AQZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| O2 | C3 | sing | 1.36Å | 1.40Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | N6 | doub | 1.34Å | 1.33Å | Aromatic |
| C5 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| N6 | C7 | sing | 1.35Å | 1.32Å | Aromatic |
| C7 | N8 | doub | 1.34Å | 1.34Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| N8 | C9 | sing | 1.35Å | 1.34Å | Aromatic |
| C9 | N10 | sing | 1.42Å | 1.41Å | |
| C9 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.40Å | 1.40Å | |
| N10 | H10 | sing | 1.01Å | 1.02Å | |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C31 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | N14 | sing | 1.40Å | 1.41Å | |
| C13 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| N14 | C15 | sing | 1.41Å | 1.38Å | |
| N14 | H14 | sing | 1.03Å | 1.02Å | |
| C15 | O16 | doub | 1.23Å | 1.25Å | |
| C15 | C17 | sing | 1.47Å | 1.51Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | N20 | doub | 1.35Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | C21 | sing | 1.35Å | 1.35Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | N23 | sing | 1.40Å | 1.42Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| N23 | C24 | sing | 1.47Å | 1.49Å | |
| N23 | C28 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.52Å | 1.56Å | |
| C24 | H241 | sing | 1.10Å | 1.12Å | |
| C24 | H242 | sing | 1.10Å | 1.11Å | |
| C25 | O26 | sing | 1.43Å | 1.43Å | |
| C25 | H251 | sing | 1.10Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| O26 | C27 | sing | 1.43Å | 1.44Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.10Å | 1.11Å | |
| C28 | H281 | sing | 1.10Å | 1.11Å | |
| C28 | H282 | sing | 1.10Å | 1.11Å | |
| C29 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.49Å | 1.52Å | |
| C32 | H321 | sing | 1.10Å | 1.11Å | |
| C32 | H322 | sing | 1.10Å | 1.12Å | |
| C32 | H323 | sing | 1.10Å | 1.12Å | |
| C33 | C34 | sing | 1.40Å | 1.42Å | Aromatic |
| C34 | C35 | doub | 1.39Å | 1.43Å | Aromatic |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C35 | O36 | sing | 1.37Å | 1.36Å | |
| O36 | C37 | sing | 1.42Å | 1.43Å | |
| C37 | C38 | sing | 1.52Å | 1.55Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | N39 | sing | 1.47Å | 1.47Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| N39 | C40 | sing | 1.46Å | 1.47Å | |
| N39 | C43 | sing | 1.46Å | 1.47Å | |
| C40 | C41 | sing | 1.52Å | 1.52Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.10Å | 1.12Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H411 | sing | 1.10Å | 1.12Å | |
| C41 | H412 | sing | 1.10Å | 1.11Å | |
| C42 | C43 | sing | 1.52Å | 1.54Å | |
| C42 | H421 | sing | 1.10Å | 1.12Å | |
| C42 | H422 | sing | 1.10Å | 1.12Å | |
| C43 | H431 | sing | 1.10Å | 1.12Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | H11 | 108.4° | 109.5° |
| O2 | C1 | H12A | 120.1° | 109.6° |
| O2 | C1 | H13 | 108.4° | 109.0° |
| C1 | O2 | C3 | 120.1° | 117.0° |
| H11 | C1 | H12A | 108.4° | 110.1° |
| H11 | C1 | H13 | 101.6° | 109.3° |
| H12A | C1 | H13 | 108.4° | 109.4° |
| O2 | C3 | C4 | 126.9° | 119.3° |
| O2 | C3 | C35 | 115.1° | 120.9° |
| C4 | C3 | C35 | 118.0° | 119.8° |
| C3 | C4 | C5 | 122.1° | 121.6° |
| C3 | C4 | H4 | 119.7° | 119.0° |
| C3 | C35 | C34 | 121.3° | 120.2° |
| C3 | C35 | O36 | 113.3° | 120.4° |
| C5 | C4 | H4 | 118.2° | 119.4° |
| C4 | C5 | N6 | 116.8° | 120.8° |
| C4 | C5 | C33 | 120.0° | 117.8° |
| N6 | C5 | C33 | 123.2° | 121.4° |
| C5 | N6 | C7 | 116.9° | 116.7° |
| C5 | C33 | C9 | 114.6° | 116.1° |
| C5 | C33 | C34 | 120.0° | 121.0° |
| N6 | C7 | N8 | 125.4° | 127.1° |
| N6 | C7 | H7 | 116.7° | 116.3° |
| N8 | C7 | H7 | 117.8° | 116.6° |
| C7 | N8 | C9 | 117.1° | 114.7° |
| N8 | C9 | N10 | 118.4° | 116.7° |
| N8 | C9 | C33 | 122.7° | 123.9° |
| N10 | C9 | C33 | 118.8° | 119.4° |
| C9 | N10 | C11 | 125.9° | 132.5° |
| C9 | N10 | H10 | 106.5° | 113.3° |
| C9 | C33 | C34 | 125.4° | 122.9° |
| C11 | N10 | H10 | 106.4° | 114.3° |
| N10 | C11 | C12 | 120.0° | 119.5° |
| N10 | C11 | C31 | 119.7° | 121.0° |
| C12 | C11 | C31 | 120.4° | 119.4° |
| C11 | C12 | C13 | 119.7° | 120.3° |
| C11 | C12 | H12 | 120.1° | 119.7° |
| C11 | C31 | C30 | 118.0° | 120.2° |
| C11 | C31 | C32 | 125.6° | 120.9° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C12 | C13 | N14 | 119.1° | 120.0° |
| C12 | C13 | C29 | 119.2° | 120.0° |
| N14 | C13 | C29 | 121.7° | 120.0° |
| C13 | N14 | C15 | 126.0° | 128.5° |
| C13 | N14 | H14 | 106.4° | 115.7° |
| C13 | C29 | C30 | 121.2° | 120.0° |
| C13 | C29 | H29 | 119.9° | 120.6° |
| C15 | N14 | H14 | 106.4° | 115.8° |
| N14 | C15 | O16 | 124.8° | 123.9° |
| N14 | C15 | C17 | 116.1° | 115.1° |
| O16 | C15 | C17 | 119.0° | 121.0° |
| C15 | C17 | C18 | 126.6° | 119.4° |
| C15 | C17 | C22 | 114.8° | 119.5° |
| C18 | C17 | C22 | 118.5° | 121.1° |
| C17 | C18 | C19 | 117.5° | 117.2° |
| C17 | C18 | H18 | 121.7° | 122.3° |
| C17 | C22 | C21 | 121.3° | 117.2° |
| C17 | C22 | H22 | 118.9° | 121.5° |
| C19 | C18 | H18 | 120.8° | 120.5° |
| C18 | C19 | N20 | 123.3° | 124.0° |
| C18 | C19 | H19 | 119.1° | 120.8° |
| N20 | C19 | H19 | 117.6° | 115.2° |
| C19 | N20 | C21 | 119.2° | 116.4° |
| N20 | C21 | C22 | 120.1° | 124.0° |
| N20 | C21 | N23 | 119.4° | 118.7° |
| C22 | C21 | N23 | 120.5° | 117.2° |
| C21 | C22 | H22 | 119.8° | 121.3° |
| C21 | N23 | C24 | 120.2° | 118.2° |
| C21 | N23 | C28 | 116.3° | 119.9° |
| C24 | N23 | C28 | 115.7° | 115.1° |
| N23 | C24 | C25 | 111.9° | 109.8° |
| N23 | C24 | H241 | 111.3° | 108.8° |
| N23 | C24 | H242 | 111.3° | 110.8° |
| N23 | C28 | C27 | 102.1° | 109.8° |
| N23 | C28 | H281 | 115.0° | 110.7° |
| N23 | C28 | H282 | 115.0° | 108.8° |
| C25 | C24 | H241 | 111.3° | 110.0° |
| C25 | C24 | H242 | 111.3° | 109.3° |
| C24 | C25 | O26 | 110.8° | 110.4° |
| C24 | C25 | H251 | 111.7° | 111.4° |
| C24 | C25 | H252 | 111.7° | 110.0° |
| H241 | C24 | H242 | 99.0° | 108.2° |
| O26 | C25 | H251 | 111.7° | 109.4° |
| O26 | C25 | H252 | 111.7° | 108.0° |
| C25 | O26 | C27 | 106.9° | 110.6° |
| H251 | C25 | H252 | 98.7° | 107.6° |
| O26 | C27 | C28 | 106.1° | 110.5° |
| O26 | C27 | H271 | 113.5° | 107.9° |
| O26 | C27 | H272 | 113.5° | 109.4° |
| C28 | C27 | H271 | 113.5° | 109.9° |
| C28 | C27 | H272 | 113.5° | 111.3° |
| C27 | C28 | H281 | 115.0° | 109.3° |
| C27 | C28 | H282 | 115.0° | 110.0° |
| H271 | C27 | H272 | 97.0° | 107.7° |
| H281 | C28 | H282 | 95.5° | 108.2° |
| C30 | C29 | H29 | 118.9° | 119.4° |
| C29 | C30 | C31 | 121.6° | 120.0° |
| C29 | C30 | H30 | 119.0° | 119.5° |
| C31 | C30 | H30 | 119.4° | 120.5° |
| C30 | C31 | C32 | 116.4° | 118.9° |
| C31 | C32 | H321 | 106.5° | 110.3° |
| C31 | C32 | H322 | 125.6° | 111.2° |
| C31 | C32 | H323 | 106.5° | 111.1° |
| H321 | C32 | H322 | 106.5° | 108.6° |
| H321 | C32 | H323 | 103.0° | 108.6° |
| H322 | C32 | H323 | 106.5° | 106.9° |
| C33 | C34 | C35 | 118.5° | 119.7° |
| C33 | C34 | H341 | 109.0° | 121.5° |
| C35 | C34 | H341 | 108.9° | 118.8° |
| C34 | C35 | O36 | 125.4° | 119.4° |
| C35 | O36 | C37 | 115.0° | 116.8° |
| O36 | C37 | C38 | 110.6° | 109.4° |
| O36 | C37 | H371 | 111.8° | 108.0° |
| O36 | C37 | H372 | 111.8° | 108.8° |
| C38 | C37 | H371 | 111.8° | 110.0° |
| C38 | C37 | H372 | 111.8° | 111.6° |
| C37 | C38 | N39 | 113.5° | 109.6° |
| C37 | C38 | H381 | 110.7° | 111.3° |
| C37 | C38 | H382 | 110.7° | 110.4° |
| H371 | C37 | H372 | 98.6° | 109.1° |
| N39 | C38 | H381 | 110.7° | 108.2° |
| N39 | C38 | H382 | 110.7° | 108.1° |
| C38 | N39 | C40 | 118.7° | 110.8° |
| C38 | N39 | C43 | 117.6° | 110.8° |
| H381 | C38 | H382 | 99.6° | 109.1° |
| C40 | N39 | C43 | 104.6° | 104.9° |
| N39 | C40 | C41 | 99.0° | 102.9° |
| N39 | C40 | H401 | 116.3° | 112.1° |
| N39 | C40 | H402 | 116.3° | 111.6° |
| N39 | C43 | C42 | 102.3° | 102.9° |
| N39 | C43 | H431 | 114.9° | 111.7° |
| N39 | C43 | H432 | 114.9° | 112.1° |
| C41 | C40 | H401 | 116.2° | 111.8° |
| C41 | C40 | H402 | 116.2° | 109.8° |
| C40 | C41 | C42 | 100.2° | 105.2° |
| C40 | C41 | H411 | 115.7° | 110.8° |
| C40 | C41 | H412 | 115.8° | 111.5° |
| H401 | C40 | H402 | 94.2° | 108.6° |
| C42 | C41 | H411 | 115.8° | 109.7° |
| C42 | C41 | H412 | 115.7° | 111.7° |
| C41 | C42 | C43 | 106.0° | 105.1° |
| C41 | C42 | H421 | 113.5° | 111.7° |
| C41 | C42 | H422 | 113.5° | 109.7° |
| H411 | C41 | H412 | 94.7° | 107.9° |
| C43 | C42 | H421 | 113.5° | 111.5° |
| C43 | C42 | H422 | 113.5° | 110.9° |
| C42 | C43 | H431 | 114.9° | 109.7° |
| C42 | C43 | H432 | 114.9° | 111.7° |
| H421 | C42 | H422 | 97.0° | 107.9° |
| H431 | C43 | H432 | 95.5° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | H11 | H12A | 131.9° | 120.5° |
| O2 | C1 | H11 | H13 | 114.1° | 119.3° |
| O2 | C1 | H12A | H13 | 125.3° | 119.4° |
| C1 | O2 | C3 | C4 | 9.5° | 90.0° |
| C1 | O2 | C3 | C35 | 171.2° | 90.0° |
| H11 | C1 | H12A | H13 | 109.5° | 120.2° |
| H11 | C1 | O2 | C3 | 54.7° | 16.6° |
| H12A | C1 | O2 | C3 | 180.0° | 137.4° |
| H13 | C1 | O2 | C3 | 54.7° | 103.0° |
| O2 | C3 | C4 | C35 | 179.3° | 180.0° |
| O2 | C3 | C4 | C5 | 180.0° | 180.0° |
| O2 | C3 | C4 | H4 | 0.0° | 0.1° |
| O2 | C3 | C35 | C34 | 179.8° | 180.0° |
| O2 | C3 | C35 | O36 | 0.3° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | N6 | 179.8° | 180.0° |
| C3 | C4 | C5 | C33 | 0.0° | 0.0° |
| C4 | C3 | C35 | C34 | 0.3° | 0.0° |
| C4 | C3 | C35 | O36 | 179.7° | 180.0° |
| C35 | C3 | C4 | C5 | 0.7° | 0.0° |
| C35 | C3 | C4 | H4 | 179.3° | 179.9° |
| C3 | C35 | C34 | C33 | 0.6° | 0.0° |
| C3 | C35 | C34 | O36 | 179.9° | 180.0° |
| C3 | C35 | C34 | H341 | 125.9° | 180.0° |
| C3 | C35 | O36 | C37 | 169.7° | 120.0° |
| C4 | C5 | N6 | C33 | 179.9° | 179.9° |
| C4 | C5 | N6 | C7 | 179.7° | 180.0° |
| C4 | C5 | C33 | C9 | 179.7° | 180.0° |
| C4 | C5 | C33 | C34 | 1.0° | 0.0° |
| H4 | C4 | C5 | N6 | 0.2° | 0.0° |
| H4 | C4 | C5 | C33 | 179.9° | 179.9° |
| C5 | N6 | C7 | N8 | 0.2° | 0.1° |
| C5 | N6 | C7 | H7 | 179.8° | 180.0° |
| N6 | C5 | C33 | C9 | 0.4° | 0.1° |
| N6 | C5 | C33 | C34 | 179.2° | 180.0° |
| C33 | C5 | N6 | C7 | 0.2° | 0.1° |
| C5 | C33 | C9 | N8 | 1.5° | 0.0° |
| C5 | C33 | C9 | N10 | 178.7° | 179.9° |
| C5 | C33 | C9 | C34 | 178.7° | 180.0° |
| C5 | C33 | C34 | C35 | 1.3° | 0.0° |
| C5 | C33 | C34 | H341 | 126.5° | 180.0° |
| N6 | C7 | N8 | H7 | 180.0° | 179.9° |
| N6 | C7 | N8 | C9 | 1.2° | 0.1° |
| C7 | N8 | C9 | N10 | 178.4° | 179.9° |
| C7 | N8 | C9 | C33 | 1.8° | 0.0° |
| H7 | C7 | N8 | C9 | 178.8° | 180.0° |
| N8 | C9 | N10 | C33 | 179.8° | 180.0° |
| N8 | C9 | N10 | C11 | 11.1° | 30.0° |
| N8 | C9 | N10 | H10 | 114.2° | 150.0° |
| N8 | C9 | C33 | C34 | 179.8° | 180.0° |
| C9 | N10 | C11 | H10 | 125.3° | 180.0° |
| C9 | N10 | C11 | C12 | 116.1° | 30.0° |
| C9 | N10 | C11 | C31 | 65.9° | 149.9° |
| N10 | C9 | C33 | C34 | 0.1° | 0.0° |
| C33 | C9 | N10 | C11 | 168.7° | 150.0° |
| C33 | C9 | N10 | H10 | 66.0° | 30.0° |
| C9 | C33 | C34 | C35 | 179.9° | 180.0° |
| C9 | C33 | C34 | H341 | 54.9° | 0.0° |
| N10 | C11 | C12 | C31 | 178.0° | 180.0° |
| N10 | C11 | C12 | C13 | 177.3° | 179.9° |
| N10 | C11 | C12 | H12 | 2.7° | 0.0° |
| N10 | C11 | C31 | C30 | 177.5° | 180.0° |
| N10 | C11 | C31 | C32 | 1.2° | 0.1° |
| H10 | N10 | C11 | C12 | 9.2° | 150.0° |
| H10 | N10 | C11 | C31 | 168.8° | 30.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | N14 | 179.9° | 180.0° |
| C11 | C12 | C13 | C29 | 1.5° | 0.0° |
| C12 | C11 | C31 | C30 | 0.4° | 0.0° |
| C12 | C11 | C31 | C32 | 179.1° | 180.0° |
| C31 | C11 | C12 | C13 | 0.7° | 0.0° |
| C31 | C11 | C12 | H12 | 179.3° | 180.0° |
| C11 | C31 | C30 | C29 | 1.0° | 0.0° |
| C11 | C31 | C30 | C32 | 178.8° | 180.0° |
| C11 | C31 | C30 | H30 | 178.9° | 180.0° |
| C11 | C31 | C32 | H321 | 54.7° | 63.8° |
| C11 | C31 | C32 | H322 | 180.0° | 175.6° |
| C11 | C31 | C32 | H323 | 54.7° | 56.7° |
| C12 | C13 | N14 | C29 | 178.4° | 180.0° |
| C12 | C13 | N14 | C15 | 34.9° | 0.0° |
| C12 | C13 | N14 | H14 | 90.3° | 180.0° |
| C12 | C13 | C29 | C30 | 2.1° | 0.0° |
| C12 | C13 | C29 | H29 | 177.9° | 180.0° |
| H12 | C12 | C13 | N14 | 0.1° | 0.0° |
| H12 | C12 | C13 | C29 | 178.5° | 180.0° |
| C13 | N14 | C15 | H14 | 125.3° | 180.0° |
| C13 | N14 | C15 | O16 | 0.2° | 0.0° |
| C13 | N14 | C15 | C17 | 177.2° | 178.2° |
| N14 | C13 | C29 | C30 | 179.5° | 179.9° |
| N14 | C13 | C29 | H29 | 0.5° | 0.0° |
| C29 | C13 | N14 | C15 | 143.4° | 180.0° |
| C29 | C13 | N14 | H14 | 91.3° | 0.0° |
| C13 | C29 | C30 | H29 | 180.0° | 179.9° |
| C13 | C29 | C30 | C31 | 1.9° | 0.1° |
| C13 | C29 | C30 | H30 | 178.1° | 180.0° |
| N14 | C15 | O16 | C17 | 177.4° | 178.1° |
| N14 | C15 | C17 | C18 | 28.5° | 153.0° |
| N14 | C15 | C17 | C22 | 147.4° | 27.0° |
| H14 | N14 | C15 | O16 | 125.1° | 180.0° |
| H14 | N14 | C15 | C17 | 57.5° | 1.8° |
| O16 | C15 | C17 | C18 | 153.9° | 28.7° |
| O16 | C15 | C17 | C22 | 30.2° | 151.2° |
| C15 | C17 | C18 | C22 | 175.8° | 179.9° |
| C15 | C17 | C18 | C19 | 178.4° | 180.0° |
| C15 | C17 | C18 | H18 | 1.6° | 0.1° |
| C15 | C17 | C22 | C21 | 179.1° | 179.9° |
| C15 | C17 | C22 | H22 | 0.9° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | N20 | 0.9° | 0.1° |
| C17 | C18 | C19 | H19 | 179.1° | 179.9° |
| C18 | C17 | C22 | C21 | 2.8° | 0.0° |
| C18 | C17 | C22 | H22 | 177.2° | 180.0° |
| C22 | C17 | C18 | C19 | 2.6° | 0.1° |
| C22 | C17 | C18 | H18 | 177.4° | 180.0° |
| C17 | C22 | C21 | N20 | 1.1° | 0.0° |
| C17 | C22 | C21 | H22 | 180.0° | 180.0° |
| C17 | C22 | C21 | N23 | 179.4° | 180.0° |
| C18 | C19 | N20 | H19 | 180.0° | 180.0° |
| C18 | C19 | N20 | C21 | 0.8° | 0.1° |
| H18 | C18 | C19 | N20 | 179.1° | 180.0° |
| H18 | C18 | C19 | H19 | 0.9° | 0.0° |
| C19 | N20 | C21 | C22 | 0.7° | 0.0° |
| C19 | N20 | C21 | N23 | 178.8° | 180.0° |
| H19 | C19 | N20 | C21 | 179.2° | 180.0° |
| N20 | C21 | C22 | N23 | 179.5° | 180.0° |
| N20 | C21 | C22 | H22 | 178.9° | 180.0° |
| N20 | C21 | N23 | C24 | 27.3° | 30.0° |
| N20 | C21 | N23 | C28 | 175.2° | 119.9° |
| C22 | C21 | N23 | C24 | 153.3° | 150.1° |
| C22 | C21 | N23 | C28 | 5.3° | 60.1° |
| N23 | C21 | C22 | H22 | 0.6° | 0.0° |
| C21 | N23 | C24 | C28 | 148.2° | 151.3° |
| C21 | N23 | C24 | C25 | 170.1° | 159.3° |
| C21 | N23 | C24 | H241 | 64.6° | 80.3° |
| C21 | N23 | C24 | H242 | 44.8° | 38.5° |
| C21 | N23 | C28 | C27 | 154.0° | 159.9° |
| C21 | N23 | C28 | H281 | 28.7° | 39.1° |
| C21 | N23 | C28 | H282 | 80.8° | 79.7° |
| N23 | C24 | C25 | H241 | 125.3° | 119.7° |
| N23 | C24 | C25 | H242 | 125.3° | 121.7° |
| N23 | C24 | H241 | H242 | 117.2° | 120.4° |
| N23 | C24 | C25 | O26 | 40.1° | 54.5° |
| N23 | C24 | C25 | H251 | 165.3° | 67.2° |
| N23 | C24 | C25 | H252 | 85.2° | 173.6° |
| C24 | N23 | C28 | C27 | 56.6° | 49.4° |
| C24 | N23 | C28 | H281 | 178.1° | 170.2° |
| C24 | N23 | C28 | H282 | 68.6° | 71.1° |
| C28 | N23 | C24 | C25 | 41.7° | 49.5° |
| C28 | N23 | C24 | H241 | 83.5° | 71.0° |
| C28 | N23 | C24 | H242 | 167.0° | 170.2° |
| N23 | C28 | C27 | O26 | 74.1° | 54.4° |
| N23 | C28 | C27 | H281 | 125.3° | 121.6° |
| N23 | C28 | C27 | H282 | 125.3° | 119.7° |
| N23 | C28 | C27 | H271 | 160.6° | 173.4° |
| N23 | C28 | C27 | H272 | 51.2° | 67.4° |
| N23 | C28 | H281 | H282 | 120.9° | 119.2° |
| C25 | C24 | H241 | H242 | 117.2° | 119.3° |
| C24 | C25 | O26 | H251 | 125.3° | 122.9° |
| C24 | C25 | O26 | H252 | 125.2° | 120.3° |
| C24 | C25 | H251 | H252 | 117.6° | 120.6° |
| C24 | C25 | O26 | C27 | 58.1° | 62.8° |
| H241 | C24 | C25 | O26 | 85.2° | 65.1° |
| H241 | C24 | C25 | H251 | 40.0° | 173.2° |
| H241 | C24 | C25 | H252 | 149.5° | 53.9° |
| H242 | C24 | C25 | O26 | 165.3° | 176.2° |
| H242 | C24 | C25 | H251 | 69.4° | 54.5° |
| H242 | C24 | C25 | H252 | 40.0° | 64.8° |
| O26 | C25 | H251 | H252 | 117.6° | 117.1° |
| C25 | O26 | C27 | C28 | 78.2° | 62.7° |
| C25 | O26 | C27 | H271 | 156.5° | 177.1° |
| C25 | O26 | C27 | H272 | 47.1° | 60.2° |
| H251 | C25 | O26 | C27 | 176.6° | 60.1° |
| H252 | C25 | O26 | C27 | 67.1° | 177.0° |
| O26 | C27 | C28 | H271 | 125.3° | 119.0° |
| O26 | C27 | C28 | H272 | 125.3° | 121.8° |
| O26 | C27 | H271 | H272 | 119.4° | 118.1° |
| O26 | C27 | C28 | H281 | 160.7° | 176.1° |
| O26 | C27 | C28 | H282 | 51.2° | 65.3° |
| C28 | C27 | H271 | H272 | 119.4° | 121.4° |
| C27 | C28 | H281 | H282 | 120.9° | 119.8° |
| H271 | C27 | C28 | H281 | 35.4° | 64.9° |
| H271 | C27 | C28 | H282 | 74.1° | 53.7° |
| H272 | C27 | C28 | H281 | 74.1° | 54.3° |
| H272 | C27 | C28 | H282 | 176.4° | 172.9° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 179.8° | 180.0° |
| H29 | C29 | C30 | C31 | 178.1° | 180.0° |
| H29 | C29 | C30 | H30 | 1.9° | 0.1° |
| C30 | C31 | C32 | H321 | 124.0° | 116.1° |
| C30 | C31 | C32 | H322 | 1.3° | 4.4° |
| C30 | C31 | C32 | H323 | 126.6° | 123.4° |
| H30 | C30 | C31 | C32 | 0.1° | 0.0° |
| C31 | C32 | H321 | H322 | 136.2° | 122.1° |
| C31 | C32 | H321 | H323 | 111.9° | 122.0° |
| C31 | C32 | H322 | H323 | 125.3° | 121.5° |
| H321 | C32 | H322 | H323 | 109.5° | 117.0° |
| C33 | C34 | C35 | H341 | 125.3° | 180.0° |
| C33 | C34 | C35 | O36 | 179.3° | 180.0° |
| C34 | C35 | O36 | C37 | 10.4° | 60.0° |
| H341 | C34 | C35 | O36 | 54.0° | 0.0° |
| C35 | O36 | C37 | C38 | 176.9° | 150.3° |
| C35 | O36 | C37 | H371 | 57.8° | 90.0° |
| C35 | O36 | C37 | H372 | 51.7° | 28.2° |
| O36 | C37 | C38 | H371 | 125.3° | 118.4° |
| O36 | C37 | C38 | H372 | 125.3° | 120.4° |
| O36 | C37 | H371 | H372 | 117.7° | 118.0° |
| O36 | C37 | C38 | N39 | 43.5° | 178.4° |
| O36 | C37 | C38 | H381 | 81.7° | 61.9° |
| O36 | C37 | C38 | H382 | 168.8° | 59.5° |
| C38 | C37 | H371 | H372 | 117.7° | 122.7° |
| C37 | C38 | N39 | H381 | 125.2° | 121.6° |
| C37 | C38 | N39 | H382 | 125.3° | 120.4° |
| C37 | C38 | H381 | H382 | 116.6° | 122.1° |
| C37 | C38 | N39 | C40 | 159.9° | 178.5° |
| C37 | C38 | N39 | C43 | 72.3° | 65.5° |
| H371 | C37 | C38 | N39 | 168.8° | 60.0° |
| H371 | C37 | C38 | H381 | 43.6° | 179.7° |
| H371 | C37 | C38 | H382 | 65.9° | 59.0° |
| H372 | C37 | C38 | N39 | 81.7° | 61.2° |
| H372 | C37 | C38 | H381 | 153.0° | 58.5° |
| H372 | C37 | C38 | H382 | 43.5° | 179.8° |
| N39 | C38 | H381 | H382 | 116.6° | 117.4° |
| C38 | N39 | C40 | C43 | 133.6° | 119.6° |
| C38 | N39 | C40 | C41 | 174.3° | 162.1° |
| C38 | N39 | C40 | H401 | 49.0° | 77.7° |
| C38 | N39 | C40 | H402 | 60.5° | 44.4° |
| C38 | N39 | C43 | C42 | 168.4° | 162.0° |
| C38 | N39 | C43 | H431 | 43.1° | 44.3° |
| C38 | N39 | C43 | H432 | 66.4° | 77.8° |
| H381 | C38 | N39 | C40 | 34.7° | 59.9° |
| H381 | C38 | N39 | C43 | 162.5° | 56.1° |
| H382 | C38 | N39 | C40 | 74.8° | 58.1° |
| H382 | C38 | N39 | C43 | 53.0° | 174.2° |
| N39 | C40 | C41 | H401 | 125.3° | 120.4° |
| N39 | C40 | C41 | H402 | 125.3° | 119.0° |
| N39 | C40 | H401 | H402 | 122.1° | 123.8° |
| N39 | C40 | C41 | C42 | 47.4° | 25.4° |
| N39 | C40 | C41 | H411 | 77.8° | 93.1° |
| N39 | C40 | C41 | H412 | 172.7° | 146.7° |
| C40 | N39 | C43 | C42 | 34.2° | 42.3° |
| C40 | N39 | C43 | H431 | 91.1° | 75.3° |
| C40 | N39 | C43 | H432 | 159.4° | 162.5° |
| C43 | N39 | C40 | C41 | 52.1° | 42.5° |
| C43 | N39 | C40 | H401 | 177.4° | 162.7° |
| C43 | N39 | C40 | H402 | 73.1° | 75.2° |
| N39 | C43 | C42 | C41 | 3.0° | 25.0° |
| N39 | C43 | C42 | H431 | 125.2° | 119.0° |
| N39 | C43 | C42 | H432 | 125.3° | 120.5° |
| N39 | C43 | C42 | H421 | 122.2° | 146.3° |
| N39 | C43 | C42 | H422 | 128.3° | 93.5° |
| N39 | C43 | H431 | H432 | 120.8° | 124.2° |
| C41 | C40 | H401 | H402 | 122.0° | 121.3° |
| C40 | C41 | C42 | H411 | 125.3° | 119.2° |
| C40 | C41 | C42 | H412 | 125.3° | 121.2° |
| C40 | C41 | H411 | H412 | 121.6° | 122.3° |
| C40 | C41 | C42 | C43 | 27.4° | 0.2° |
| C40 | C41 | C42 | H421 | 152.6° | 120.9° |
| C40 | C41 | C42 | H422 | 97.9° | 119.5° |
| H401 | C40 | C41 | C42 | 172.7° | 145.8° |
| H401 | C40 | C41 | H411 | 47.4° | 27.3° |
| H401 | C40 | C41 | H412 | 62.1° | 92.9° |
| H402 | C40 | C41 | C42 | 77.9° | 93.6° |
| H402 | C40 | C41 | H411 | 156.9° | 147.9° |
| H402 | C40 | C41 | H412 | 47.4° | 27.7° |
| C42 | C41 | H411 | H412 | 121.6° | 122.0° |
| C41 | C42 | C43 | H421 | 125.2° | 121.2° |
| C41 | C42 | C43 | H422 | 125.3° | 118.5° |
| C41 | C42 | H421 | H422 | 119.4° | 120.7° |
| C41 | C42 | C43 | H431 | 122.2° | 94.0° |
| C41 | C42 | C43 | H432 | 128.3° | 145.5° |
| H411 | C41 | C42 | C43 | 97.9° | 119.0° |
| H411 | C41 | C42 | H421 | 27.4° | 119.9° |
| H411 | C41 | C42 | H422 | 136.9° | 0.3° |
| H412 | C41 | C42 | C43 | 152.7° | 121.4° |
| H412 | C41 | C42 | H421 | 82.1° | 0.3° |
| H412 | C41 | C42 | H422 | 27.4° | 119.3° |
| C43 | C42 | H421 | H422 | 119.4° | 122.0° |
| C42 | C43 | H431 | H432 | 120.8° | 122.3° |
| H421 | C42 | C43 | H431 | 112.6° | 27.2° |
| H421 | C42 | C43 | H432 | 3.1° | 93.2° |
| H422 | C42 | C43 | H431 | 3.1° | 147.5° |
| H422 | C42 | C43 | H432 | 106.4° | 27.0° |
