XJO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C26 | doub | 1.22Å | 1.23Å | |
| C26 | C | sing | 1.46Å | 1.50Å | |
| C26 | C24 | sing | 1.50Å | 1.52Å | |
| C | C1 | doub | 1.34Å | 1.34Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.51Å | 1.55Å | |
| C23 | C21 | sing | 1.52Å | 1.54Å | |
| C21 | C22 | sing | 1.52Å | 1.55Å | |
| C21 | C10 | sing | 1.52Å | 1.54Å | |
| C10 | C8 | sing | 1.53Å | 1.54Å | |
| C10 | O2 | sing | 1.46Å | 1.39Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | O1 | doub | 1.21Å | 1.21Å | |
| C7 | O | sing | 1.34Å | 1.46Å | |
| O | C4 | sing | 1.45Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| O2 | C11 | sing | 1.35Å | 1.43Å | |
| C11 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.48Å | 1.51Å | |
| C12 | C17 | sing | 1.40Å | 1.48Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | N | sing | 1.47Å | 1.46Å | |
| N | C20 | sing | 1.47Å | 1.46Å | |
| N | C19 | sing | 1.47Å | 1.47Å | |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C | H | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.12Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C21 | H21 | sing | 1.11Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C9 | H93C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C2 | HA | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C6 | H63C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C26 | C | 120.5° | 118.4° |
| O4 | C26 | C24 | 117.3° | 119.1° |
| C | C26 | C24 | 122.0° | 122.6° |
| C26 | C | C1 | 123.7° | 119.0° |
| C26 | C | H | 118.2° | 120.5° |
| C26 | C24 | C25 | 110.3° | 111.4° |
| C26 | C24 | C23 | 111.9° | 114.5° |
| C26 | C24 | H24 | 106.1° | 106.0° |
| C | C1 | C2 | 122.1° | 121.8° |
| C1 | C | H | 118.1° | 120.4° |
| C | C1 | H1 | 119.0° | 119.1° |
| C25 | C24 | C23 | 116.1° | 112.1° |
| C25 | C24 | H24 | 105.9° | 105.7° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C23 | C21 | 121.9° | 116.7° |
| C23 | C24 | H24 | 105.8° | 106.5° |
| C24 | C23 | H231 | 106.3° | 108.6° |
| C24 | C23 | H232 | 106.3° | 108.6° |
| C23 | C21 | C22 | 118.2° | 112.1° |
| C23 | C21 | C10 | 110.0° | 112.1° |
| C21 | C23 | H231 | 106.3° | 108.4° |
| C21 | C23 | H232 | 106.3° | 108.4° |
| C23 | C21 | H21 | 105.1° | 106.6° |
| C22 | C21 | C10 | 112.3° | 112.6° |
| C22 | C21 | H21 | 105.0° | 106.4° |
| C21 | C22 | H221 | 109.5° | 109.4° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C21 | C10 | C8 | 120.6° | 111.9° |
| C21 | C10 | O2 | 102.6° | 109.2° |
| C10 | C21 | H21 | 105.0° | 106.6° |
| C21 | C10 | H10 | 110.8° | 111.0° |
| C8 | C10 | O2 | 97.8° | 108.5° |
| C10 | C8 | C9 | 112.5° | 109.0° |
| C10 | C8 | C7 | 114.6° | 108.5° |
| C8 | C10 | H10 | 110.9° | 108.1° |
| C10 | C8 | H8 | 106.4° | 111.9° |
| C10 | O2 | C11 | 122.1° | 117.0° |
| O2 | C10 | H10 | 113.2° | 108.1° |
| C9 | C8 | C7 | 109.4° | 108.6° |
| C9 | C8 | H8 | 106.4° | 108.9° |
| C8 | C9 | H91C | 109.5° | 109.5° |
| C8 | C9 | H92C | 109.4° | 109.5° |
| C8 | C9 | H93C | 109.5° | 109.5° |
| C8 | C7 | O1 | 122.3° | 119.4° |
| C8 | C7 | O | 114.4° | 120.0° |
| C7 | C8 | H8 | 106.9° | 109.9° |
| O1 | C7 | O | 123.2° | 120.7° |
| C7 | O | C4 | 126.5° | 118.4° |
| O | C4 | C5 | 105.8° | 109.8° |
| O | C4 | C2 | 108.9° | 109.5° |
| O | C4 | H4 | 111.0° | 109.8° |
| C5 | C4 | C2 | 112.3° | 109.4° |
| C4 | C5 | C6 | 115.1° | 109.5° |
| C5 | C4 | H4 | 109.5° | 109.3° |
| C4 | C5 | H51C | 108.0° | 109.5° |
| C4 | C5 | H52C | 108.1° | 109.5° |
| C4 | C2 | C3 | 112.6° | 109.9° |
| C4 | C2 | C1 | 111.8° | 109.8° |
| C2 | C4 | H4 | 109.4° | 109.0° |
| C4 | C2 | HA | 106.6° | 108.7° |
| C6 | C5 | H51C | 108.1° | 109.5° |
| C6 | C5 | H52C | 108.0° | 109.5° |
| C5 | C6 | H61C | 109.5° | 109.5° |
| C5 | C6 | H62C | 109.5° | 109.5° |
| C5 | C6 | H63C | 109.4° | 109.5° |
| C3 | C2 | C1 | 112.1° | 110.4° |
| C3 | C2 | HA | 106.6° | 109.1° |
| C2 | C3 | H31C | 109.5° | 109.5° |
| C2 | C3 | H32C | 109.5° | 109.5° |
| C2 | C3 | H33C | 109.4° | 109.5° |
| C2 | C1 | H1 | 119.0° | 119.1° |
| C1 | C2 | HA | 106.7° | 108.9° |
| O2 | C11 | O3 | 120.5° | 120.0° |
| O2 | C11 | C12 | 110.5° | 120.0° |
| O3 | C11 | C12 | 128.9° | 120.0° |
| C11 | C12 | C17 | 122.6° | 120.2° |
| C11 | C12 | C13 | 118.9° | 120.2° |
| C17 | C12 | C13 | 118.6° | 119.7° |
| C12 | C17 | C18 | 121.5° | 120.0° |
| C12 | C17 | C16 | 117.0° | 119.9° |
| C12 | C13 | C14 | 122.0° | 119.8° |
| C12 | C13 | H13 | 119.0° | 120.0° |
| C18 | C17 | C16 | 121.5° | 120.0° |
| C17 | C18 | N | 112.1° | 109.4° |
| C17 | C18 | H181 | 108.8° | 109.5° |
| C17 | C18 | H182 | 108.8° | 109.5° |
| C17 | C16 | C15 | 122.0° | 120.1° |
| C17 | C16 | H16 | 119.0° | 120.0° |
| C18 | N | C20 | 108.0° | 111.0° |
| C18 | N | C19 | 111.7° | 111.0° |
| N | C18 | H181 | 108.8° | 109.4° |
| N | C18 | H182 | 108.8° | 109.4° |
| C20 | N | C19 | 113.8° | 111.0° |
| N | C20 | H201 | 109.5° | 109.4° |
| N | C20 | H202 | 109.4° | 109.5° |
| N | C20 | H203 | 109.5° | 109.4° |
| N | C19 | H191 | 109.5° | 109.4° |
| N | C19 | H192 | 109.5° | 109.5° |
| N | C19 | H193 | 109.5° | 109.4° |
| C16 | C15 | C14 | 121.6° | 120.3° |
| C15 | C16 | H16 | 119.0° | 119.9° |
| C16 | C15 | H15 | 119.2° | 119.9° |
| C15 | C14 | C13 | 119.0° | 120.2° |
| C14 | C15 | H15 | 119.2° | 119.8° |
| C15 | C14 | H14 | 120.5° | 119.9° |
| C14 | C13 | H13 | 119.0° | 120.2° |
| C13 | C14 | H14 | 120.5° | 119.9° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.4° |
| H252 | C25 | H253 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 105.6° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.4° |
| H222 | C22 | H223 | 109.4° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H91C | C9 | H93C | 109.5° | 109.5° |
| H92C | C9 | H93C | 109.5° | 109.4° |
| H51C | C5 | H52C | 109.5° | 109.4° |
| H61C | C6 | H62C | 109.4° | 109.5° |
| H61C | C6 | H63C | 109.5° | 109.4° |
| H62C | C6 | H63C | 109.4° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H31C | C3 | H33C | 109.5° | 109.5° |
| H32C | C3 | H33C | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.6° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C26 | C | C24 | 175.9° | 179.7° |
| O4 | C26 | C | C1 | 5.5° | 1.0° |
| O4 | C26 | C24 | C25 | 86.8° | 142.7° |
| O4 | C26 | C24 | C23 | 142.4° | 88.8° |
| O4 | C26 | C | H | 174.5° | 178.8° |
| O4 | C26 | C24 | H24 | 27.4° | 28.2° |
| C26 | C | C1 | H | 180.0° | 179.8° |
| C | C26 | C24 | C25 | 97.1° | 37.0° |
| C | C26 | C24 | C23 | 33.7° | 91.5° |
| C26 | C | C1 | C2 | 178.4° | 177.2° |
| C | C26 | C24 | H24 | 148.6° | 151.5° |
| C26 | C | C1 | H1 | 1.6° | 2.1° |
| C24 | C26 | C | C1 | 170.4° | 179.4° |
| C26 | C24 | C25 | C23 | 128.6° | 129.8° |
| C26 | C24 | C25 | H24 | 114.4° | 114.6° |
| C26 | C24 | C23 | H24 | 115.2° | 116.7° |
| C26 | C24 | C23 | C21 | 100.9° | 39.7° |
| C24 | C26 | C | H | 9.6° | 0.8° |
| C26 | C24 | C25 | H251 | 180.0° | 60.0° |
| C26 | C24 | C25 | H252 | 60.0° | 180.0° |
| C26 | C24 | C25 | H253 | 60.0° | 59.9° |
| C26 | C24 | C23 | H231 | 137.4° | 162.5° |
| C26 | C24 | C23 | H232 | 20.9° | 83.1° |
| C | C1 | C2 | C4 | 63.0° | 79.2° |
| C | C1 | C2 | C3 | 64.5° | 42.1° |
| C | C1 | C2 | H1 | 180.0° | 179.3° |
| C | C1 | C2 | HA | 179.2° | 161.9° |
| C25 | C24 | C23 | H24 | 117.1° | 115.1° |
| C25 | C24 | C23 | C21 | 26.9° | 88.5° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C24 | C23 | H231 | 94.8° | 34.3° |
| C25 | C24 | C23 | H232 | 148.6° | 148.7° |
| C24 | C23 | C21 | H231 | 121.7° | 122.9° |
| C24 | C23 | C21 | H232 | 121.7° | 122.9° |
| C24 | C23 | C21 | C22 | 20.4° | 58.7° |
| C24 | C23 | C21 | C10 | 151.2° | 69.0° |
| C23 | C24 | C25 | H251 | 51.4° | 170.2° |
| C23 | C24 | C25 | H252 | 68.6° | 50.2° |
| C23 | C24 | C25 | H253 | 171.4° | 69.8° |
| C24 | C23 | H231 | H232 | 114.4° | 116.3° |
| C24 | C23 | C21 | H21 | 96.2° | 174.7° |
| C23 | C21 | C22 | C10 | 129.7° | 127.4° |
| C23 | C21 | C22 | H21 | 116.7° | 116.1° |
| C23 | C21 | C10 | H21 | 112.6° | 116.3° |
| C23 | C21 | C10 | C8 | 94.6° | 175.7° |
| C23 | C21 | C10 | O2 | 158.3° | 64.2° |
| C21 | C23 | C24 | H24 | 144.0° | 156.4° |
| C21 | C23 | H231 | H232 | 114.4° | 116.0° |
| C23 | C21 | C22 | H221 | 180.0° | 53.5° |
| C23 | C21 | C22 | H222 | 60.0° | 173.4° |
| C23 | C21 | C22 | H223 | 60.0° | 66.5° |
| C23 | C21 | C10 | H10 | 37.2° | 54.9° |
| C22 | C21 | C10 | H21 | 113.6° | 116.3° |
| C22 | C21 | C10 | C8 | 39.2° | 48.3° |
| C22 | C21 | C10 | O2 | 67.8° | 168.4° |
| C22 | C21 | C23 | H231 | 142.1° | 64.2° |
| C22 | C21 | C23 | H232 | 101.3° | 178.3° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 120.1° |
| C22 | C21 | C10 | H10 | 171.1° | 72.5° |
| C21 | C10 | C8 | O2 | 109.6° | 120.5° |
| C21 | C10 | C8 | H10 | 131.8° | 122.6° |
| C21 | C10 | O2 | H10 | 119.4° | 120.9° |
| C21 | C10 | C8 | C9 | 146.6° | 124.6° |
| C21 | C10 | C8 | C7 | 87.4° | 117.2° |
| C21 | C10 | O2 | C11 | 96.4° | 145.3° |
| C10 | C21 | C23 | H231 | 87.1° | 168.1° |
| C10 | C21 | C23 | H232 | 29.5° | 54.0° |
| C10 | C21 | C22 | H221 | 50.2° | 179.1° |
| C10 | C21 | C22 | H222 | 69.7° | 59.2° |
| C10 | C21 | C22 | H223 | 170.3° | 60.9° |
| C21 | C10 | C8 | H8 | 30.5° | 4.2° |
| C8 | C10 | O2 | H10 | 116.7° | 116.9° |
| C10 | C8 | C9 | C7 | 128.7° | 118.0° |
| C10 | C8 | C9 | H8 | 116.2° | 122.2° |
| C10 | C8 | C7 | H8 | 117.7° | 122.6° |
| C10 | C8 | C7 | O1 | 45.2° | 110.3° |
| C10 | C8 | C7 | O | 136.2° | 69.4° |
| C8 | C10 | O2 | C11 | 139.7° | 92.5° |
| C8 | C10 | C21 | H21 | 152.8° | 68.0° |
| C10 | C8 | C9 | H91C | 180.0° | 65.7° |
| C10 | C8 | C9 | H92C | 60.0° | 174.2° |
| C10 | C8 | C9 | H93C | 60.0° | 54.3° |
| O2 | C10 | C8 | C9 | 37.0° | 4.1° |
| O2 | C10 | C8 | C7 | 162.9° | 122.3° |
| C10 | O2 | C11 | O3 | 39.9° | 1.9° |
| C10 | O2 | C11 | C12 | 142.3° | 178.1° |
| O2 | C10 | C21 | H21 | 45.7° | 52.1° |
| O2 | C10 | C8 | H8 | 79.2° | 116.3° |
| C9 | C8 | C7 | H8 | 114.8° | 119.0° |
| C9 | C8 | C7 | O1 | 82.3° | 8.0° |
| C9 | C8 | C7 | O | 96.3° | 172.3° |
| C9 | C8 | C10 | H10 | 81.5° | 112.8° |
| C8 | C9 | H91C | H92C | 120.0° | 120.0° |
| C8 | C9 | H91C | H93C | 120.0° | 120.0° |
| C8 | C9 | H92C | H93C | 120.0° | 120.0° |
| C8 | C7 | O1 | O | 178.5° | 179.7° |
| C8 | C7 | O | C4 | 161.7° | 172.5° |
| C7 | C8 | C10 | H10 | 44.4° | 5.3° |
| C7 | C8 | C9 | H91C | 51.3° | 52.3° |
| C7 | C8 | C9 | H92C | 171.3° | 67.7° |
| C7 | C8 | C9 | H93C | 68.7° | 172.3° |
| O1 | C7 | O | C4 | 19.7° | 7.2° |
| O1 | C7 | C8 | H8 | 162.9° | 127.1° |
| C7 | O | C4 | C5 | 117.5° | 126.6° |
| C7 | O | C4 | C2 | 121.6° | 113.3° |
| O | C7 | C8 | H8 | 18.5° | 53.2° |
| C7 | O | C4 | H4 | 1.2° | 6.4° |
| O | C4 | C5 | C2 | 118.6° | 120.2° |
| O | C4 | C5 | H4 | 119.7° | 120.5° |
| O | C4 | C2 | H4 | 121.4° | 120.2° |
| O | C4 | C5 | C6 | 165.9° | 65.0° |
| O | C4 | C2 | C3 | 46.5° | 92.7° |
| O | C4 | C2 | C1 | 80.8° | 28.9° |
| O | C4 | C5 | H51C | 45.1° | 175.0° |
| O | C4 | C5 | H52C | 73.3° | 55.0° |
| O | C4 | C2 | HA | 163.0° | 148.0° |
| C5 | C4 | C2 | H4 | 121.8° | 119.5° |
| C4 | C5 | C6 | H51C | 120.8° | 120.1° |
| C4 | C5 | C6 | H52C | 120.8° | 120.0° |
| C5 | C4 | C2 | C3 | 70.3° | 27.6° |
| C5 | C4 | C2 | C1 | 162.4° | 149.2° |
| C4 | C5 | H51C | H52C | 117.5° | 120.0° |
| C5 | C4 | C2 | HA | 46.2° | 91.7° |
| C4 | C5 | C6 | H61C | 180.0° | 180.0° |
| C4 | C5 | C6 | H62C | 60.0° | 60.0° |
| C4 | C5 | C6 | H63C | 60.0° | 60.1° |
| C2 | C4 | C5 | C6 | 47.2° | 174.9° |
| C4 | C2 | C3 | C1 | 127.1° | 121.2° |
| C4 | C2 | C3 | HA | 116.5° | 119.1° |
| C4 | C2 | C1 | HA | 116.1° | 118.9° |
| C4 | C2 | C1 | H1 | 117.0° | 100.1° |
| C2 | C4 | C5 | H51C | 73.6° | 54.8° |
| C2 | C4 | C5 | H52C | 168.0° | 65.1° |
| C4 | C2 | C3 | H31C | 180.0° | 60.0° |
| C4 | C2 | C3 | H32C | 60.0° | 180.0° |
| C4 | C2 | C3 | H33C | 60.0° | 60.0° |
| C6 | C5 | C4 | H4 | 74.5° | 55.5° |
| C6 | C5 | H51C | H52C | 117.5° | 120.0° |
| C5 | C6 | H61C | H62C | 120.0° | 120.0° |
| C5 | C6 | H61C | H63C | 120.0° | 120.0° |
| C5 | C6 | H62C | H63C | 120.0° | 120.1° |
| C3 | C2 | C1 | HA | 116.4° | 119.7° |
| C3 | C2 | C1 | H1 | 115.5° | 138.5° |
| C3 | C2 | C4 | H4 | 167.9° | 147.1° |
| C2 | C3 | H31C | H32C | 120.0° | 120.0° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C2 | C1 | C | H | 1.6° | 3.0° |
| C1 | C2 | C4 | H4 | 40.7° | 91.3° |
| C1 | C2 | C3 | H31C | 52.9° | 178.8° |
| C1 | C2 | C3 | H32C | 67.1° | 58.7° |
| C1 | C2 | C3 | H33C | 173.0° | 61.3° |
| O2 | C11 | O3 | C12 | 177.4° | 180.0° |
| O2 | C11 | C12 | C17 | 178.2° | 174.9° |
| O2 | C11 | C12 | C13 | 1.9° | 4.9° |
| C11 | O2 | C10 | H10 | 23.0° | 24.5° |
| O3 | C11 | C12 | C17 | 0.6° | 5.1° |
| O3 | C11 | C12 | C13 | 179.6° | 175.1° |
| C11 | C12 | C17 | C13 | 179.9° | 179.8° |
| C11 | C12 | C17 | C18 | 0.8° | 0.1° |
| C11 | C12 | C17 | C16 | 178.9° | 180.0° |
| C11 | C12 | C13 | C14 | 178.9° | 179.7° |
| C11 | C12 | C13 | H13 | 1.1° | 0.1° |
| C12 | C17 | C18 | C16 | 178.0° | 180.0° |
| C12 | C17 | C18 | N | 67.7° | 76.1° |
| C12 | C17 | C16 | C15 | 0.5° | 0.0° |
| C17 | C12 | C13 | C14 | 1.0° | 0.5° |
| C17 | C12 | C13 | H13 | 179.0° | 179.8° |
| C12 | C17 | C18 | H181 | 171.9° | 43.8° |
| C12 | C17 | C18 | H182 | 52.7° | 164.0° |
| C12 | C17 | C16 | H16 | 179.6° | 180.0° |
| C13 | C12 | C17 | C18 | 179.1° | 179.7° |
| C13 | C12 | C17 | C16 | 1.0° | 0.2° |
| C12 | C13 | C14 | C15 | 0.4° | 0.5° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | H14 | 179.6° | 179.8° |
| C17 | C18 | N | H181 | 120.4° | 120.0° |
| C17 | C18 | N | H182 | 120.4° | 120.0° |
| C17 | C18 | N | C20 | 76.8° | 171.0° |
| C17 | C18 | N | C19 | 157.3° | 65.0° |
| C18 | C17 | C16 | C15 | 178.5° | 179.9° |
| C17 | C18 | H181 | H182 | 118.8° | 120.1° |
| C18 | C17 | C16 | H16 | 1.5° | 0.0° |
| C16 | C17 | C18 | N | 114.3° | 103.9° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.1° | 0.1° |
| C16 | C17 | C18 | H181 | 6.1° | 136.1° |
| C16 | C17 | C18 | H182 | 125.3° | 16.0° |
| C17 | C16 | C15 | H15 | 179.8° | 180.0° |
| C18 | N | C20 | C19 | 124.7° | 124.0° |
| N | C18 | H181 | H182 | 118.8° | 120.0° |
| C18 | N | C20 | H201 | 180.0° | 60.0° |
| C18 | N | C20 | H202 | 60.0° | 180.0° |
| C18 | N | C20 | H203 | 60.0° | 60.0° |
| C18 | N | C19 | H191 | 180.0° | 65.5° |
| C18 | N | C19 | H192 | 60.0° | 174.4° |
| C18 | N | C19 | H193 | 60.0° | 54.5° |
| C20 | N | C18 | H181 | 43.6° | 51.0° |
| C20 | N | C18 | H182 | 162.8° | 69.1° |
| N | C20 | H201 | H202 | 120.0° | 120.0° |
| N | C20 | H201 | H203 | 120.0° | 119.9° |
| N | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | N | C19 | H191 | 57.4° | 170.5° |
| C20 | N | C19 | H192 | 62.7° | 50.5° |
| C20 | N | C19 | H193 | 177.4° | 69.5° |
| C19 | N | C18 | H181 | 82.3° | 175.0° |
| C19 | N | C18 | H182 | 36.9° | 54.9° |
| C19 | N | C20 | H201 | 55.3° | 64.0° |
| C19 | N | C20 | H202 | 175.3° | 56.0° |
| C19 | N | C20 | H203 | 64.7° | 176.1° |
| N | C19 | H191 | H192 | 120.0° | 120.0° |
| N | C19 | H191 | H193 | 120.0° | 119.9° |
| N | C19 | H192 | H193 | 120.0° | 120.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.2° | 0.3° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.7° |
| C15 | C14 | C13 | H13 | 179.6° | 179.7° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C13 | C14 | C15 | H15 | 179.8° | 179.8° |
| H | C | C1 | H1 | 178.4° | 177.7° |
| H24 | C24 | C25 | H251 | 65.6° | 54.6° |
| H24 | C24 | C25 | H252 | 174.4° | 65.4° |
| H24 | C24 | C25 | H253 | 54.4° | 174.6° |
| H24 | C24 | C23 | H231 | 22.3° | 80.8° |
| H24 | C24 | C23 | H232 | 94.3° | 33.6° |
| H1 | C1 | C2 | HA | 0.8° | 18.8° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H231 | C23 | C21 | H21 | 25.5° | 51.8° |
| H232 | C23 | C21 | H21 | 142.0° | 62.3° |
| H21 | C21 | C22 | H221 | 63.3° | 62.7° |
| H21 | C21 | C22 | H222 | 176.7° | 57.3° |
| H21 | C21 | C22 | H223 | 56.7° | 177.4° |
| H21 | C21 | C10 | H10 | 75.4° | 171.2° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H10 | C10 | C8 | H8 | 162.3° | 126.8° |
| H8 | C8 | C9 | H91C | 63.8° | 172.0° |
| H8 | C8 | C9 | H92C | 56.2° | 52.0° |
| H8 | C8 | C9 | H93C | 176.2° | 68.0° |
| H91C | C9 | H92C | H93C | 120.0° | 120.0° |
| H4 | C4 | C5 | H51C | 164.7° | 64.5° |
| H4 | C4 | C5 | H52C | 46.4° | 175.5° |
| H4 | C4 | C2 | HA | 75.6° | 27.8° |
| H51C | C5 | C6 | H61C | 59.2° | 59.9° |
| H51C | C5 | C6 | H62C | 179.2° | 179.9° |
| H51C | C5 | C6 | H63C | 60.8° | 60.0° |
| H52C | C5 | C6 | H61C | 59.2° | 60.0° |
| H52C | C5 | C6 | H62C | 60.8° | 60.0° |
| H52C | C5 | C6 | H63C | 179.2° | 180.0° |
| HA | C2 | C3 | H31C | 63.5° | 59.1° |
| HA | C2 | C3 | H32C | 176.5° | 61.0° |
| HA | C2 | C3 | H33C | 56.5° | 179.1° |
| H61C | C6 | H62C | H63C | 120.0° | 119.9° |
| H31C | C3 | H32C | H33C | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 0.4° | 0.0° |
| H16 | C16 | C15 | H15 | 0.2° | 0.1° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| H15 | C15 | C14 | H14 | 0.2° | 0.1° |
