Z53
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F42 | C38 | sing | 1.40Å | 1.32Å | |
| C38 | F41 | sing | 1.40Å | 1.32Å | |
| C38 | F40 | sing | 1.40Å | 1.32Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| C54 | C53 | doub | 1.36Å | 1.39Å | Aromatic |
| C54 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.53Å | 1.33Å | |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C53 | C52 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N3 | sing | 1.47Å | 1.45Å | |
| N34 | C35 | sing | 1.46Å | 1.45Å | |
| N34 | C2 | sing | 1.35Å | 1.33Å | |
| C30 | C29 | doub | 1.41Å | 1.40Å | Aromatic |
| C30 | C21 | sing | 1.35Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.50Å | 1.52Å | |
| C29 | C28 | sing | 1.41Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.35Å | 1.32Å | |
| N3 | C17 | sing | 1.46Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | N19 | sing | 1.46Å | 1.48Å | |
| C52 | C51 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | N19 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | doub | 1.41Å | 1.39Å | Aromatic |
| C17 | N7 | sing | 1.46Å | 1.46Å | |
| C6 | O33 | doub | 1.21Å | 1.23Å | |
| C6 | N7 | sing | 1.34Å | 1.36Å | |
| N19 | C31 | sing | 1.33Å | 1.35Å | |
| C28 | C51 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.47Å | 1.40Å | Aromatic |
| N7 | C8 | sing | 1.47Å | 1.46Å | |
| C31 | O32 | doub | 1.21Å | 1.23Å | |
| C31 | C8 | sing | 1.50Å | 1.51Å | |
| C22 | C27 | sing | 1.41Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | doub | 1.36Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.37Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C46 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C46 | H26 | sing | 1.09Å | 1.10Å | |
| C46 | H27 | sing | 1.09Å | 1.10Å | |
| C46 | H28 | sing | 1.09Å | 1.10Å | |
| C51 | H29 | sing | 1.08Å | 1.08Å | |
| C52 | H30 | sing | 1.08Å | 1.08Å | |
| C53 | H31 | sing | 1.08Å | 1.08Å | |
| C54 | H32 | sing | 1.08Å | 1.08Å | |
| N34 | H33 | sing | 0.97Å | 1.00Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F42 | C38 | F41 | 107.8° | 109.5° |
| F42 | C38 | F40 | 109.2° | 109.4° |
| F42 | C38 | C37 | 110.4° | 109.5° |
| F41 | C38 | F40 | 111.0° | 109.5° |
| F41 | C38 | C37 | 110.5° | 109.5° |
| F40 | C38 | C37 | 108.0° | 109.5° |
| C38 | C37 | C36 | 119.6° | 109.5° |
| C38 | C37 | H25 | 106.9° | 109.4° |
| C38 | C37 | H35 | 106.9° | 109.5° |
| C53 | C54 | C29 | 121.0° | 119.8° |
| C54 | C53 | C52 | 119.0° | 120.9° |
| C54 | C53 | H31 | 120.5° | 119.6° |
| C53 | C54 | H32 | 119.5° | 120.1° |
| C54 | C29 | C30 | 120.5° | 121.0° |
| C54 | C29 | C28 | 119.6° | 119.2° |
| C29 | C54 | H32 | 119.5° | 120.1° |
| C37 | C36 | C35 | 120.3° | 109.5° |
| C37 | C36 | H24 | 106.7° | 109.5° |
| C36 | C37 | H25 | 106.9° | 109.5° |
| C37 | C36 | H34 | 106.7° | 109.5° |
| C36 | C37 | H35 | 106.9° | 109.5° |
| C36 | C35 | N34 | 111.0° | 109.5° |
| C36 | C35 | H22 | 109.1° | 109.5° |
| C36 | C35 | H23 | 109.1° | 109.4° |
| C35 | C36 | H24 | 106.7° | 109.4° |
| C35 | C36 | H34 | 106.7° | 109.5° |
| C53 | C52 | C51 | 120.4° | 120.7° |
| C53 | C52 | H30 | 119.8° | 119.6° |
| C52 | C53 | H31 | 120.4° | 119.5° |
| C5 | C4 | N3 | 98.3° | 107.8° |
| C4 | C5 | C6 | 109.1° | 109.0° |
| C5 | C4 | H1 | 112.2° | 109.8° |
| C5 | C4 | H2 | 112.2° | 109.8° |
| C4 | C5 | H3 | 109.5° | 109.6° |
| C4 | C5 | H4 | 109.6° | 109.6° |
| C4 | N3 | C2 | 125.6° | 120.0° |
| C4 | N3 | C17 | 112.2° | 119.9° |
| N3 | C4 | H1 | 112.2° | 109.8° |
| N3 | C4 | H2 | 112.2° | 109.8° |
| C35 | N34 | C2 | 120.8° | 120.0° |
| N34 | C35 | H22 | 109.1° | 109.5° |
| N34 | C35 | H23 | 109.1° | 109.5° |
| C35 | N34 | H33 | 119.6° | 120.0° |
| N34 | C2 | N3 | 117.4° | 120.0° |
| N34 | C2 | O1 | 121.1° | 120.1° |
| C2 | N34 | H33 | 119.6° | 120.0° |
| C29 | C30 | C21 | 120.3° | 121.4° |
| C30 | C29 | C28 | 119.9° | 119.8° |
| C29 | C30 | H21 | 119.8° | 119.3° |
| C30 | C21 | C20 | 120.5° | 119.2° |
| C30 | C21 | C22 | 119.5° | 121.5° |
| C21 | C30 | H21 | 119.8° | 119.3° |
| C5 | C6 | O33 | 116.7° | 118.5° |
| C5 | C6 | N7 | 119.6° | 122.9° |
| C6 | C5 | H3 | 109.6° | 109.6° |
| C6 | C5 | H4 | 109.5° | 109.6° |
| C29 | C28 | C51 | 119.7° | 119.7° |
| C29 | C28 | C27 | 119.8° | 118.7° |
| C2 | N3 | C17 | 122.0° | 120.1° |
| N3 | C2 | O1 | 121.5° | 120.0° |
| N3 | C17 | C18 | 110.2° | 109.5° |
| N3 | C17 | N7 | 107.5° | 111.5° |
| N3 | C17 | H12 | 111.3° | 108.8° |
| C17 | C18 | N19 | 109.9° | 110.6° |
| C18 | C17 | N7 | 106.3° | 108.4° |
| C18 | C17 | H12 | 110.1° | 109.3° |
| C17 | C18 | H13 | 109.3° | 109.2° |
| C17 | C18 | H14 | 109.4° | 109.2° |
| C18 | N19 | C20 | 116.0° | 117.8° |
| C18 | N19 | C31 | 124.2° | 124.5° |
| N19 | C18 | H13 | 109.4° | 109.3° |
| N19 | C18 | H14 | 109.4° | 109.2° |
| C52 | C51 | C28 | 120.2° | 119.7° |
| C52 | C51 | H29 | 119.9° | 120.1° |
| C51 | C52 | H30 | 119.8° | 119.7° |
| C21 | C20 | N19 | 112.8° | 109.5° |
| C20 | C21 | C22 | 120.0° | 119.3° |
| C21 | C20 | H15 | 108.6° | 109.4° |
| C21 | C20 | H16 | 108.6° | 109.5° |
| C20 | N19 | C31 | 119.7° | 117.8° |
| N19 | C20 | H15 | 108.6° | 109.5° |
| N19 | C20 | H16 | 108.6° | 109.5° |
| C21 | C22 | C27 | 120.2° | 119.8° |
| C21 | C22 | C23 | 120.0° | 121.0° |
| C17 | N7 | C6 | 122.8° | 123.7° |
| C17 | N7 | C8 | 114.5° | 117.0° |
| N7 | C17 | H12 | 111.3° | 109.4° |
| O33 | C6 | N7 | 123.7° | 118.5° |
| C6 | N7 | C8 | 122.7° | 119.3° |
| N19 | C31 | O32 | 120.8° | 118.4° |
| N19 | C31 | C8 | 119.9° | 123.1° |
| C51 | C28 | C27 | 120.4° | 121.5° |
| C28 | C51 | H29 | 119.9° | 120.2° |
| C28 | C27 | C22 | 120.2° | 118.7° |
| C28 | C27 | C26 | 119.9° | 121.6° |
| N7 | C8 | C31 | 109.0° | 108.8° |
| N7 | C8 | C9 | 108.8° | 109.5° |
| N7 | C8 | H5 | 111.0° | 109.7° |
| O32 | C31 | C8 | 119.3° | 118.5° |
| C31 | C8 | C9 | 107.6° | 109.6° |
| C31 | C8 | H5 | 110.3° | 109.7° |
| C27 | C22 | C23 | 119.8° | 119.2° |
| C22 | C27 | C26 | 119.8° | 119.7° |
| C22 | C23 | C24 | 120.4° | 119.7° |
| C22 | C23 | H17 | 119.8° | 120.1° |
| C27 | C26 | C25 | 120.1° | 119.7° |
| C27 | C26 | H20 | 120.0° | 120.2° |
| C8 | C9 | C10 | 116.4° | 109.5° |
| C8 | C9 | C46 | 111.1° | 109.5° |
| C9 | C8 | H5 | 109.9° | 109.6° |
| C8 | C9 | H6 | 106.9° | 109.4° |
| C23 | C24 | C25 | 119.8° | 120.9° |
| C24 | C23 | H17 | 119.7° | 120.1° |
| C23 | C24 | H18 | 120.1° | 119.5° |
| C26 | C25 | C24 | 120.1° | 120.7° |
| C26 | C25 | H19 | 120.0° | 119.6° |
| C25 | C26 | H20 | 120.0° | 120.1° |
| C10 | C9 | C46 | 108.0° | 109.5° |
| C9 | C10 | C11 | 109.1° | 109.4° |
| C10 | C9 | H6 | 107.0° | 109.5° |
| C9 | C10 | H7 | 109.5° | 109.4° |
| C9 | C10 | H8 | 109.5° | 109.5° |
| C46 | C9 | H6 | 107.0° | 109.5° |
| C9 | C46 | H26 | 109.5° | 109.5° |
| C9 | C46 | H27 | 109.5° | 109.5° |
| C9 | C46 | H28 | 109.4° | 109.4° |
| C11 | C10 | H7 | 109.6° | 109.5° |
| C11 | C10 | H8 | 109.5° | 109.5° |
| C10 | C11 | H9 | 109.5° | 109.5° |
| C10 | C11 | H10 | 109.5° | 109.4° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C25 | C24 | H18 | 120.1° | 119.6° |
| C24 | C25 | H19 | 120.0° | 119.6° |
| H1 | C4 | H2 | 109.5° | 109.8° |
| H3 | C5 | H4 | 109.5° | 109.6° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.4° |
| H9 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.4° | 109.5° |
| H13 | C18 | H14 | 109.4° | 109.2° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.4° |
| H24 | C36 | H34 | 109.4° | 109.4° |
| H25 | C37 | H35 | 109.5° | 109.5° |
| H26 | C46 | H27 | 109.5° | 109.6° |
| H26 | C46 | H28 | 109.5° | 109.4° |
| H27 | C46 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F42 | C38 | F41 | F40 | 119.5° | 120.0° |
| F42 | C38 | F41 | C37 | 120.7° | 120.0° |
| F42 | C38 | F40 | C37 | 120.1° | 120.0° |
| F42 | C38 | C37 | C36 | 54.1° | 180.0° |
| F42 | C38 | C37 | H25 | 175.5° | 60.0° |
| F42 | C38 | C37 | H35 | 67.4° | 60.0° |
| F41 | C38 | F40 | C37 | 121.2° | 120.0° |
| F41 | C38 | C37 | C36 | 65.1° | 60.0° |
| F41 | C38 | C37 | H25 | 56.3° | 60.0° |
| F41 | C38 | C37 | H35 | 173.5° | 180.0° |
| F40 | C38 | C37 | C36 | 173.4° | 60.0° |
| F40 | C38 | C37 | H25 | 65.2° | 180.0° |
| F40 | C38 | C37 | H35 | 52.0° | 60.0° |
| C38 | C37 | C36 | H25 | 121.4° | 120.0° |
| C38 | C37 | C36 | H35 | 121.4° | 120.0° |
| C38 | C37 | C36 | C35 | 179.7° | 180.0° |
| C38 | C37 | C36 | H24 | 58.1° | 60.0° |
| C38 | C37 | H25 | H35 | 115.4° | 120.0° |
| C38 | C37 | C36 | H34 | 58.8° | 59.9° |
| C53 | C54 | C29 | H32 | 180.0° | 179.9° |
| C54 | C53 | C52 | H31 | 180.0° | 179.9° |
| C53 | C54 | C29 | C30 | 179.7° | 179.6° |
| C53 | C54 | C29 | C28 | 0.3° | 0.1° |
| C54 | C53 | C52 | C51 | 1.1° | 0.1° |
| C54 | C53 | C52 | H30 | 178.9° | 180.0° |
| C29 | C54 | C53 | C52 | 0.7° | 0.1° |
| C54 | C29 | C30 | C28 | 179.5° | 179.7° |
| C54 | C29 | C30 | C21 | 178.9° | 179.7° |
| C54 | C29 | C28 | C51 | 0.3° | 0.0° |
| C54 | C29 | C28 | C27 | 179.9° | 180.0° |
| C54 | C29 | C30 | H21 | 1.1° | 0.3° |
| C29 | C54 | C53 | H31 | 179.3° | 180.0° |
| C37 | C36 | C35 | H24 | 121.5° | 120.0° |
| C37 | C36 | C35 | H34 | 121.5° | 120.0° |
| C37 | C36 | C35 | N34 | 75.9° | 180.0° |
| C37 | C36 | C35 | H22 | 163.9° | 60.0° |
| C37 | C36 | C35 | H23 | 44.4° | 60.0° |
| C37 | C36 | H24 | H34 | 115.1° | 120.0° |
| C36 | C37 | H25 | H35 | 115.4° | 120.0° |
| C36 | C35 | N34 | H22 | 120.2° | 120.0° |
| C36 | C35 | N34 | H23 | 120.3° | 120.0° |
| C36 | C35 | N34 | C2 | 102.0° | 180.0° |
| C36 | C35 | H22 | H23 | 119.3° | 119.9° |
| C35 | C36 | H24 | H34 | 115.1° | 120.0° |
| C35 | C36 | C37 | H25 | 58.9° | 60.0° |
| C36 | C35 | N34 | H33 | 78.0° | 0.1° |
| C35 | C36 | C37 | H35 | 58.2° | 60.0° |
| C53 | C52 | C51 | H30 | 180.0° | 180.0° |
| C53 | C52 | C51 | C28 | 1.1° | 0.0° |
| C53 | C52 | C51 | H29 | 178.8° | 180.0° |
| C52 | C53 | C54 | H32 | 179.4° | 180.0° |
| C5 | C4 | N3 | H1 | 118.1° | 119.6° |
| C5 | C4 | N3 | H2 | 118.1° | 119.6° |
| C4 | C5 | C6 | H3 | 119.9° | 119.9° |
| C4 | C5 | C6 | H4 | 120.0° | 119.9° |
| C5 | C4 | N3 | C2 | 93.9° | 123.2° |
| C5 | C4 | N3 | C17 | 81.4° | 56.7° |
| C4 | C5 | C6 | O33 | 157.2° | 151.5° |
| C4 | C5 | C6 | N7 | 22.1° | 28.5° |
| C5 | C4 | H1 | H2 | 125.2° | 120.8° |
| C4 | C5 | H3 | H4 | 120.2° | 120.2° |
| C4 | N3 | C2 | N34 | 2.4° | 174.8° |
| N3 | C4 | C5 | C6 | 59.4° | 50.8° |
| C4 | N3 | C2 | C17 | 174.9° | 179.9° |
| C4 | N3 | C17 | C18 | 60.6° | 88.8° |
| C4 | N3 | C2 | O1 | 178.0° | 5.5° |
| C4 | N3 | C17 | N7 | 54.9° | 31.1° |
| N3 | C4 | H1 | H2 | 125.2° | 120.8° |
| N3 | C4 | C5 | H3 | 179.4° | 170.7° |
| N3 | C4 | C5 | H4 | 60.5° | 69.0° |
| C4 | N3 | C17 | H12 | 177.0° | 151.8° |
| C35 | N34 | C2 | H33 | 180.0° | 179.9° |
| C35 | N34 | C2 | N3 | 170.5° | 175.4° |
| C35 | N34 | C2 | O1 | 9.1° | 4.9° |
| N34 | C35 | H22 | H23 | 119.3° | 120.0° |
| N34 | C35 | C36 | H24 | 45.7° | 59.9° |
| N34 | C35 | C36 | H34 | 162.6° | 60.0° |
| N34 | C2 | N3 | O1 | 179.6° | 179.7° |
| N34 | C2 | N3 | C17 | 172.5° | 5.3° |
| C2 | N34 | C35 | H22 | 137.8° | 60.0° |
| C2 | N34 | C35 | H23 | 18.2° | 60.0° |
| C29 | C30 | C21 | H21 | 180.0° | 179.4° |
| C29 | C30 | C21 | C20 | 179.5° | 179.7° |
| C29 | C30 | C21 | C22 | 1.8° | 0.6° |
| C30 | C29 | C28 | C51 | 179.8° | 179.7° |
| C30 | C29 | C28 | C27 | 0.4° | 0.3° |
| C30 | C29 | C54 | H32 | 0.3° | 0.3° |
| C21 | C30 | C29 | C28 | 0.6° | 0.6° |
| C30 | C21 | C20 | C22 | 178.7° | 179.8° |
| C30 | C21 | C20 | N19 | 106.0° | 4.7° |
| C30 | C21 | C22 | C27 | 2.1° | 0.3° |
| C30 | C21 | C22 | C23 | 179.2° | 179.7° |
| C30 | C21 | C20 | H15 | 133.5° | 124.7° |
| C30 | C21 | C20 | H16 | 14.5° | 115.4° |
| C5 | C6 | N7 | C17 | 6.2° | 3.2° |
| C5 | C6 | O33 | N7 | 179.3° | 180.0° |
| C5 | C6 | N7 | C8 | 172.0° | 176.6° |
| C6 | C5 | C4 | H1 | 177.6° | 170.4° |
| C6 | C5 | C4 | H2 | 58.7° | 68.8° |
| C6 | C5 | H3 | H4 | 120.1° | 120.3° |
| C29 | C28 | C51 | C52 | 0.7° | 0.0° |
| C29 | C28 | C51 | C27 | 179.8° | 180.0° |
| C29 | C28 | C27 | C22 | 0.1° | 0.0° |
| C29 | C28 | C27 | C26 | 179.5° | 180.0° |
| C28 | C29 | C30 | H21 | 179.5° | 180.0° |
| C29 | C28 | C51 | H29 | 179.3° | 180.0° |
| C28 | C29 | C54 | H32 | 179.7° | 180.0° |
| C2 | N3 | C17 | C18 | 123.9° | 91.2° |
| C2 | N3 | C17 | N7 | 120.7° | 148.8° |
| C2 | N3 | C4 | H1 | 24.2° | 3.6° |
| C2 | N3 | C4 | H2 | 148.0° | 117.2° |
| C2 | N3 | C17 | H12 | 1.5° | 28.1° |
| N3 | C2 | N34 | H33 | 9.5° | 4.7° |
| N3 | C17 | C18 | N7 | 116.2° | 121.8° |
| N3 | C17 | C18 | H12 | 123.1° | 119.1° |
| N3 | C17 | C18 | N19 | 165.8° | 168.7° |
| C17 | N3 | C2 | O1 | 7.1° | 174.5° |
| N3 | C17 | N7 | H12 | 122.2° | 120.3° |
| N3 | C17 | N7 | C6 | 7.7° | 2.3° |
| N3 | C17 | N7 | C8 | 173.9° | 177.4° |
| C17 | N3 | C4 | H1 | 160.4° | 176.3° |
| C17 | N3 | C4 | H2 | 36.7° | 62.9° |
| N3 | C17 | C18 | H13 | 74.1° | 70.9° |
| N3 | C17 | C18 | H14 | 45.7° | 48.4° |
| C17 | C18 | N19 | H13 | 120.1° | 120.3° |
| C17 | C18 | N19 | H14 | 120.1° | 120.3° |
| C17 | C18 | N19 | C20 | 156.6° | 158.4° |
| C18 | C17 | N7 | H12 | 119.9° | 119.0° |
| C18 | C17 | N7 | C6 | 110.2° | 118.3° |
| C17 | C18 | N19 | C31 | 26.4° | 21.5° |
| C18 | C17 | N7 | C8 | 68.1° | 61.9° |
| C17 | C18 | H13 | H14 | 119.8° | 119.4° |
| C18 | N19 | C20 | C21 | 61.1° | 94.3° |
| C18 | N19 | C20 | C31 | 177.1° | 180.0° |
| N19 | C18 | C17 | N7 | 49.6° | 46.9° |
| C18 | N19 | C31 | O32 | 165.4° | 175.8° |
| C18 | N19 | C31 | C8 | 13.6° | 4.2° |
| N19 | C18 | C17 | H12 | 71.0° | 72.2° |
| N19 | C18 | H13 | H14 | 119.8° | 119.4° |
| C18 | N19 | C20 | H15 | 178.4° | 25.7° |
| C18 | N19 | C20 | H16 | 59.4° | 145.7° |
| C52 | C51 | C28 | H29 | 180.0° | 180.0° |
| C52 | C51 | C28 | C27 | 179.4° | 180.0° |
| C51 | C52 | C53 | H31 | 178.9° | 180.0° |
| O1 | C2 | N34 | H33 | 170.9° | 175.0° |
| C21 | C20 | N19 | H15 | 120.5° | 119.9° |
| C21 | C20 | N19 | H16 | 120.5° | 120.0° |
| C21 | C20 | N19 | C31 | 121.8° | 85.8° |
| C20 | C21 | C22 | C27 | 179.1° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.1° |
| C21 | C20 | H15 | H16 | 118.5° | 120.0° |
| C20 | C21 | C30 | H21 | 0.5° | 0.2° |
| N19 | C20 | C21 | C22 | 75.3° | 175.1° |
| C20 | N19 | C31 | O32 | 11.5° | 4.2° |
| C20 | N19 | C31 | C8 | 169.5° | 175.8° |
| C20 | N19 | C18 | H13 | 36.5° | 38.1° |
| C20 | N19 | C18 | H14 | 83.3° | 81.2° |
| N19 | C20 | H15 | H16 | 118.5° | 120.1° |
| C21 | C22 | C27 | C28 | 1.2° | 0.0° |
| C21 | C22 | C27 | C23 | 178.6° | 180.0° |
| C21 | C22 | C27 | C26 | 179.3° | 180.0° |
| C21 | C22 | C23 | C24 | 179.1° | 180.0° |
| C22 | C21 | C20 | H15 | 45.2° | 55.1° |
| C22 | C21 | C20 | H16 | 164.2° | 64.9° |
| C21 | C22 | C23 | H17 | 0.8° | 0.0° |
| C22 | C21 | C30 | H21 | 178.2° | 180.0° |
| C17 | N7 | C6 | O33 | 174.6° | 176.8° |
| C17 | N7 | C6 | C8 | 178.2° | 179.8° |
| C17 | N7 | C8 | C31 | 53.8° | 43.2° |
| C17 | N7 | C8 | C9 | 63.3° | 76.6° |
| C17 | N7 | C8 | H5 | 175.6° | 163.2° |
| N7 | C17 | C18 | H13 | 169.7° | 167.2° |
| N7 | C17 | C18 | H14 | 70.5° | 73.4° |
| O33 | C6 | N7 | C8 | 7.2° | 3.4° |
| O33 | C6 | C5 | H3 | 37.3° | 31.6° |
| O33 | C6 | C5 | H4 | 82.8° | 88.7° |
| C6 | N7 | C8 | C31 | 124.5° | 137.1° |
| C6 | N7 | C8 | C9 | 118.4° | 103.2° |
| N7 | C6 | C5 | H3 | 142.0° | 148.4° |
| N7 | C6 | C5 | H4 | 97.9° | 91.3° |
| C6 | N7 | C8 | H5 | 2.7° | 17.1° |
| C6 | N7 | C17 | H12 | 129.9° | 122.6° |
| N19 | C31 | C8 | N7 | 24.4° | 12.9° |
| N19 | C31 | O32 | C8 | 179.0° | 180.0° |
| N19 | C31 | C8 | C9 | 93.4° | 106.8° |
| N19 | C31 | C8 | H5 | 146.6° | 132.9° |
| C31 | N19 | C18 | H13 | 146.5° | 141.9° |
| C31 | N19 | C18 | H14 | 93.7° | 98.8° |
| C31 | N19 | C20 | H15 | 1.3° | 154.3° |
| C31 | N19 | C20 | H16 | 117.7° | 34.2° |
| C51 | C28 | C27 | C22 | 179.9° | 180.0° |
| C51 | C28 | C27 | C26 | 0.4° | 0.0° |
| C28 | C51 | C52 | H30 | 178.8° | 180.0° |
| C28 | C27 | C22 | C26 | 179.5° | 180.0° |
| C28 | C27 | C22 | C23 | 179.8° | 180.0° |
| C28 | C27 | C26 | C25 | 180.0° | 180.0° |
| C28 | C27 | C26 | H20 | 0.0° | 0.0° |
| C27 | C28 | C51 | H29 | 0.6° | 0.0° |
| N7 | C8 | C31 | O32 | 154.6° | 167.1° |
| N7 | C8 | C31 | C9 | 117.9° | 119.7° |
| N7 | C8 | C31 | H5 | 122.2° | 120.0° |
| N7 | C8 | C9 | H5 | 121.8° | 120.3° |
| N7 | C8 | C9 | C10 | 52.8° | 55.7° |
| N7 | C8 | C9 | C46 | 176.9° | 175.7° |
| N7 | C8 | C9 | H6 | 66.7° | 64.3° |
| C8 | N7 | C17 | H12 | 51.7° | 57.1° |
| O32 | C31 | C8 | C9 | 87.6° | 73.1° |
| O32 | C31 | C8 | H5 | 32.4° | 47.2° |
| C31 | C8 | C9 | H5 | 120.2° | 120.4° |
| C31 | C8 | C9 | C10 | 170.8° | 175.0° |
| C31 | C8 | C9 | C46 | 65.1° | 65.0° |
| C31 | C8 | C9 | H6 | 51.3° | 55.0° |
| C27 | C22 | C23 | C24 | 0.5° | 0.0° |
| C22 | C27 | C26 | C25 | 0.4° | 0.0° |
| C27 | C22 | C23 | H17 | 179.5° | 180.0° |
| C22 | C27 | C26 | H20 | 179.6° | 180.0° |
| C23 | C22 | C27 | C26 | 0.6° | 0.0° |
| C22 | C23 | C24 | H17 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H18 | 179.9° | 180.0° |
| C27 | C26 | C25 | H20 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.1° |
| C27 | C26 | C25 | H19 | 179.9° | 179.9° |
| C8 | C9 | C10 | C46 | 125.7° | 120.0° |
| C8 | C9 | C10 | H6 | 119.4° | 120.0° |
| C8 | C9 | C46 | H6 | 116.3° | 120.0° |
| C8 | C9 | C10 | C11 | 172.1° | 175.0° |
| C8 | C9 | C10 | H7 | 67.9° | 65.0° |
| C8 | C9 | C10 | H8 | 52.2° | 55.0° |
| C8 | C9 | C46 | H26 | 180.0° | 54.8° |
| C8 | C9 | C46 | H27 | 60.0° | 174.9° |
| C8 | C9 | C46 | H28 | 60.0° | 65.1° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C23 | C24 | C25 | H18 | 180.0° | 179.9° |
| C23 | C24 | C25 | H19 | 179.9° | 179.9° |
| C26 | C25 | C24 | H19 | 180.0° | 180.0° |
| C26 | C25 | C24 | H18 | 179.9° | 180.0° |
| C10 | C9 | C46 | H6 | 114.9° | 120.0° |
| C9 | C10 | C11 | H7 | 119.9° | 119.9° |
| C9 | C10 | C11 | H8 | 119.9° | 120.0° |
| C10 | C9 | C8 | H5 | 69.0° | 64.6° |
| C9 | C10 | H7 | H8 | 120.2° | 120.0° |
| C9 | C10 | C11 | H9 | 180.0° | 60.0° |
| C9 | C10 | C11 | H10 | 60.0° | 180.0° |
| C9 | C10 | C11 | H11 | 60.0° | 60.0° |
| C10 | C9 | C46 | H26 | 51.2° | 65.2° |
| C10 | C9 | C46 | H27 | 171.2° | 54.9° |
| C10 | C9 | C46 | H28 | 68.8° | 174.9° |
| C46 | C9 | C10 | C11 | 62.2° | 65.0° |
| C46 | C9 | C8 | H5 | 55.1° | 55.4° |
| C46 | C9 | C10 | H7 | 57.7° | 55.0° |
| C46 | C9 | C10 | H8 | 177.9° | 175.0° |
| C9 | C46 | H26 | H27 | 120.0° | 120.1° |
| C9 | C46 | H26 | H28 | 120.0° | 119.9° |
| C9 | C46 | H27 | H28 | 120.0° | 120.0° |
| C11 | C10 | C9 | H6 | 52.7° | 55.0° |
| C11 | C10 | H7 | H8 | 120.2° | 120.1° |
| C10 | C11 | H9 | H10 | 120.0° | 120.0° |
| C10 | C11 | H9 | H11 | 120.0° | 120.0° |
| C10 | C11 | H10 | H11 | 120.0° | 120.0° |
| C25 | C24 | C23 | H17 | 179.8° | 180.0° |
| C24 | C25 | C26 | H20 | 179.9° | 179.9° |
| H1 | C4 | C5 | H3 | 62.5° | 69.7° |
| H1 | C4 | C5 | H4 | 57.6° | 50.5° |
| H2 | C4 | C5 | H3 | 61.2° | 51.1° |
| H2 | C4 | C5 | H4 | 178.7° | 171.4° |
| H5 | C8 | C9 | H6 | 171.5° | 175.4° |
| H6 | C9 | C10 | H7 | 172.7° | 175.0° |
| H6 | C9 | C10 | H8 | 67.2° | 65.0° |
| H6 | C9 | C46 | H26 | 63.7° | 174.8° |
| H6 | C9 | C46 | H27 | 56.3° | 65.1° |
| H6 | C9 | C46 | H28 | 176.3° | 54.9° |
| H7 | C10 | C11 | H9 | 60.1° | 59.9° |
| H7 | C10 | C11 | H10 | 179.9° | 60.0° |
| H7 | C10 | C11 | H11 | 59.9° | 180.0° |
| H8 | C10 | C11 | H9 | 60.1° | 180.0° |
| H8 | C10 | C11 | H10 | 60.0° | 60.0° |
| H8 | C10 | C11 | H11 | 179.9° | 60.0° |
| H9 | C11 | H10 | H11 | 120.0° | 120.0° |
| H12 | C17 | C18 | H13 | 49.1° | 48.1° |
| H12 | C17 | C18 | H14 | 168.9° | 167.5° |
| H17 | C23 | C24 | H18 | 0.2° | 0.0° |
| H18 | C24 | C25 | H19 | 0.1° | 0.0° |
| H19 | C25 | C26 | H20 | 0.1° | 0.1° |
| H22 | C35 | C36 | H24 | 74.6° | 60.1° |
| H22 | C35 | N34 | H33 | 42.2° | 120.1° |
| H22 | C35 | C36 | H34 | 42.3° | NaN° |
| H23 | C35 | C36 | H24 | 165.9° | 180.0° |
| H23 | C35 | N34 | H33 | 161.8° | 119.9° |
| H23 | C35 | C36 | H34 | 77.2° | 60.1° |
| H24 | C36 | C37 | H25 | 179.5° | NaN° |
| H24 | C36 | C37 | H35 | 63.3° | 60.0° |
| H25 | C37 | C36 | H34 | 62.6° | 60.0° |
| H26 | C46 | H27 | H28 | 120.0° | 120.0° |
| H29 | C51 | C52 | H30 | 1.2° | 0.0° |
| H30 | C52 | C53 | H31 | 1.1° | 0.1° |
| H31 | C53 | C54 | H32 | 0.7° | 0.1° |
| H34 | C36 | C37 | H35 | 179.8° | 180.0° |
