C10 | C47 | 116.1° | 60.3° |
| C8 | C9 | C46 | C16 | 77.6° | 173.6° |
| C8 | C9 | C46 | H461 | 47.6° | 66.4° |
| C8 | C9 | C46 | H462 | 157.1° | 53.6° |
| N7 | C8 | C9 | C10 | 81.6° | 160.4° |
| N7 | C8 | C9 | C46 | 154.7° | 79.6° |
| N7 | C8 | C9 | H9 | 36.6° | 40.4° |
| O45 | C8 | C9 | C10 | 98.2° | 19.7° |
| O45 | C8 | C9 | C46 | 25.6° | 100.3° |
| O45 | C8 | C9 | H9 | 143.6° | 139.7° |
| C10 | C9 | C46 | H9 | 118.2° | 120.0° |
| C9 | C10 | C11 | C47 | 176.9° | 179.6° |
| C9 | C10 | C11 | C12 | 170.7° | 180.0° |
| C9 | C10 | C11 | H11 | 9.3° | 0.1° |
| C9 | C10 | C47 | C14 | 172.1° | 179.8° |
| C10 | C9 | C46 | C16 | 159.5° | 66.4° |
| C10 | C9 | C46 | H461 | 75.3° | 53.6° |
| C10 | C9 | C46 | H462 | 34.2° | 173.6° |
| C9 | C10 | C47 | H47 | 7.9° | 0.3° |
| C46 | C9 | C10 | C11 | 62.3° | 119.9° |
| C46 | C9 | C10 | C47 | 120.9° | 59.7° |
| C9 | C46 | C16 | H461 | 125.2° | 120.0° |
| C9 | C46 | C16 | H462 | 125.3° | 120.0° |
| C9 | C46 | C16 | H161 | 180.0° | 180.0° |
| C9 | C46 | C16 | H162 | 54.7° | 60.0° |
| C9 | C46 | C16 | H163 | 54.7° | 60.0° |
| C9 | C46 | H461 | H462 | 117.1° | 120.0° |
| H9 | C9 | C10 | C11 | 179.7° | 0.0° |
| H9 | C9 | C10 | C47 | 2.9° | 179.6° |
| H9 | C9 | C46 | C16 | 41.3° | 53.6° |
| H9 | C9 | C46 | H461 | 166.5° | 173.5° |
| H9 | C9 | C46 | H462 | 84.0° | 66.4° |
| C10 | C11 | C12 | H11 | 179.9° | 179.9° |
| C10 | C11 | C12 | C13 | 4.1° | 0.1° |
| C10 | C11 | C12 | O17 | 176.1° | 180.0° |
| C11 | C10 | C47 | C14 | 4.8° | 0.6° |
| C11 | C10 | C47 | H47 | 175.3° | 179.9° |
| C47 | C10 | C11 | C12 | 6.2° | 0.4° |
| C47 | C10 | C11 | H11 | 173.8° | 179.7° |
| C10 | C47 | C14 | C13 | 1.2° | 0.5° |
| C10 | C47 | C14 | O15 | 178.6° | 179.7° |
| C10 | C47 | C14 | H47 | 179.9° | 179.5° |
| C11 | C12 | C13 | O17 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | O48 | 179.4° | 179.9° |
| C11 | C12 | O17 | C20 | 0.1° | 0.0° |
| H11 | C11 | C12 | C13 | 176.0° | 180.0° |
| H11 | C11 | C12 | O17 | 3.8° | 0.1° |
| C12 | C13 | C14 | O48 | 179.8° | 179.9° |
| C12 | C13 | C14 | O15 | 179.1° | 180.0° |
| C12 | C13 | C14 | C47 | 1.0° | 0.2° |
| C13 | C12 | O17 | C20 | 179.7° | 180.0° |
| C12 | C13 | O48 | C19 | 89.5° | 90.0° |
| O17 | C12 | C13 | C14 | 179.8° | 180.0° |
| O17 | C12 | C13 | O48 | 0.4° | 0.0° |
| C12 | O17 | C20 | H201 | 180.0° | 180.0° |
| C12 | O17 | C20 | H202 | 54.7° | 60.0° |
| C12 | O17 | C20 | H203 | 54.7° | 60.0° |
| C13 | C14 | O15 | C47 | 179.8° | 179.8° |
| C13 | C14 | O15 | C18 | 168.8° | 180.0° |
| C14 | C13 | O48 | C19 | 90.3° | 90.0° |
| C13 | C14 | C47 | H47 | 178.9° | 180.0° |
| O48 | C13 | C14 | O15 | 0.7° | 0.0° |
| O48 | C13 | C14 | C47 | 179.2° | 179.7° |
| C13 | O48 | C19 | H191 | 180.0° | 180.0° |
| C13 | O48 | C19 | H192 | 54.7° | 60.0° |
| C13 | O48 | C19 | H193 | 54.8° | 60.1° |
| C14 | O15 | C18 | H181 | 180.0° | 180.0° |
| C14 | O15 | C18 | H182 | 54.8° | 60.1° |
| C14 | O15 | C18 | H183 | 54.7° | 60.1° |
| O15 | C14 | C47 | H47 | 1.3° | 0.2° |
| C47 | C14 | O15 | C18 | 11.1° | 0.2° |
| O15 | C18 | H181 | H182 | 125.2° | 120.0° |
| O15 | C18 | H181 | H183 | 125.3° | 120.0° |
| O15 | C18 | H182 | H183 | 113.7° | 120.1° |
| C46 | C16 | H161 | H162 | 125.3° | 120.0° |
| C46 | C16 | H161 | H163 | 125.3° | 120.0° |
| C46 | C16 | H162 | H163 | 117.0° | 120.0° |
| C16 | C46 | H461 | H462 | 117.0° | 120.0° |
| H161 | C16 | H162 | H163 | 117.0° | 120.0° |
| H161 | C16 | C46 | H461 | 54.7° | 60.0° |
| H161 | C16 | C46 | H462 | 54.7° | 60.0° |
| H162 | C16 | C46 | H461 | 179.9° | 60.0° |
| H162 | C16 | C46 | H462 | 70.6° | 180.0° |
| H163 | C16 | C46 | H461 | 70.5° | NaN° |
| H163 | C16 | C46 | H462 | 180.0° | 60.0° |
| O17 | C20 | H201 | H202 | 125.3° | 120.0° |
| O17 | C20 | H201 | H203 | 125.3° | 120.0° |
| O17 | C20 | H202 | H203 | 113.9° | 120.0° |
| H181 | C18 | H182 | H183 | 113.8° | 120.0° |
| O48 | C19 | H191 | H192 | 125.3° | 120.1° |
| O48 | C19 | H191 | H193 | 125.2° | 120.0° |
| O48 | C19 | H192 | H193 | 116.5° | 120.0° |
| H191 | C19 | H192 | H193 | 116.5° | 119.9° |
| H201 | C20 | H202 | H203 | 113.8° | 120.0° |
| O50 | C21 | H211 | H212 | 125.2° | 119.9° |
| O50 | C21 | H211 | H213 | 125.3° | 120.0° |
| O50 | C21 | H212 | H213 | 113.0° | 120.0° |
| C21 | O50 | C32 | C31 | 36.4° | 180.0° |
| C21 | O50 | C32 | C33 | 144.1° | 0.0° |
| H211 | C21 | H212 | H213 | 112.9° | 120.1° |
| H211 | C21 | O50 | C32 | 180.0° | 180.0° |
| H212 | C21 | O50 | C32 | 54.8° | 60.0° |
| H213 | C21 | O50 | C32 | 54.8° | 60.0° |
| C23 | C22 | C25 | H22 | 180.0° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C35 | 0.1° | 0.0° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| C23 | C22 | C25 | C26 | 178.6° | 180.0° |
| C23 | C22 | C25 | C41 | 0.1° | 0.3° |
| C25 | C22 | C23 | C24 | 0.2° | 0.0° |
| C25 | C22 | C23 | H23 | 179.8° | 180.0° |
| C22 | C25 | C26 | C41 | 178.5° | 179.8° |
| C22 | C25 | C26 | C27 | 51.0° | 89.9° |
| C22 | C25 | C26 | O43 | 70.0° | 30.0° |
| C22 | C25 | C26 | H26 | 167.5° | 150.0° |
| C22 | C25 | C41 | C35 | 0.1° | 0.5° |
| C22 | C25 | C41 | H41 | 179.9° | 179.9° |
| H22 | C22 | C23 | C24 | 179.8° | 179.9° |
| H22 | C22 | C23 | H23 | 0.2° | 0.1° |
| H22 | C22 | C25 | C26 | 1.4° | 0.1° |
| H22 | C22 | C25 | C41 | 179.9° | 179.8° |
| C23 | C24 | C35 | H24 | 180.0° | 179.9° |
| C23 | C24 | C35 | O36 | 179.2° | 180.0° |
| C23 | C24 | C35 | C41 | 0.1° | 0.3° |
| H23 | C23 | C24 | C35 | 179.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
| C24 | C35 | C41 | C25 | 0.2° | 0.5° |
| C24 | C35 | O36 | C41 | 179.3° | 179.7° |
| C24 | C35 | O36 | C37 | 12.3° | 0.1° |
| C24 | C35 | C41 | H41 | 179.8° | 179.9° |
| H24 | C24 | C35 | O36 | 0.8° | 0.1° |
| H24 | C24 | C35 | C41 | 179.9° | 179.8° |
| C25 | C26 | C27 | O43 | 116.3° | 119.9° |
| C25 | C26 | C27 | H26 | 121.2° | 120.1° |
| C25 | C26 | O43 | H26 | 121.1° | 120.0° |
| C25 | C26 | C27 | C28 | 81.7° | 180.0° |
| C25 | C26 | C27 | H271 | 43.6° | 60.1° |
| C25 | C26 | C27 | H272 | 153.1° | 59.9° |
| C26 | C25 | C41 | C35 | 178.5° | 179.7° |
| C26 | C25 | C41 | H41 | 1.6° | 0.1° |
| C41 | C25 | C26 | C27 | 130.5° | 89.8° |
| C41 | C25 | C26 | O43 | 108.5° | 150.2° |
| C41 | C25 | C26 | H26 | 14.0° | 30.2° |
| C25 | C41 | C35 | O36 | 179.2° | 179.8° |
| C25 | C41 | C35 | H41 | 180.0° | 179.6° |
| C27 | C26 | O43 | H26 | 116.5° | 120.0° |
| C26 | C27 | C28 | H271 | 125.3° | 120.0° |
| C26 | C27 | C28 | H272 | 125.2° | 120.1° |
| C26 | C27 | H271 | H272 | 116.7° | 120.0° |
| C26 | C27 | C28 | C29 | 53.0° | 179.9° |
| C26 | C27 | C28 | H281 | 72.2° | 60.1° |
| C26 | C27 | C28 | H282 | 178.3° | 60.0° |
| O43 | C26 | C27 | C28 | 162.0° | 60.0° |
| O43 | C26 | C27 | H271 | 72.8° | 180.0° |
| O43 | C26 | C27 | H272 | 36.7° | 60.0° |
| H26 | C26 | C27 | C28 | 39.5° | 60.0° |
| H26 | C26 | C27 | H271 | 164.7° | 60.0° |
| H26 | C26 | C27 | H272 | 85.7° | 180.0° |
| C28 | C27 | H271 | H272 | 116.7° | 120.0° |
| C27 | C28 | C29 | H281 | 125.3° | 120.0° |
| C27 | C28 | C29 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H282 | 116.0° | 120.0° |
| C27 | C28 | C29 | C30 | 87.9° | 90.3° |
| C27 | C28 | C29 | C34 | 92.2° | 90.0° |
| H271 | C27 | C28 | C29 | 178.3° | 59.9° |
| H271 | C27 | C28 | H281 | 53.1° | 179.9° |
| H271 | C27 | C28 | H282 | 56.5° | 60.0° |
| H272 | C27 | C28 | C29 | 72.2° | 60.0° |
| H272 | C27 | C28 | H281 | 162.6° | 60.0° |
| H272 | C27 | C28 | H282 | 53.1° | 179.9° |
| C29 | C28 | H281 | H282 | 115.9° | 120.0° |
| C28 | C29 | C30 | C34 | 179.9° | 179.7° |
| C28 | C29 | C30 | C31 | 179.7° | 179.8° |
| C28 | C29 | C30 | H30 | 0.3° | 0.3° |
| C28 | C29 | C34 | C33 | 179.7° | 180.0° |
| C28 | C29 | C34 | H34 | 0.3° | 0.0° |
| H281 | C28 | C29 | C30 | 146.9° | 149.7° |
| H281 | C28 | C29 | C34 | 33.1° | 30.0° |
| H282 | C28 | C29 | C30 | 37.4° | 29.7° |
| H282 | C28 | C29 | C34 | 142.5° | 150.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.5° |
| C29 | C30 | C31 | C32 | 0.3° | 0.5° |
| C29 | C30 | C31 | O49 | 179.9° | 179.8° |
| C30 | C29 | C34 | C33 | 0.2° | 0.3° |
| C30 | C29 | C34 | H34 | 179.8° | 179.7° |
| C34 | C29 | C30 | C31 | 0.3° | 0.5° |
| C34 | C29 | C30 | H30 | 179.8° | 180.0° |
| C29 | C34 | C33 | C32 | 0.1° | 0.0° |
| C29 | C34 | C33 | H34 | 180.0° | 180.0° |
| C29 | C34 | C33 | H33 | 179.9° | 180.0° |
| C30 | C31 | C32 | O49 | 179.8° | 179.7° |
| C30 | C31 | C32 | C33 | 0.2° | 0.3° |
| C30 | C31 | C32 | O50 | 179.7° | 179.7° |
| C30 | C31 | O49 | C42 | 23.7° | 0.3° |
| H30 | C30 | C31 | C32 | 179.8° | 180.0° |
| H30 | C30 | C31 | O49 | 0.1° | 0.3° |
| C31 | C32 | C33 | O50 | 179.5° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C31 | O49 | C42 | 156.1° | 180.0° |
| O49 | C31 | C32 | C33 | 180.0° | 180.0° |
| O49 | C31 | C32 | O50 | 0.5° | 0.0° |
| C31 | O49 | C42 | H421 | 180.0° | 179.9° |
| C31 | O49 | C42 | H422 | 54.7° | 60.0° |
| C31 | O49 | C42 | H423 | 54.8° | 60.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| O50 | C32 | C33 | C34 | 179.6° | 180.0° |
| O50 | C32 | C33 | H33 | 0.4° | 0.1° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
| C35 | O36 | C37 | C38 | 73.6° | 180.0° |
| C35 | O36 | C37 | H371 | 161.2° | 60.0° |
| C35 | O36 | C37 | H372 | 51.7° | 60.1° |
| O36 | C35 | C41 | H41 | 0.9° | 0.2° |
| C41 | C35 | O36 | C37 | 167.1° | 179.8° |
| O36 | C37 | C38 | H371 | 125.2° | 120.0° |
| O36 | C37 | C38 | H372 | 125.3° | 119.9° |
| O36 | C37 | H371 | H372 | 119.3° | 120.0° |
| O36 | C37 | C38 | O39 | 138.9° | 0.1° |
| O36 | C37 | C38 | O40 | 40.1° | 180.0° |
| C38 | C37 | H371 | H372 | 119.3° | 120.0° |
| C37 | C38 | O39 | O40 | 178.9° | 180.0° |
| C37 | C38 | O40 | H40 | 180.0° | 180.0° |
| H371 | C37 | C38 | O39 | 95.9° | 120.0° |
| H371 | C37 | C38 | O40 | 85.2° | 60.0° |
| H372 | C37 | C38 | O39 | 13.6° | 120.0° |
| H372 | C37 | C38 | O40 | 165.3° | 60.1° |
| O39 | C38 | O40 | H40 | 1.1° | 0.0° |
| O49 | C42 | H421 | H422 | 125.2° | 120.1° |
| O49 | C42 | H421 | H423 | 125.2° | 119.9° |
| O49 | C42 | H422 | H423 | 114.0° | 119.9° |
| H421 | C42 | H422 | H423 | 114.0° | 120.0° |
