U4W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F40 | C35 | sing | 1.35Å | 1.39Å | |
| C35 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C36 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | F39 | sing | 1.35Å | 1.33Å | |
| C37 | C38 | sing | 1.39Å | 1.41Å | Aromatic |
| C38 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.53Å | |
| C32 | C26 | sing | 1.51Å | 1.50Å | |
| C26 | C27 | sing | 1.39Å | 1.45Å | Aromatic |
| C26 | C25 | doub | 1.37Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.37Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C29 | N30 | sing | 1.37Å | 1.35Å | Aromatic |
| C29 | C24 | doub | 1.41Å | 1.40Å | Aromatic |
| N30 | N31 | sing | 1.40Å | 1.39Å | Aromatic |
| N31 | C23 | doub | 1.31Å | 1.33Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.46Å | 1.45Å | Aromatic |
| C23 | N22 | sing | 1.40Å | 1.40Å | |
| N22 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | O41 | doub | 1.22Å | 1.21Å | |
| C21 | C9 | sing | 1.47Å | 1.55Å | |
| C9 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.37Å | Aromatic |
| C8 | N7 | sing | 1.39Å | 1.34Å | |
| C8 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| N7 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C1 | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O42 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.39Å | 1.36Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | N14 | sing | 1.39Å | 1.47Å | |
| C11 | C10 | sing | 1.36Å | 1.42Å | Aromatic |
| N14 | C15 | sing | 1.47Å | 1.43Å | |
| N14 | C19 | sing | 1.47Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N17 | sing | 1.47Å | 1.45Å | |
| N17 | C20 | sing | 1.47Å | 1.50Å | |
| N17 | C18 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F40 | C35 | C36 | 117.9° | 120.0° |
| F40 | C35 | C34 | 119.7° | 120.0° |
| C36 | C35 | C34 | 122.4° | 120.0° |
| C35 | C36 | C37 | 117.8° | 119.9° |
| C35 | C36 | H36 | 121.1° | 120.1° |
| C35 | C34 | C33 | 119.8° | 120.0° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C36 | C37 | F39 | 119.8° | 120.0° |
| C36 | C37 | C38 | 122.3° | 119.9° |
| C37 | C36 | H36 | 121.1° | 120.0° |
| F39 | C37 | C38 | 117.9° | 120.0° |
| C37 | C38 | C33 | 119.2° | 120.0° |
| C37 | C38 | H38 | 120.4° | 120.0° |
| C38 | C33 | C34 | 118.5° | 120.1° |
| C38 | C33 | C32 | 121.4° | 120.0° |
| C33 | C38 | H38 | 120.4° | 120.0° |
| C34 | C33 | C32 | 119.9° | 120.0° |
| C33 | C34 | H34 | 120.1° | 120.0° |
| C33 | C32 | C26 | 106.4° | 109.5° |
| C33 | C32 | H321 | 110.2° | 109.5° |
| C33 | C32 | H322 | 110.2° | 109.5° |
| C32 | C26 | C27 | 119.1° | 119.7° |
| C32 | C26 | C25 | 121.8° | 119.7° |
| C26 | C32 | H321 | 110.2° | 109.5° |
| C26 | C32 | H322 | 110.2° | 109.4° |
| C27 | C26 | C25 | 119.0° | 120.6° |
| C26 | C27 | C28 | 116.3° | 120.8° |
| C26 | C27 | H27 | 121.9° | 119.5° |
| C26 | C25 | C24 | 121.8° | 119.6° |
| C26 | C25 | H25 | 119.1° | 120.2° |
| C27 | C28 | C29 | 125.7° | 119.8° |
| C28 | C27 | H27 | 121.9° | 119.6° |
| C27 | C28 | H28 | 117.1° | 120.1° |
| C28 | C29 | N30 | 132.2° | 133.8° |
| C28 | C29 | C24 | 116.6° | 119.4° |
| C29 | C28 | H28 | 117.2° | 120.1° |
| N30 | C29 | C24 | 110.9° | 106.8° |
| C29 | N30 | N31 | 109.1° | 109.2° |
| C29 | N30 | H30 | 125.4° | 125.4° |
| C29 | C24 | C25 | 120.4° | 119.7° |
| C29 | C24 | C23 | 101.9° | 106.3° |
| N30 | N31 | C23 | 106.5° | 110.1° |
| N31 | N30 | H30 | 125.5° | 125.5° |
| N31 | C23 | C24 | 111.6° | 107.6° |
| N31 | C23 | N22 | 118.4° | 126.2° |
| C25 | C24 | C23 | 137.7° | 134.0° |
| C24 | C25 | H25 | 119.1° | 120.2° |
| C24 | C23 | N22 | 130.0° | 126.2° |
| C23 | N22 | C21 | 126.3° | 120.0° |
| C23 | N22 | H22 | 116.9° | 120.0° |
| N22 | C21 | O41 | 122.5° | 120.0° |
| N22 | C21 | C9 | 114.0° | 120.0° |
| C21 | N22 | H22 | 116.8° | 120.0° |
| O41 | C21 | C9 | 123.4° | 120.0° |
| C21 | C9 | C8 | 117.9° | 120.1° |
| C21 | C9 | C10 | 119.3° | 120.2° |
| C8 | C9 | C10 | 122.4° | 119.7° |
| C9 | C8 | N7 | 119.1° | 120.2° |
| C9 | C8 | C13 | 117.8° | 119.6° |
| C9 | C10 | C11 | 118.4° | 120.1° |
| C9 | C10 | H10 | 120.8° | 119.9° |
| N7 | C8 | C13 | 122.9° | 120.2° |
| C8 | N7 | C6 | 126.3° | 119.9° |
| C8 | N7 | H7 | 105.1° | 120.0° |
| C8 | C13 | C12 | 119.7° | 119.9° |
| C8 | C13 | H13 | 120.1° | 120.1° |
| N7 | C6 | C1 | 108.5° | 109.4° |
| N7 | C6 | C5 | 111.8° | 109.4° |
| C6 | N7 | H7 | 105.1° | 120.0° |
| N7 | C6 | H6 | 110.6° | 109.5° |
| C1 | C6 | C5 | 105.9° | 109.5° |
| C6 | C1 | C2 | 108.5° | 109.4° |
| C1 | C6 | H6 | 110.2° | 109.5° |
| C6 | C1 | H11C | 109.7° | 109.5° |
| C6 | C1 | H12C | 109.7° | 109.5° |
| C6 | C5 | C4 | 110.0° | 109.5° |
| C5 | C6 | H6 | 109.8° | 109.5° |
| C6 | C5 | H51C | 109.4° | 109.5° |
| C6 | C5 | H52C | 109.3° | 109.5° |
| C1 | C2 | C3 | 99.9° | 109.5° |
| C2 | C1 | H11C | 109.7° | 109.5° |
| C2 | C1 | H12C | 109.7° | 109.4° |
| C1 | C2 | H21C | 111.8° | 109.5° |
| C1 | C2 | H22C | 111.8° | 109.5° |
| C2 | C3 | O42 | 106.4° | 109.4° |
| C2 | C3 | C4 | 111.0° | 109.5° |
| C3 | C2 | H21C | 111.8° | 109.4° |
| C3 | C2 | H22C | 111.8° | 109.5° |
| C2 | C3 | H3 | 111.1° | 109.5° |
| O42 | C3 | C4 | 105.9° | 109.5° |
| O42 | C3 | H3 | 111.8° | 109.4° |
| C3 | O42 | H42 | 109.5° | 114.0° |
| C3 | C4 | C5 | 106.1° | 109.4° |
| C4 | C3 | H3 | 110.5° | 109.5° |
| C3 | C4 | H41C | 110.3° | 109.5° |
| C3 | C4 | H42C | 110.3° | 109.5° |
| C4 | C5 | H51C | 109.3° | 109.4° |
| C4 | C5 | H52C | 109.3° | 109.5° |
| C5 | C4 | H41C | 110.3° | 109.4° |
| C5 | C4 | H42C | 110.3° | 109.5° |
| C13 | C12 | C11 | 122.3° | 120.2° |
| C13 | C12 | N14 | 120.8° | 119.9° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| C11 | C12 | N14 | 116.8° | 119.9° |
| C12 | C11 | C10 | 118.8° | 120.4° |
| C12 | C11 | H11 | 120.6° | 119.8° |
| C12 | N14 | C15 | 110.8° | 111.0° |
| C12 | N14 | C19 | 109.7° | 111.0° |
| C11 | C10 | H10 | 120.8° | 120.0° |
| C10 | C11 | H11 | 120.6° | 119.8° |
| C15 | N14 | C19 | 113.3° | 110.9° |
| N14 | C15 | C16 | 109.0° | 109.4° |
| N14 | C15 | H151 | 109.6° | 109.5° |
| N14 | C15 | H152 | 109.6° | 109.5° |
| N14 | C19 | C18 | 101.7° | 109.4° |
| N14 | C19 | H191 | 111.4° | 109.5° |
| N14 | C19 | H192 | 111.4° | 109.5° |
| C15 | C16 | N17 | 105.8° | 109.3° |
| C16 | C15 | H151 | 109.6° | 109.5° |
| C16 | C15 | H152 | 109.6° | 109.5° |
| C15 | C16 | H161 | 110.4° | 109.5° |
| C15 | C16 | H162 | 110.4° | 109.5° |
| C16 | N17 | C20 | 108.3° | 111.0° |
| C16 | N17 | C18 | 110.9° | 110.9° |
| N17 | C16 | H161 | 110.4° | 109.5° |
| N17 | C16 | H162 | 110.4° | 109.5° |
| C20 | N17 | C18 | 110.8° | 111.0° |
| N17 | C20 | H201 | 109.5° | 109.5° |
| N17 | C20 | H202 | 109.5° | 109.5° |
| N17 | C20 | H203 | 109.5° | 109.4° |
| N17 | C18 | C19 | 107.6° | 109.4° |
| N17 | C18 | H181 | 109.9° | 109.4° |
| N17 | C18 | H182 | 109.9° | 109.5° |
| C18 | C19 | H191 | 111.4° | 109.5° |
| C18 | C19 | H192 | 111.4° | 109.5° |
| C19 | C18 | H181 | 109.9° | 109.5° |
| C19 | C18 | H182 | 109.9° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.4° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.6° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F40 | C35 | C36 | C34 | 177.8° | 179.8° |
| F40 | C35 | C36 | C37 | 177.8° | 180.0° |
| F40 | C35 | C34 | C33 | 179.4° | 179.7° |
| F40 | C35 | C36 | H36 | 2.2° | 0.1° |
| F40 | C35 | C34 | H34 | 0.6° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | F39 | 179.3° | 179.9° |
| C35 | C36 | C37 | C38 | 0.9° | 0.0° |
| C36 | C35 | C34 | C33 | 2.8° | 0.6° |
| C36 | C35 | C34 | H34 | 177.2° | 179.8° |
| C34 | C35 | C36 | C37 | 0.1° | 0.2° |
| C35 | C34 | C33 | C38 | 4.7° | 0.6° |
| C35 | C34 | C33 | H34 | 180.0° | 179.7° |
| C35 | C34 | C33 | C32 | 179.0° | 179.7° |
| C34 | C35 | C36 | H36 | 180.0° | 179.7° |
| C36 | C37 | F39 | C38 | 179.9° | 180.0° |
| C36 | C37 | C38 | C33 | 1.2° | 0.0° |
| C36 | C37 | C38 | H38 | 178.9° | 180.0° |
| F39 | C37 | C38 | C33 | 178.7° | 180.0° |
| F39 | C37 | C36 | H36 | 0.7° | 0.0° |
| F39 | C37 | C38 | H38 | 1.3° | 0.0° |
| C37 | C38 | C33 | H38 | 180.0° | 180.0° |
| C37 | C38 | C33 | C34 | 3.9° | 0.3° |
| C37 | C38 | C33 | C32 | 178.2° | 180.0° |
| C38 | C37 | C36 | H36 | 179.2° | 180.0° |
| C38 | C33 | C34 | C32 | 174.3° | 179.7° |
| C38 | C33 | C32 | C26 | 71.3° | 90.0° |
| C38 | C33 | C34 | H34 | 175.3° | 179.7° |
| C38 | C33 | C32 | H321 | 169.1° | 150.0° |
| C38 | C33 | C32 | H322 | 48.2° | 30.0° |
| C34 | C33 | C32 | C26 | 102.8° | 89.7° |
| C34 | C33 | C38 | H38 | 176.1° | 179.7° |
| C34 | C33 | C32 | H321 | 16.7° | 30.3° |
| C34 | C33 | C32 | H322 | 137.7° | 150.4° |
| C33 | C32 | C26 | H321 | 119.5° | 120.0° |
| C33 | C32 | C26 | H322 | 119.5° | 120.0° |
| C33 | C32 | C26 | C27 | 110.8° | 90.0° |
| C33 | C32 | C26 | C25 | 66.2° | 90.2° |
| C32 | C33 | C34 | H34 | 1.0° | 0.1° |
| C32 | C33 | C38 | H38 | 1.9° | 0.0° |
| C33 | C32 | H321 | H322 | 121.4° | 120.0° |
| C32 | C26 | C27 | C25 | 177.0° | 179.8° |
| C32 | C26 | C27 | C28 | 176.0° | 180.0° |
| C32 | C26 | C25 | C24 | 175.7° | 179.7° |
| C26 | C32 | H321 | H322 | 121.4° | 120.0° |
| C32 | C26 | C27 | H27 | 4.0° | 0.0° |
| C32 | C26 | C25 | H25 | 4.3° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 2.7° | 0.0° |
| C27 | C26 | C25 | C24 | 1.2° | 0.5° |
| C27 | C26 | C32 | H321 | 129.7° | 30.0° |
| C27 | C26 | C32 | H322 | 8.8° | 150.0° |
| C27 | C26 | C25 | H25 | 178.8° | 179.7° |
| C26 | C27 | C28 | H28 | 177.3° | 179.9° |
| C25 | C26 | C27 | C28 | 1.0° | 0.2° |
| C26 | C25 | C24 | C29 | 3.0° | 0.4° |
| C26 | C25 | C24 | H25 | 180.0° | 179.8° |
| C26 | C25 | C24 | C23 | 177.7° | 179.8° |
| C25 | C26 | C32 | H321 | 53.4° | 149.8° |
| C25 | C26 | C32 | H322 | 174.3° | 29.8° |
| C25 | C26 | C27 | H27 | 179.0° | 179.8° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | N30 | 177.4° | 180.0° |
| C27 | C28 | C29 | C24 | 4.4° | 0.0° |
| C28 | C29 | N30 | C24 | 173.2° | 179.9° |
| C28 | C29 | N30 | N31 | 175.6° | 180.0° |
| C28 | C29 | C24 | C25 | 4.3° | 0.2° |
| C28 | C29 | C24 | C23 | 176.2° | 180.0° |
| C29 | C28 | C27 | H27 | 177.2° | 180.0° |
| C28 | C29 | N30 | H30 | 4.4° | 0.1° |
| C29 | N30 | N31 | H30 | 180.0° | 180.0° |
| C29 | N30 | N31 | C23 | 1.8° | 0.0° |
| N30 | C29 | C24 | C25 | 178.8° | 179.8° |
| N30 | C29 | C24 | C23 | 1.7° | 0.0° |
| N30 | C29 | C28 | H28 | 2.6° | 0.1° |
| C24 | C29 | N30 | N31 | 2.3° | 0.0° |
| C29 | C24 | C23 | N31 | 0.6° | 0.0° |
| C29 | C24 | C25 | C23 | 179.3° | 179.7° |
| C29 | C24 | C23 | N22 | 178.3° | 180.0° |
| C29 | C24 | C25 | H25 | 177.0° | 179.7° |
| C24 | C29 | C28 | H28 | 175.6° | 180.0° |
| C24 | C29 | N30 | H30 | 177.7° | 180.0° |
| N30 | N31 | C23 | C24 | 0.7° | 0.0° |
| N30 | N31 | C23 | N22 | 177.2° | 180.0° |
| N31 | C23 | C24 | C25 | 179.9° | 179.7° |
| N31 | C23 | C24 | N22 | 177.7° | 180.0° |
| N31 | C23 | N22 | C21 | 156.3° | 0.0° |
| C23 | N31 | N30 | H30 | 178.1° | 180.0° |
| N31 | C23 | N22 | H22 | 23.7° | 180.0° |
| C25 | C24 | C23 | N22 | 2.4° | 0.2° |
| C24 | C23 | N22 | C21 | 26.2° | 179.9° |
| C23 | C24 | C25 | H25 | 2.3° | 0.0° |
| C24 | C23 | N22 | H22 | 153.8° | 0.0° |
| C23 | N22 | C21 | H22 | 180.0° | 179.9° |
| C23 | N22 | C21 | O41 | 8.9° | 0.0° |
| C23 | N22 | C21 | C9 | 174.8° | 180.0° |
| N22 | C21 | O41 | C9 | 175.9° | 180.0° |
| N22 | C21 | C9 | C8 | 159.4° | 174.4° |
| N22 | C21 | C9 | C10 | 27.4° | 5.9° |
| O41 | C21 | C9 | C8 | 24.4° | 5.6° |
| O41 | C21 | C9 | C10 | 148.8° | 174.1° |
| O41 | C21 | N22 | H22 | 171.1° | 180.0° |
| C21 | C9 | C8 | C10 | 173.0° | 179.7° |
| C21 | C9 | C8 | N7 | 3.0° | 0.0° |
| C21 | C9 | C8 | C13 | 178.8° | 180.0° |
| C21 | C9 | C10 | C11 | 178.4° | 179.7° |
| C9 | C21 | N22 | H22 | 5.2° | 0.1° |
| C21 | C9 | C10 | H10 | 1.6° | 0.0° |
| C9 | C8 | N7 | C13 | 175.5° | 179.9° |
| C9 | C8 | N7 | C6 | 169.8° | 174.3° |
| C9 | C8 | C13 | C12 | 5.0° | 0.0° |
| C8 | C9 | C10 | C11 | 8.7° | 0.6° |
| C8 | C9 | C10 | H10 | 171.3° | 179.7° |
| C9 | C8 | N7 | H7 | 47.6° | 5.7° |
| C9 | C8 | C13 | H13 | 175.0° | 180.0° |
| C10 | C9 | C8 | N7 | 176.0° | 179.7° |
| C10 | C9 | C8 | C13 | 8.2° | 0.3° |
| C9 | C10 | C11 | C12 | 5.9° | 0.6° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | H11 | 174.1° | 179.7° |
| C8 | N7 | C6 | H7 | 122.2° | 180.0° |
| C8 | N7 | C6 | C1 | 84.1° | 155.0° |
| C8 | N7 | C6 | C5 | 159.5° | 85.1° |
| N7 | C8 | C13 | C12 | 179.4° | 179.9° |
| N7 | C8 | C13 | H13 | 0.5° | 0.1° |
| C8 | N7 | C6 | H6 | 36.9° | 35.0° |
| C13 | C8 | N7 | C6 | 5.7° | 5.8° |
| C8 | C13 | C12 | H13 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 2.6° | 0.0° |
| C8 | C13 | C12 | N14 | 179.1° | 180.0° |
| C13 | C8 | N7 | H7 | 128.0° | 174.2° |
| N7 | C6 | C1 | C5 | 120.1° | 119.9° |
| N7 | C6 | C1 | H6 | 121.2° | 120.0° |
| N7 | C6 | C5 | H6 | 123.2° | 120.0° |
| N7 | C6 | C1 | C2 | 169.2° | 180.0° |
| N7 | C6 | C5 | C4 | 179.4° | 180.0° |
| N7 | C6 | C1 | H11C | 49.4° | 60.0° |
| N7 | C6 | C1 | H12C | 70.9° | 60.0° |
| N7 | C6 | C5 | H51C | 59.3° | 60.0° |
| N7 | C6 | C5 | H52C | 60.6° | 60.0° |
| C1 | C6 | C5 | H6 | 118.9° | 120.1° |
| C6 | C1 | C2 | H11C | 119.9° | 120.0° |
| C6 | C1 | C2 | H12C | 119.9° | 120.0° |
| C6 | C1 | C2 | C3 | 72.3° | 60.0° |
| C1 | C6 | C5 | C4 | 61.4° | 60.0° |
| C1 | C6 | N7 | H7 | 38.2° | 25.0° |
| C6 | C1 | H11C | H12C | 120.4° | 120.1° |
| C1 | C6 | C5 | H51C | 58.6° | 59.9° |
| C1 | C6 | C5 | H52C | 178.5° | 180.0° |
| C6 | C1 | C2 | H21C | 46.1° | 60.0° |
| C6 | C1 | C2 | H22C | 169.2° | 180.0° |
| C5 | C6 | C1 | C2 | 70.6° | 60.0° |
| C6 | C5 | C4 | C3 | 56.7° | 60.0° |
| C6 | C5 | C4 | H51C | 120.1° | 120.0° |
| C6 | C5 | C4 | H52C | 120.1° | 120.0° |
| C5 | C6 | N7 | H7 | 78.2° | 95.0° |
| C5 | C6 | C1 | H11C | 169.5° | 180.0° |
| C5 | C6 | C1 | H12C | 49.3° | 59.9° |
| C6 | C5 | H51C | H52C | 119.8° | 120.0° |
| C6 | C5 | C4 | H41C | 62.8° | 60.0° |
| C6 | C5 | C4 | H42C | 176.1° | 180.0° |
| C1 | C2 | C3 | H21C | 118.4° | 120.0° |
| C1 | C2 | C3 | H22C | 118.4° | 120.0° |
| C1 | C2 | C3 | O42 | 176.7° | 180.0° |
| C1 | C2 | C3 | C4 | 68.5° | 60.0° |
| C2 | C1 | C6 | H6 | 48.0° | 60.0° |
| C2 | C1 | H11C | H12C | 120.4° | 120.0° |
| C1 | C2 | H21C | H22C | 124.5° | 120.0° |
| C1 | C2 | C3 | H3 | 54.8° | 60.1° |
| C2 | C3 | O42 | C4 | 118.2° | 120.0° |
| C2 | C3 | O42 | H3 | 121.4° | 120.0° |
| C2 | C3 | C4 | H3 | 123.7° | 120.1° |
| C2 | C3 | C4 | C5 | 63.2° | 60.0° |
| C3 | C2 | C1 | H11C | 167.8° | 180.0° |
| C3 | C2 | C1 | H12C | 47.6° | 60.0° |
| C3 | C2 | H21C | H22C | 124.5° | 120.0° |
| C2 | C3 | O42 | H42 | 180.0° | 179.9° |
| C2 | C3 | C4 | H41C | 56.2° | 59.9° |
| C2 | C3 | C4 | H42C | 177.3° | 180.0° |
| O42 | C3 | C4 | H3 | 121.3° | 120.0° |
| O42 | C3 | C4 | C5 | 178.3° | 180.0° |
| O42 | C3 | C2 | H21C | 64.9° | 60.0° |
| O42 | C3 | C2 | H22C | 58.3° | 60.0° |
| O42 | C3 | C4 | H41C | 58.8° | 60.0° |
| O42 | C3 | C4 | H42C | 62.2° | 60.0° |
| C3 | C4 | C5 | H41C | 119.5° | 120.0° |
| C3 | C4 | C5 | H42C | 119.5° | 120.0° |
| C3 | C4 | C5 | H51C | 63.4° | 60.0° |
| C3 | C4 | C5 | H52C | 176.7° | 180.0° |
| C4 | C3 | C2 | H21C | 49.9° | 60.0° |
| C4 | C3 | C2 | H22C | 173.1° | 180.0° |
| C4 | C3 | O42 | H42 | 61.8° | 60.0° |
| C3 | C4 | H41C | H42C | 121.6° | 120.1° |
| C4 | C5 | C6 | H6 | 57.4° | 60.0° |
| C4 | C5 | H51C | H52C | 119.7° | 120.0° |
| C5 | C4 | C3 | H3 | 60.4° | 60.1° |
| C5 | C4 | H41C | H42C | 121.5° | 120.0° |
| C13 | C12 | C11 | N14 | 178.4° | 180.0° |
| C13 | C12 | C11 | C10 | 3.0° | 0.3° |
| C13 | C12 | N14 | C15 | 124.7° | 180.0° |
| C13 | C12 | N14 | C19 | 1.2° | 56.2° |
| C13 | C12 | C11 | H11 | 177.0° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.7° |
| C11 | C12 | N14 | C15 | 53.7° | 0.0° |
| C11 | C12 | N14 | C19 | 179.6° | 123.8° |
| C12 | C11 | C10 | H10 | 174.1° | 179.7° |
| C11 | C12 | C13 | H13 | 177.4° | 180.0° |
| N14 | C12 | C11 | C10 | 178.7° | 179.7° |
| C12 | N14 | C15 | C19 | 123.8° | 123.9° |
| C12 | N14 | C15 | C16 | 172.8° | 176.8° |
| C12 | N14 | C19 | C18 | 170.5° | 176.8° |
| N14 | C12 | C13 | H13 | 0.9° | 0.0° |
| N14 | C12 | C11 | H11 | 1.4° | 0.0° |
| C12 | N14 | C15 | H151 | 52.8° | 56.9° |
| C12 | N14 | C15 | H152 | 67.3° | 63.2° |
| C12 | N14 | C19 | H191 | 70.7° | 63.2° |
| C12 | N14 | C19 | H192 | 51.8° | 56.8° |
| N14 | C15 | C16 | H151 | 119.9° | 119.9° |
| N14 | C15 | C16 | H152 | 119.9° | 120.0° |
| N14 | C15 | C16 | N17 | 57.2° | 58.4° |
| C15 | N14 | C19 | C18 | 65.1° | 59.3° |
| N14 | C15 | H151 | H152 | 120.2° | 120.0° |
| C15 | N14 | C19 | H191 | 53.6° | 60.7° |
| C15 | N14 | C19 | H192 | 176.2° | 179.3° |
| N14 | C15 | C16 | H161 | 62.2° | 61.6° |
| N14 | C15 | C16 | H162 | 176.6° | 178.4° |
| C19 | N14 | C15 | C16 | 63.4° | 59.3° |
| N14 | C19 | C18 | N17 | 64.1° | 58.3° |
| N14 | C19 | C18 | H191 | 118.7° | 119.9° |
| N14 | C19 | C18 | H192 | 118.7° | 120.0° |
| C19 | N14 | C15 | H151 | 176.6° | 179.3° |
| C19 | N14 | C15 | H152 | 56.5° | 60.7° |
| N14 | C19 | H191 | H192 | 123.6° | 120.1° |
| N14 | C19 | C18 | H181 | 55.6° | 61.6° |
| N14 | C19 | C18 | H182 | 176.2° | 178.3° |
| C15 | C16 | N17 | H161 | 119.4° | 120.0° |
| C15 | C16 | N17 | H162 | 119.4° | 119.9° |
| C15 | C16 | N17 | C20 | 176.8° | 176.8° |
| C15 | C16 | N17 | C18 | 61.4° | 59.3° |
| C16 | C15 | H151 | H152 | 120.3° | 120.1° |
| C15 | C16 | H161 | H162 | 121.7° | 120.0° |
| C16 | N17 | C20 | C18 | 121.8° | 123.9° |
| C16 | N17 | C18 | C19 | 68.7° | 59.3° |
| N17 | C16 | C15 | H151 | 177.1° | 178.3° |
| N17 | C16 | C15 | H152 | 62.7° | 61.5° |
| N17 | C16 | H161 | H162 | 121.7° | 120.1° |
| C16 | N17 | C20 | H201 | 180.0° | 60.0° |
| C16 | N17 | C20 | H202 | 60.0° | 180.0° |
| C16 | N17 | C20 | H203 | 60.0° | 60.0° |
| C16 | N17 | C18 | H181 | 51.0° | 60.6° |
| C16 | N17 | C18 | H182 | 171.6° | 179.3° |
| C20 | N17 | C18 | C19 | 171.0° | 176.8° |
| C20 | N17 | C16 | H161 | 63.8° | 63.3° |
| C20 | N17 | C16 | H162 | 57.4° | 56.9° |
| N17 | C20 | H201 | H202 | 120.0° | 120.0° |
| N17 | C20 | H201 | H203 | 120.0° | 120.0° |
| N17 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | N17 | C18 | H181 | 69.3° | 63.2° |
| C20 | N17 | C18 | H182 | 51.3° | 56.8° |
| N17 | C18 | C19 | H181 | 119.7° | 119.9° |
| N17 | C18 | C19 | H182 | 119.7° | 120.0° |
| N17 | C18 | C19 | H191 | 54.7° | 61.6° |
| N17 | C18 | C19 | H192 | 177.2° | 178.4° |
| C18 | N17 | C16 | H161 | 58.0° | 60.6° |
| C18 | N17 | C16 | H162 | 179.2° | 179.3° |
| C18 | N17 | C20 | H201 | 58.2° | 176.1° |
| C18 | N17 | C20 | H202 | 61.8° | 56.2° |
| C18 | N17 | C20 | H203 | 178.2° | 63.8° |
| N17 | C18 | H181 | H182 | 120.9° | 120.1° |
| C18 | C19 | H191 | H192 | 123.6° | 120.0° |
| C19 | C18 | H181 | H182 | 120.8° | 120.1° |
| H27 | C27 | C28 | H28 | 2.8° | 0.1° |
| H10 | C10 | C11 | H11 | 5.9° | 0.0° |
| H7 | N7 | C6 | H6 | 159.1° | 145.0° |
| H6 | C6 | C1 | H11C | 71.8° | 60.0° |
| H6 | C6 | C1 | H12C | 167.9° | 180.0° |
| H6 | C6 | C5 | H51C | 177.5° | 180.0° |
| H6 | C6 | C5 | H52C | 62.6° | 60.0° |
| H11C | C1 | C2 | H21C | 73.8° | 60.0° |
| H11C | C1 | C2 | H22C | 49.4° | 60.0° |
| H12C | C1 | C2 | H21C | 165.9° | 180.0° |
| H12C | C1 | C2 | H22C | 70.9° | 60.0° |
| H51C | C5 | C4 | H41C | 177.1° | 180.0° |
| H51C | C5 | C4 | H42C | 56.0° | 60.0° |
| H52C | C5 | C4 | H41C | 57.3° | 60.0° |
| H52C | C5 | C4 | H42C | 63.8° | 60.0° |
| H21C | C2 | C3 | H3 | 173.2° | 180.0° |
| H22C | C2 | C3 | H3 | 63.6° | 60.0° |
| H3 | C3 | O42 | H42 | 58.6° | 60.0° |
| H3 | C3 | C4 | H41C | 179.9° | 180.0° |
| H3 | C3 | C4 | H42C | 59.0° | 59.9° |
| H151 | C15 | C16 | H161 | 57.7° | 58.4° |
| H151 | C15 | C16 | H162 | 63.5° | 61.7° |
| H152 | C15 | C16 | H161 | 177.9° | 178.5° |
| H152 | C15 | C16 | H162 | 56.7° | 58.4° |
| H191 | C19 | C18 | H181 | 174.4° | 178.5° |
| H191 | C19 | C18 | H182 | 65.0° | 58.4° |
| H192 | C19 | C18 | H181 | 63.1° | 58.4° |
| H192 | C19 | C18 | H182 | 57.5° | 61.6° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
