592
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | O2 | sing | 1.36Å | 1.38Å | |
| C14 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| O2 | C19 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.48Å | 1.52Å | |
| C10 | O1 | doub | 1.22Å | 1.24Å | |
| C10 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | C3 | sing | 1.53Å | 1.59Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C3 | C2 | sing | 1.54Å | 1.56Å | |
| C2 | C8 | sing | 1.55Å | 1.55Å | |
| C2 | N4 | sing | 1.49Å | 1.47Å | |
| C8 | C7 | sing | 1.54Å | 1.51Å | |
| C7 | C6 | sing | 1.55Å | 1.56Å | |
| C6 | N4 | sing | 1.49Å | 1.48Å | |
| N4 | C21 | sing | 1.38Å | 1.38Å | |
| C21 | C26 | sing | 1.39Å | 1.43Å | Aromatic |
| C21 | N2 | doub | 1.33Å | 1.33Å | Aromatic |
| C26 | C25 | doub | 1.37Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C23 | sing | 1.32Å | 1.35Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C27 | sing | 1.48Å | 1.54Å | |
| C27 | O3 | doub | 1.22Å | 1.22Å | |
| C27 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | HA | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C13 | C14 | 118.8° | 120.1° |
| C20 | C13 | C12 | 121.9° | 120.1° |
| C13 | C20 | H201 | 109.5° | 109.5° |
| C13 | C20 | H202 | 109.5° | 109.5° |
| C13 | C20 | H203 | 109.4° | 109.5° |
| C14 | C13 | C12 | 119.1° | 119.8° |
| C13 | C14 | O2 | 119.8° | 119.9° |
| C13 | C14 | C15 | 117.8° | 120.1° |
| C13 | C12 | C1 | 121.8° | 119.7° |
| C13 | C12 | C10 | 121.8° | 120.1° |
| O2 | C14 | C15 | 122.3° | 120.0° |
| C14 | O2 | C19 | 117.2° | 117.0° |
| C14 | C15 | C16 | 123.6° | 120.2° |
| C14 | C15 | H15 | 118.2° | 120.0° |
| O2 | C19 | H191 | 109.5° | 109.5° |
| O2 | C19 | H192 | 109.5° | 109.5° |
| O2 | C19 | H193 | 109.5° | 109.5° |
| C15 | C16 | C1 | 118.3° | 120.2° |
| C16 | C15 | H15 | 118.2° | 119.8° |
| C15 | C16 | H16 | 120.9° | 119.9° |
| C16 | C1 | C12 | 119.4° | 120.0° |
| C1 | C16 | H16 | 120.8° | 119.9° |
| C16 | C1 | H1 | 120.3° | 120.0° |
| C1 | C12 | C10 | 116.4° | 120.2° |
| C12 | C1 | H1 | 120.3° | 120.0° |
| C12 | C10 | O1 | 121.4° | 120.0° |
| C12 | C10 | N1 | 113.2° | 120.0° |
| O1 | C10 | N1 | 125.3° | 120.0° |
| C10 | N1 | C4 | 124.4° | 119.9° |
| C10 | N1 | HA | 117.8° | 120.0° |
| N1 | C4 | C5 | 109.6° | 109.4° |
| N1 | C4 | C3 | 106.6° | 109.4° |
| C4 | N1 | HA | 117.8° | 120.1° |
| N1 | C4 | H4 | 109.5° | 109.5° |
| C5 | C4 | C3 | 114.6° | 109.7° |
| C4 | C5 | C6 | 113.6° | 108.9° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C4 | C5 | H51C | 108.4° | 109.5° |
| C4 | C5 | H52C | 108.4° | 109.6° |
| C4 | C3 | C2 | 111.2° | 108.9° |
| C3 | C4 | H4 | 108.1° | 109.4° |
| C4 | C3 | H31C | 109.0° | 109.5° |
| C4 | C3 | H32C | 109.0° | 109.5° |
| C5 | C6 | C7 | 110.5° | 107.8° |
| C5 | C6 | N4 | 102.6° | 107.2° |
| C6 | C5 | H51C | 108.4° | 109.6° |
| C6 | C5 | H52C | 108.5° | 109.5° |
| C5 | C6 | H6 | 113.3° | 112.1° |
| C3 | C2 | C8 | 114.5° | 107.8° |
| C3 | C2 | N4 | 105.2° | 107.3° |
| C2 | C3 | H31C | 109.0° | 109.6° |
| C2 | C3 | H32C | 109.0° | 109.6° |
| C3 | C2 | H2 | 111.0° | 112.1° |
| C8 | C2 | N4 | 102.4° | 104.2° |
| C2 | C8 | C7 | 104.7° | 104.8° |
| C8 | C2 | H2 | 111.1° | 112.2° |
| C2 | C8 | H81C | 110.7° | 110.4° |
| C2 | C8 | H82C | 110.7° | 110.4° |
| C2 | N4 | C6 | 107.6° | 103.4° |
| C2 | N4 | C21 | 124.2° | 111.0° |
| N4 | C2 | H2 | 112.3° | 112.7° |
| C8 | C7 | C6 | 107.3° | 104.9° |
| C7 | C8 | H81C | 110.6° | 110.4° |
| C7 | C8 | H82C | 110.6° | 110.4° |
| C8 | C7 | H71C | 110.0° | 110.4° |
| C8 | C7 | H72C | 110.0° | 110.4° |
| C7 | C6 | N4 | 102.4° | 104.2° |
| C7 | C6 | H6 | 112.9° | 112.2° |
| C6 | C7 | H71C | 110.0° | 110.4° |
| C6 | C7 | H72C | 110.0° | 110.3° |
| C6 | N4 | C21 | 127.2° | 111.0° |
| N4 | C6 | H6 | 114.3° | 112.8° |
| N4 | C21 | C26 | 119.3° | 119.6° |
| N4 | C21 | N2 | 118.4° | 119.5° |
| C26 | C21 | N2 | 122.1° | 120.9° |
| C21 | C26 | C25 | 117.4° | 119.4° |
| C21 | C26 | H26 | 121.3° | 120.2° |
| C21 | N2 | C23 | 121.2° | 121.6° |
| C26 | C25 | C24 | 118.4° | 118.5° |
| C25 | C26 | H26 | 121.3° | 120.3° |
| C26 | C25 | H25 | 120.8° | 120.8° |
| C25 | C24 | C23 | 121.6° | 119.1° |
| C25 | C24 | C27 | 119.3° | 120.5° |
| C24 | C25 | H25 | 120.8° | 120.8° |
| N2 | C23 | C24 | 119.1° | 120.5° |
| N2 | C23 | H23 | 120.5° | 119.7° |
| C23 | C24 | C27 | 119.0° | 120.4° |
| C24 | C23 | H23 | 120.4° | 119.8° |
| C24 | C27 | O3 | 117.8° | 120.0° |
| C24 | C27 | N3 | 116.5° | 120.0° |
| O3 | C27 | N3 | 125.6° | 120.0° |
| C27 | N3 | C11 | 120.6° | 120.0° |
| C27 | N3 | H3 | 119.7° | 120.0° |
| N3 | C11 | C17 | 116.2° | 109.5° |
| C11 | N3 | H3 | 119.7° | 120.0° |
| N3 | C11 | H111 | 107.8° | 109.4° |
| N3 | C11 | H112 | 107.8° | 109.5° |
| C11 | C17 | C18 | 118.4° | 120.0° |
| C11 | C17 | C29 | 119.5° | 120.0° |
| C17 | C11 | H111 | 107.7° | 109.5° |
| C17 | C11 | H112 | 107.8° | 109.5° |
| C18 | C17 | C29 | 122.0° | 119.9° |
| C17 | C18 | C22 | 118.5° | 120.0° |
| C17 | C18 | H18 | 120.7° | 120.0° |
| C17 | C29 | C9 | 119.6° | 120.0° |
| C17 | C29 | H29 | 120.2° | 119.9° |
| C18 | C22 | C28 | 119.1° | 120.0° |
| C22 | C18 | H18 | 120.7° | 120.0° |
| C18 | C22 | H22 | 120.5° | 120.0° |
| C22 | C28 | C9 | 122.2° | 120.0° |
| C28 | C22 | H22 | 120.5° | 120.0° |
| C22 | C28 | H28 | 118.9° | 120.0° |
| C28 | C9 | C29 | 118.6° | 120.0° |
| C9 | C28 | H28 | 118.9° | 120.0° |
| C28 | C9 | H9 | 120.7° | 120.0° |
| C9 | C29 | H29 | 120.2° | 120.1° |
| C29 | C9 | H9 | 120.7° | 120.0° |
| H201 | C20 | H202 | 109.4° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.6° |
| H31C | C3 | H32C | 109.5° | 109.7° |
| H81C | C8 | H82C | 109.5° | 110.4° |
| H71C | C7 | H72C | 109.5° | 110.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C13 | C14 | C12 | 175.6° | 179.8° |
| C20 | C13 | C14 | O2 | 5.1° | 0.1° |
| C20 | C13 | C14 | C15 | 178.2° | 180.0° |
| C20 | C13 | C12 | C1 | 178.4° | 179.6° |
| C20 | C13 | C12 | C10 | 2.9° | 0.1° |
| C13 | C20 | H201 | H202 | 120.0° | 120.0° |
| C13 | C20 | H201 | H203 | 120.0° | 120.0° |
| C13 | C20 | H202 | H203 | 120.0° | 120.0° |
| C13 | C14 | O2 | C15 | 176.5° | 179.9° |
| C13 | C14 | O2 | C19 | 179.6° | 180.0° |
| C13 | C14 | C15 | C16 | 1.8° | 0.0° |
| C14 | C13 | C12 | C1 | 2.9° | 0.6° |
| C14 | C13 | C12 | C10 | 178.4° | 179.7° |
| C14 | C13 | C20 | H201 | 92.1° | 97.1° |
| C14 | C13 | C20 | H202 | 147.9° | 142.9° |
| C14 | C13 | C20 | H203 | 27.9° | 22.9° |
| C13 | C14 | C15 | H15 | 178.1° | 180.0° |
| C12 | C13 | C14 | O2 | 179.2° | 179.7° |
| C12 | C13 | C14 | C15 | 2.5° | 0.2° |
| C13 | C12 | C1 | C16 | 2.4° | 0.6° |
| C13 | C12 | C1 | C10 | 178.8° | 179.7° |
| C13 | C12 | C10 | O1 | 57.9° | 5.8° |
| C13 | C12 | C10 | N1 | 125.1° | 174.3° |
| C12 | C13 | C20 | H201 | 92.4° | 83.1° |
| C12 | C13 | C20 | H202 | 27.6° | 36.9° |
| C12 | C13 | C20 | H203 | 147.6° | 156.9° |
| C13 | C12 | C1 | H1 | 177.6° | 179.7° |
| O2 | C14 | C15 | C16 | 178.4° | 180.0° |
| O2 | C14 | C15 | H15 | 1.5° | 0.0° |
| C14 | O2 | C19 | H191 | 180.0° | 60.0° |
| C14 | O2 | C19 | H192 | 60.0° | 59.9° |
| C14 | O2 | C19 | H193 | 60.0° | 180.0° |
| C15 | C14 | O2 | C19 | 3.9° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C1 | 1.3° | 0.0° |
| C14 | C15 | C16 | H16 | 178.7° | 180.0° |
| O2 | C19 | H191 | H192 | 120.0° | 120.0° |
| O2 | C19 | H191 | H193 | 120.0° | 120.0° |
| O2 | C19 | H192 | H193 | 120.0° | 120.0° |
| C15 | C16 | C1 | H16 | 180.0° | 179.9° |
| C15 | C16 | C1 | C12 | 1.5° | 0.4° |
| C15 | C16 | C1 | H1 | 178.5° | 179.9° |
| C16 | C1 | C12 | H1 | 180.0° | 179.7° |
| C16 | C1 | C12 | C10 | 178.9° | 179.6° |
| C1 | C16 | C15 | H15 | 178.6° | 180.0° |
| C1 | C12 | C10 | O1 | 120.9° | 173.9° |
| C1 | C12 | C10 | N1 | 56.1° | 6.0° |
| C12 | C1 | C16 | H16 | 178.5° | 179.7° |
| C12 | C10 | O1 | N1 | 176.6° | 180.0° |
| C12 | C10 | N1 | C4 | 179.1° | 180.0° |
| C10 | C12 | C1 | H1 | 1.1° | 0.1° |
| C12 | C10 | N1 | HA | 0.9° | 0.0° |
| O1 | C10 | N1 | C4 | 4.1° | 0.0° |
| O1 | C10 | N1 | HA | 175.9° | 180.0° |
| C10 | N1 | C4 | HA | 180.0° | 180.0° |
| C10 | N1 | C4 | C5 | 71.8° | 119.9° |
| C10 | N1 | C4 | C3 | 163.6° | 119.9° |
| C10 | N1 | C4 | H4 | 47.0° | 0.0° |
| N1 | C4 | C5 | C3 | 119.8° | 120.0° |
| N1 | C4 | C5 | H4 | 119.4° | 120.0° |
| N1 | C4 | C3 | H4 | 117.6° | 119.9° |
| N1 | C4 | C5 | C6 | 83.6° | 66.0° |
| N1 | C4 | C3 | C2 | 88.2° | 66.0° |
| N1 | C4 | C5 | H51C | 155.8° | 174.1° |
| N1 | C4 | C5 | H52C | 37.0° | 53.8° |
| N1 | C4 | C3 | H31C | 32.0° | 53.8° |
| N1 | C4 | C3 | H32C | 151.5° | 174.2° |
| C5 | C4 | C3 | H4 | 120.9° | 120.1° |
| C4 | C5 | C6 | H51C | 120.6° | 119.9° |
| C4 | C5 | C6 | H52C | 120.6° | 119.8° |
| C5 | C4 | C3 | C2 | 33.3° | 54.0° |
| C4 | C5 | C6 | C7 | 52.9° | 47.6° |
| C4 | C5 | C6 | N4 | 55.6° | 64.1° |
| C5 | C4 | N1 | HA | 108.2° | 60.1° |
| C4 | C5 | H51C | H52C | 118.1° | 120.3° |
| C5 | C4 | C3 | H31C | 153.5° | 173.8° |
| C5 | C4 | C3 | H32C | 87.0° | 65.8° |
| C4 | C5 | C6 | H6 | 179.2° | 171.6° |
| C3 | C4 | C5 | C6 | 36.2° | 54.0° |
| C4 | C3 | C2 | H31C | 120.3° | 119.8° |
| C4 | C3 | C2 | H32C | 120.3° | 119.8° |
| C4 | C3 | C2 | C8 | 59.8° | 47.6° |
| C4 | C3 | C2 | N4 | 51.8° | 64.1° |
| C3 | C4 | N1 | HA | 16.4° | 60.1° |
| C3 | C4 | C5 | H51C | 84.4° | 65.9° |
| C3 | C4 | C5 | H52C | 156.9° | 173.8° |
| C4 | C3 | H31C | H32C | 119.2° | 120.3° |
| C4 | C3 | C2 | H2 | 173.4° | 171.6° |
| C5 | C6 | N4 | C2 | 79.8° | 72.5° |
| C5 | C6 | C7 | C8 | 93.9° | 88.5° |
| C5 | C6 | C7 | N4 | 108.7° | 113.7° |
| C5 | C6 | C7 | H6 | 128.0° | 124.0° |
| C5 | C6 | N4 | H6 | 123.0° | 123.9° |
| C5 | C6 | N4 | C21 | 88.8° | 46.6° |
| C6 | C5 | C4 | H4 | 157.0° | 174.0° |
| C6 | C5 | H51C | H52C | 118.1° | 120.3° |
| C5 | C6 | C7 | H71C | 25.7° | 30.3° |
| C5 | C6 | C7 | H72C | 146.4° | 152.6° |
| C3 | C2 | C8 | N4 | 113.3° | 113.8° |
| C3 | C2 | C8 | H2 | 126.6° | 124.0° |
| C3 | C2 | N4 | H2 | 120.8° | 123.9° |
| C3 | C2 | C8 | C7 | 83.8° | 88.6° |
| C3 | C2 | N4 | C6 | 79.1° | 72.6° |
| C3 | C2 | N4 | C21 | 89.9° | 46.5° |
| C2 | C3 | C4 | H4 | 154.2° | 174.0° |
| C2 | C3 | H31C | H32C | 119.2° | 120.3° |
| C3 | C2 | C8 | H81C | 35.4° | 30.3° |
| C3 | C2 | C8 | H82C | 156.9° | 152.6° |
| C8 | C2 | N4 | H2 | 119.2° | 121.9° |
| C2 | C8 | C7 | H81C | 119.3° | 118.8° |
| C2 | C8 | C7 | H82C | 119.3° | 118.9° |
| C2 | C8 | C7 | C6 | 9.0° | 0.0° |
| C8 | C2 | N4 | C6 | 40.9° | 41.6° |
| C8 | C2 | N4 | C21 | 150.1° | 160.7° |
| C8 | C2 | C3 | H31C | 60.4° | 72.1° |
| C8 | C2 | C3 | H32C | 179.9° | 167.4° |
| C2 | C8 | H81C | H82C | 122.2° | 122.3° |
| C2 | C8 | C7 | H71C | 110.6° | 118.8° |
| C2 | C8 | C7 | H72C | 128.7° | 118.8° |
| N4 | C2 | C8 | C7 | 29.5° | 25.2° |
| C2 | N4 | C6 | C7 | 34.8° | 41.6° |
| C2 | N4 | C6 | C21 | 168.6° | 119.1° |
| C2 | N4 | C21 | C26 | 10.2° | 153.7° |
| C2 | N4 | C21 | N2 | 165.2° | 26.6° |
| N4 | C2 | C3 | H31C | 172.0° | 176.1° |
| N4 | C2 | C3 | H32C | 68.5° | 55.7° |
| C2 | N4 | C6 | H6 | 157.2° | 163.6° |
| N4 | C2 | C8 | H81C | 148.7° | 144.0° |
| N4 | C2 | C8 | H82C | 89.8° | 93.7° |
| C8 | C7 | C6 | H71C | 119.7° | 118.8° |
| C8 | C7 | C6 | H72C | 119.7° | 118.9° |
| C8 | C7 | C6 | N4 | 14.7° | 25.2° |
| C8 | C7 | C6 | H6 | 138.0° | 147.5° |
| C7 | C8 | C2 | H2 | 149.5° | 147.5° |
| C7 | C8 | H81C | H82C | 122.2° | 122.3° |
| C8 | C7 | H71C | H72C | 121.0° | 122.3° |
| C7 | C6 | N4 | H6 | 122.4° | 122.0° |
| C7 | C6 | N4 | C21 | 156.6° | 160.7° |
| C7 | C6 | C5 | H51C | 173.5° | 167.4° |
| C7 | C6 | C5 | H52C | 67.7° | 72.3° |
| C6 | C7 | C8 | H81C | 128.3° | 118.8° |
| C6 | C7 | C8 | H82C | 110.2° | 118.9° |
| C6 | C7 | H71C | H72C | 121.0° | 122.3° |
| C6 | N4 | C21 | C26 | 177.1° | 39.3° |
| C6 | N4 | C21 | N2 | 1.7° | 141.1° |
| N4 | C6 | C5 | H51C | 65.0° | 55.7° |
| N4 | C6 | C5 | H52C | 176.2° | 176.0° |
| C6 | N4 | C2 | H2 | 160.1° | 163.5° |
| N4 | C6 | C7 | H71C | 134.4° | 144.0° |
| N4 | C6 | C7 | H72C | 105.0° | 93.7° |
| N4 | C21 | C26 | N2 | 175.2° | 179.7° |
| N4 | C21 | C26 | C25 | 178.5° | 180.0° |
| N4 | C21 | N2 | C23 | 179.6° | 180.0° |
| C21 | N4 | C6 | H6 | 34.2° | 77.3° |
| C21 | N4 | C2 | H2 | 30.9° | 77.4° |
| N4 | C21 | C26 | H26 | 1.5° | 0.1° |
| C21 | C26 | C25 | H26 | 180.0° | 179.9° |
| C21 | C26 | C25 | C24 | 2.0° | 0.0° |
| C26 | C21 | N2 | C23 | 4.4° | 0.3° |
| C21 | C26 | C25 | H25 | 178.0° | 180.0° |
| N2 | C21 | C26 | C25 | 3.3° | 0.3° |
| C21 | N2 | C23 | C24 | 4.1° | 0.0° |
| N2 | C21 | C26 | H26 | 176.7° | 179.8° |
| C21 | N2 | C23 | H23 | 175.9° | 180.0° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 2.0° | 0.2° |
| C26 | C25 | C24 | C27 | 177.7° | 180.0° |
| C25 | C24 | C23 | N2 | 2.9° | 0.3° |
| C25 | C24 | C23 | C27 | 175.8° | 179.7° |
| C25 | C24 | C27 | O3 | 175.5° | 0.0° |
| C25 | C24 | C27 | N3 | 1.8° | 180.0° |
| C24 | C25 | C26 | H26 | 178.0° | 180.0° |
| C25 | C24 | C23 | H23 | 177.1° | 179.7° |
| N2 | C23 | C24 | H23 | 180.0° | 180.0° |
| N2 | C23 | C24 | C27 | 178.7° | 180.0° |
| C23 | C24 | C27 | O3 | 0.4° | 179.7° |
| C23 | C24 | C27 | N3 | 177.7° | 0.3° |
| C23 | C24 | C25 | H25 | 178.0° | 179.8° |
| C24 | C27 | O3 | N3 | 177.0° | 180.0° |
| C24 | C27 | N3 | C11 | 176.3° | 180.0° |
| C27 | C24 | C25 | H25 | 2.3° | 0.0° |
| C27 | C24 | C23 | H23 | 1.3° | 0.0° |
| C24 | C27 | N3 | H3 | 3.7° | 0.0° |
| O3 | C27 | N3 | C11 | 0.7° | 0.0° |
| O3 | C27 | N3 | H3 | 179.3° | 180.0° |
| C27 | N3 | C11 | H3 | 180.0° | 180.0° |
| C27 | N3 | C11 | C17 | 74.1° | 180.0° |
| C27 | N3 | C11 | H111 | 46.9° | 60.0° |
| C27 | N3 | C11 | H112 | 165.0° | 60.0° |
| N3 | C11 | C17 | H111 | 121.0° | 120.0° |
| N3 | C11 | C17 | H112 | 121.0° | 120.0° |
| N3 | C11 | C17 | C18 | 165.8° | 90.0° |
| N3 | C11 | C17 | C29 | 15.8° | 90.3° |
| N3 | C11 | H111 | H112 | 116.9° | 119.9° |
| C11 | C17 | C18 | C29 | 178.3° | 179.7° |
| C11 | C17 | C18 | C22 | 179.5° | 180.0° |
| C11 | C17 | C29 | C9 | 179.5° | 179.8° |
| C17 | C11 | N3 | H3 | 106.0° | 0.0° |
| C17 | C11 | H111 | H112 | 116.9° | 120.1° |
| C11 | C17 | C18 | H18 | 0.4° | 0.1° |
| C11 | C17 | C29 | H29 | 0.5° | 0.0° |
| C17 | C18 | C22 | H18 | 180.0° | 179.9° |
| C17 | C18 | C22 | C28 | 0.5° | 0.1° |
| C18 | C17 | C29 | C9 | 1.2° | 0.5° |
| C18 | C17 | C11 | H111 | 44.8° | 30.0° |
| C18 | C17 | C11 | H112 | 73.2° | 150.0° |
| C18 | C17 | C29 | H29 | 178.8° | 179.7° |
| C17 | C18 | C22 | H22 | 179.5° | 179.9° |
| C29 | C17 | C18 | C22 | 1.2° | 0.3° |
| C17 | C29 | C9 | C28 | 0.4° | 0.5° |
| C17 | C29 | C9 | H29 | 180.0° | 179.7° |
| C29 | C17 | C11 | H111 | 136.8° | 149.8° |
| C29 | C17 | C11 | H112 | 105.1° | 29.7° |
| C29 | C17 | C18 | H18 | 178.7° | 179.8° |
| C17 | C29 | C9 | H9 | 179.5° | 179.8° |
| C18 | C22 | C28 | H22 | 180.0° | 180.0° |
| C18 | C22 | C28 | C9 | 0.2° | 0.0° |
| C18 | C22 | C28 | H28 | 179.8° | 180.0° |
| C22 | C28 | C9 | H28 | 180.0° | 179.9° |
| C22 | C28 | C9 | C29 | 0.2° | 0.2° |
| C28 | C22 | C18 | H18 | 179.5° | 180.0° |
| C22 | C28 | C9 | H9 | 179.8° | 180.0° |
| C28 | C9 | C29 | H9 | 180.0° | 179.7° |
| C28 | C9 | C29 | H29 | 179.5° | 179.8° |
| C9 | C28 | C22 | H22 | 179.8° | 180.0° |
| C29 | C9 | C28 | H28 | 179.7° | 179.8° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H15 | C15 | C16 | H16 | 1.3° | 0.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H16 | C16 | C1 | H1 | 1.5° | 0.0° |
| HA | N1 | C4 | H4 | 133.0° | 180.0° |
| H4 | C4 | C5 | H51C | 36.4° | 54.1° |
| H4 | C4 | C5 | H52C | 82.4° | 66.1° |
| H4 | C4 | C3 | H31C | 85.6° | 66.2° |
| H4 | C4 | C3 | H32C | 33.9° | 54.2° |
| H51C | C5 | C6 | H6 | 58.6° | 68.6° |
| H52C | C5 | C6 | H6 | 60.1° | 51.7° |
| H31C | C3 | C2 | H2 | 66.3° | 51.9° |
| H32C | C3 | C2 | H2 | 53.2° | 68.6° |
| H6 | C6 | C7 | H71C | 102.3° | 93.6° |
| H6 | C6 | C7 | H72C | 18.4° | 28.6° |
| H2 | C2 | C8 | H81C | 91.2° | 93.7° |
| H2 | C2 | C8 | H82C | 30.3° | 28.6° |
| H81C | C8 | C7 | H71C | 8.6° | 0.0° |
| H81C | C8 | C7 | H72C | 112.0° | 122.3° |
| H82C | C8 | C7 | H71C | 130.1° | 122.3° |
| H82C | C8 | C7 | H72C | 9.4° | 0.0° |
| H26 | C26 | C25 | H25 | 2.0° | 0.1° |
| H3 | N3 | C11 | H111 | 133.1° | 120.0° |
| H3 | N3 | C11 | H112 | 15.0° | 120.0° |
| H18 | C18 | C22 | H22 | 0.5° | 0.0° |
| H29 | C29 | C9 | H9 | 0.5° | 0.0° |
| H22 | C22 | C28 | H28 | 0.2° | 0.0° |
| H28 | C28 | C9 | H9 | 0.2° | 0.1° |
