D4E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.36Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.36Å | 1.43Å | Aromatic |
| C23 | C22 | doub | 1.41Å | 1.43Å | Aromatic |
| O32 | C31 | doub | 1.21Å | 1.22Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C26 | C27 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C27 | sing | 1.42Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C46 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C31 | C8 | sing | 1.49Å | 1.51Å | |
| C31 | N19 | sing | 1.33Å | 1.37Å | |
| C20 | C51 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | N19 | sing | 1.46Å | 1.50Å | |
| C21 | C30 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | N7 | sing | 1.47Å | 1.48Å | |
| N19 | C18 | sing | 1.46Å | 1.51Å | |
| C28 | C29 | doub | 1.36Å | 1.36Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C17 | sing | 1.46Å | 1.49Å | |
| N7 | C6 | sing | 1.34Å | 1.37Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| O33 | C6 | doub | 1.21Å | 1.24Å | |
| C17 | N3 | sing | 1.46Å | 1.47Å | |
| C6 | C5 | sing | 1.50Å | 1.55Å | |
| O1 | C2 | doub | 1.22Å | 1.25Å | |
| N3 | C2 | sing | 1.35Å | 1.35Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C2 | N34 | sing | 1.35Å | 1.36Å | |
| F40 | C38 | sing | 1.40Å | 1.33Å | |
| N34 | C35 | sing | 1.46Å | 1.45Å | |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.48Å | |
| C38 | C37 | sing | 1.53Å | 1.49Å | |
| C38 | F41 | sing | 1.40Å | 1.33Å | |
| C38 | F42 | sing | 1.40Å | 1.30Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C37 | H6 | sing | 1.09Å | 1.10Å | |
| C37 | H7 | sing | 1.09Å | 1.10Å | |
| C36 | H8 | sing | 1.09Å | 1.10Å | |
| C36 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| C35 | H11 | sing | 1.09Å | 1.10Å | |
| N34 | H12 | sing | 0.97Å | 1.00Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C46 | H19 | sing | 1.09Å | 1.10Å | |
| C46 | H20 | sing | 1.09Å | 1.10Å | |
| C46 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C51 | H26 | sing | 1.09Å | 1.10Å | |
| C51 | H27 | sing | 1.09Å | 1.10Å | |
| C51 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C23 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 117.5° | 121.0° |
| C24 | C25 | C26 | 119.7° | 120.9° |
| C24 | C25 | H33 | 120.1° | 119.5° |
| C25 | C24 | H34 | 121.3° | 119.5° |
| C24 | C23 | C22 | 123.6° | 119.6° |
| C23 | C24 | H34 | 121.2° | 119.5° |
| C24 | C23 | H35 | 118.2° | 120.2° |
| C25 | C26 | C27 | 121.7° | 119.7° |
| C25 | C26 | H32 | 119.2° | 120.2° |
| C26 | C25 | H33 | 120.2° | 119.5° |
| C23 | C22 | C27 | 118.3° | 119.3° |
| C23 | C22 | C21 | 123.7° | 121.3° |
| C22 | C23 | H35 | 118.2° | 120.2° |
| O32 | C31 | C8 | 115.5° | 118.5° |
| O32 | C31 | N19 | 124.9° | 118.5° |
| C11 | C10 | C9 | 112.9° | 109.5° |
| C11 | C10 | H1 | 108.6° | 109.5° |
| C11 | C10 | H2 | 108.6° | 109.5° |
| C10 | C11 | H22 | 109.5° | 109.4° |
| C10 | C11 | H23 | 109.5° | 109.5° |
| C10 | C11 | H24 | 109.5° | 109.4° |
| C26 | C27 | C22 | 119.3° | 119.4° |
| C26 | C27 | C28 | 118.8° | 121.3° |
| C27 | C26 | H32 | 119.2° | 120.1° |
| C27 | C22 | C21 | 117.9° | 119.4° |
| C22 | C27 | C28 | 121.9° | 119.3° |
| C22 | C21 | C20 | 120.8° | 120.2° |
| C22 | C21 | C30 | 118.4° | 119.6° |
| C27 | C28 | C29 | 121.0° | 119.7° |
| C27 | C28 | H31 | 119.5° | 120.2° |
| C10 | C9 | C46 | 111.5° | 109.5° |
| C10 | C9 | C8 | 112.2° | 109.5° |
| C9 | C10 | H1 | 108.6° | 109.4° |
| C9 | C10 | H2 | 108.6° | 109.5° |
| C10 | C9 | H5 | 106.6° | 109.5° |
| C46 | C9 | C8 | 113.1° | 109.5° |
| C46 | C9 | H5 | 106.5° | 109.5° |
| C9 | C46 | H19 | 109.5° | 109.4° |
| C9 | C46 | H20 | 109.5° | 109.5° |
| C9 | C46 | H21 | 109.5° | 109.5° |
| C9 | C8 | C31 | 110.6° | 109.6° |
| C9 | C8 | N7 | 113.5° | 109.0° |
| C8 | C9 | H5 | 106.4° | 109.5° |
| C9 | C8 | H18 | 106.7° | 109.6° |
| C8 | C31 | N19 | 119.6° | 123.1° |
| C31 | C8 | N7 | 110.9° | 109.0° |
| C31 | C8 | H18 | 107.2° | 109.6° |
| C31 | N19 | C20 | 118.0° | 117.7° |
| C31 | N19 | C18 | 127.4° | 124.4° |
| C51 | C20 | C21 | 120.9° | 109.5° |
| C51 | C20 | N19 | 107.4° | 109.4° |
| C51 | C20 | H25 | 105.0° | 109.5° |
| C20 | C51 | H26 | 109.5° | 109.5° |
| C20 | C51 | H27 | 109.5° | 109.4° |
| C20 | C51 | H28 | 109.5° | 109.5° |
| C21 | C20 | N19 | 111.5° | 109.5° |
| C20 | C21 | C30 | 120.9° | 120.2° |
| C21 | C20 | H25 | 105.2° | 109.5° |
| C20 | N19 | C18 | 114.5° | 117.8° |
| N19 | C20 | H25 | 105.6° | 109.5° |
| C21 | C30 | C29 | 123.1° | 121.0° |
| C21 | C30 | H29 | 118.5° | 119.5° |
| C8 | N7 | C17 | 118.5° | 117.0° |
| C8 | N7 | C6 | 119.3° | 119.4° |
| N7 | C8 | H18 | 107.5° | 110.1° |
| N19 | C18 | C17 | 107.0° | 110.6° |
| N19 | C18 | H16 | 110.1° | 109.2° |
| N19 | C18 | H17 | 110.1° | 109.2° |
| C28 | C29 | C30 | 117.6° | 121.0° |
| C28 | C29 | H30 | 121.2° | 119.5° |
| C29 | C28 | H31 | 119.5° | 120.1° |
| C29 | C30 | H29 | 118.5° | 119.5° |
| C30 | C29 | H30 | 121.2° | 119.5° |
| C17 | N7 | C6 | 121.9° | 123.6° |
| N7 | C17 | C18 | 107.9° | 107.9° |
| N7 | C17 | N3 | 108.1° | 111.5° |
| N7 | C17 | H13 | 108.3° | 109.3° |
| N7 | C6 | O33 | 121.1° | 118.5° |
| N7 | C6 | C5 | 119.7° | 122.9° |
| C18 | C17 | N3 | 116.1° | 109.5° |
| C18 | C17 | H13 | 107.8° | 109.3° |
| C17 | C18 | H16 | 110.1° | 109.2° |
| C17 | C18 | H17 | 110.1° | 109.3° |
| O33 | C6 | C5 | 119.1° | 118.5° |
| C17 | N3 | C2 | 117.1° | 120.0° |
| C17 | N3 | C4 | 112.4° | 119.9° |
| N3 | C17 | H13 | 108.5° | 109.3° |
| C6 | C5 | C4 | 113.5° | 108.4° |
| C6 | C5 | H14 | 108.4° | 109.6° |
| C6 | C5 | H15 | 108.4° | 109.6° |
| O1 | C2 | N3 | 118.5° | 120.0° |
| O1 | C2 | N34 | 121.3° | 120.0° |
| C2 | N3 | C4 | 129.1° | 120.1° |
| N3 | C2 | N34 | 120.1° | 120.0° |
| N3 | C4 | C5 | 102.7° | 107.8° |
| N3 | C4 | H3 | 111.1° | 109.8° |
| N3 | C4 | H4 | 111.1° | 109.8° |
| C5 | C4 | H3 | 111.2° | 109.8° |
| C5 | C4 | H4 | 111.1° | 109.8° |
| C4 | C5 | H14 | 108.5° | 108.5° |
| C4 | C5 | H15 | 108.4° | 111.2° |
| C2 | N34 | C35 | 122.5° | 120.0° |
| C2 | N34 | H12 | 118.7° | 120.0° |
| F40 | C38 | C37 | 112.7° | 109.5° |
| F40 | C38 | F41 | 112.5° | 109.5° |
| F40 | C38 | F42 | 108.5° | 109.5° |
| N34 | C35 | C36 | 107.5° | 109.5° |
| N34 | C35 | H10 | 109.9° | 109.5° |
| N34 | C35 | H11 | 109.9° | 109.5° |
| C35 | N34 | H12 | 118.8° | 120.0° |
| C35 | C36 | C37 | 109.5° | 109.5° |
| C35 | C36 | H8 | 109.4° | 109.4° |
| C35 | C36 | H9 | 109.4° | 109.5° |
| C36 | C35 | H10 | 110.0° | 109.4° |
| C36 | C35 | H11 | 110.0° | 109.4° |
| C36 | C37 | C38 | 106.4° | 109.5° |
| C36 | C37 | H6 | 110.3° | 109.5° |
| C36 | C37 | H7 | 110.3° | 109.5° |
| C37 | C36 | H8 | 109.5° | 109.5° |
| C37 | C36 | H9 | 109.5° | 109.5° |
| C37 | C38 | F41 | 108.3° | 109.4° |
| C37 | C38 | F42 | 104.6° | 109.5° |
| C38 | C37 | H6 | 110.2° | 109.5° |
| C38 | C37 | H7 | 110.2° | 109.5° |
| F41 | C38 | F42 | 110.0° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C4 | H4 | 109.5° | 109.8° |
| H6 | C37 | H7 | 109.4° | 109.4° |
| H8 | C36 | H9 | 109.5° | 109.4° |
| H10 | C35 | H11 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.6° |
| H16 | C18 | H17 | 109.5° | 109.2° |
| H19 | C46 | H20 | 109.4° | 109.5° |
| H19 | C46 | H21 | 109.5° | 109.4° |
| H20 | C46 | H21 | 109.5° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H22 | C11 | H24 | 109.4° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H26 | C51 | H27 | 109.5° | 109.5° |
| H26 | C51 | H28 | 109.5° | 109.5° |
| H27 | C51 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H34 | 180.0° | 179.8° |
| C24 | C25 | C26 | H33 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.5° | 0.3° |
| C24 | C25 | C26 | C27 | 0.6° | 0.1° |
| C24 | C25 | C26 | H32 | 179.4° | 180.0° |
| C25 | C24 | C23 | H35 | 179.5° | 180.0° |
| C23 | C24 | C25 | C26 | 1.3° | 0.3° |
| C24 | C23 | C22 | H35 | 180.0° | 179.7° |
| C24 | C23 | C22 | C27 | 0.9° | 0.0° |
| C24 | C23 | C22 | C21 | 178.4° | 179.5° |
| C23 | C24 | C25 | H33 | 178.7° | 179.8° |
| C25 | C26 | C27 | H32 | 180.0° | 179.9° |
| C25 | C26 | C27 | C22 | 0.9° | 0.1° |
| C25 | C26 | C27 | C28 | 179.2° | 180.0° |
| C26 | C25 | C24 | H34 | 178.7° | 179.9° |
| C23 | C22 | C27 | C26 | 1.6° | 0.2° |
| C23 | C22 | C27 | C21 | 177.7° | 179.5° |
| C23 | C22 | C27 | C28 | 178.4° | NaN° |
| C23 | C22 | C21 | C20 | 2.0° | 0.3° |
| C23 | C22 | C21 | C30 | 177.5° | 179.9° |
| C22 | C23 | C24 | H34 | 179.5° | 179.9° |
| O32 | C31 | C8 | C9 | 59.9° | 73.7° |
| O32 | C31 | C8 | N19 | 177.8° | 179.4° |
| O32 | C31 | N19 | C20 | 0.9° | 4.2° |
| O32 | C31 | C8 | N7 | 173.2° | 167.1° |
| O32 | C31 | N19 | C18 | 176.6° | 175.8° |
| O32 | C31 | C8 | H18 | 56.1° | 46.5° |
| C11 | C10 | C9 | H1 | 120.5° | 120.0° |
| C11 | C10 | C9 | H2 | 120.5° | 120.0° |
| C11 | C10 | C9 | C46 | 95.0° | 65.0° |
| C11 | C10 | C9 | C8 | 137.0° | 175.0° |
| C11 | C10 | H1 | H2 | 118.4° | 120.0° |
| C11 | C10 | C9 | H5 | 20.9° | 55.0° |
| C10 | C11 | H22 | H23 | 120.0° | 120.0° |
| C10 | C11 | H22 | H24 | 120.0° | 119.9° |
| C10 | C11 | H23 | H24 | 120.0° | 119.9° |
| C26 | C27 | C22 | C28 | 180.0° | 179.8° |
| C26 | C27 | C22 | C21 | 179.3° | 179.7° |
| C26 | C27 | C28 | C29 | 178.3° | 180.0° |
| C26 | C27 | C28 | H31 | 1.7° | 0.0° |
| C27 | C26 | C25 | H33 | 179.4° | 180.0° |
| C27 | C22 | C21 | C20 | 179.5° | 179.8° |
| C27 | C22 | C21 | C30 | 0.0° | 0.6° |
| C22 | C27 | C28 | C29 | 1.8° | 0.2° |
| C22 | C27 | C28 | H31 | 178.3° | 179.8° |
| C22 | C27 | C26 | H32 | 179.1° | 179.7° |
| C27 | C22 | C23 | H35 | 179.1° | 179.7° |
| C21 | C22 | C27 | C28 | 0.8° | 0.5° |
| C22 | C21 | C20 | C51 | 150.2° | 85.6° |
| C22 | C21 | C20 | C30 | 179.5° | 179.6° |
| C22 | C21 | C20 | N19 | 82.2° | 154.4° |
| C22 | C21 | C30 | C29 | 0.2° | 0.4° |
| C22 | C21 | C20 | H25 | 31.7° | 34.4° |
| C22 | C21 | C30 | H29 | 179.8° | 179.7° |
| C21 | C22 | C23 | H35 | 1.6° | 0.2° |
| C27 | C28 | C29 | H31 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.9° | 0.0° |
| C27 | C28 | C29 | H30 | 178.1° | 180.0° |
| C28 | C27 | C26 | H32 | 0.9° | 0.1° |
| C10 | C9 | C46 | C8 | 127.6° | 120.0° |
| C10 | C9 | C46 | H5 | 115.9° | 120.0° |
| C10 | C9 | C8 | H5 | 116.2° | 120.0° |
| C10 | C9 | C8 | C31 | 60.1° | 177.7° |
| C10 | C9 | C8 | N7 | 65.3° | 63.2° |
| C9 | C10 | H1 | H2 | 118.4° | 119.9° |
| C10 | C9 | C8 | H18 | 176.4° | 57.4° |
| C10 | C9 | C46 | H19 | 180.0° | 62.7° |
| C10 | C9 | C46 | H20 | 60.0° | 177.3° |
| C10 | C9 | C46 | H21 | 60.0° | 57.2° |
| C9 | C10 | C11 | H22 | 180.0° | 60.0° |
| C9 | C10 | C11 | H23 | 60.0° | 60.0° |
| C9 | C10 | C11 | H24 | 60.0° | 180.0° |
| C46 | C9 | C8 | H5 | 116.6° | 120.0° |
| C46 | C9 | C8 | C31 | 172.7° | 57.7° |
| C46 | C9 | C8 | N7 | 61.9° | 176.8° |
| C46 | C9 | C10 | H1 | 144.5° | 55.0° |
| C46 | C9 | C10 | H2 | 25.5° | 175.0° |
| C46 | C9 | C8 | H18 | 56.4° | 62.6° |
| C9 | C46 | H19 | H20 | 120.0° | 120.0° |
| C9 | C46 | H19 | H21 | 120.0° | 119.9° |
| C9 | C46 | H20 | H21 | 120.0° | 120.0° |
| C9 | C8 | C31 | N7 | 126.9° | 119.2° |
| C9 | C8 | C31 | H18 | 116.0° | 120.3° |
| C9 | C8 | C31 | N19 | 122.2° | 106.9° |
| C9 | C8 | N7 | H18 | 117.8° | 120.2° |
| C9 | C8 | N7 | C17 | 88.4° | 76.3° |
| C9 | C8 | N7 | C6 | 97.3° | 103.5° |
| C8 | C9 | C10 | H1 | 16.4° | 64.9° |
| C8 | C9 | C10 | H2 | 102.5° | 55.0° |
| C8 | C9 | C46 | H19 | 52.4° | 177.3° |
| C8 | C9 | C46 | H20 | 67.5° | 57.3° |
| C8 | C9 | C46 | H21 | 172.4° | 62.7° |
| C8 | C31 | N19 | C20 | 176.7° | 176.4° |
| C31 | C8 | N7 | H18 | 116.9° | 120.2° |
| C8 | C31 | N19 | C18 | 1.0° | 3.6° |
| C31 | C8 | N7 | C17 | 36.9° | 43.2° |
| C31 | C8 | N7 | C6 | 137.4° | 137.0° |
| C31 | C8 | C9 | H5 | 56.1° | 62.3° |
| C31 | N19 | C20 | C51 | 97.2° | 173.8° |
| C31 | N19 | C20 | C21 | 128.1° | 66.3° |
| C31 | N19 | C20 | C18 | 176.3° | 180.0° |
| N19 | C31 | C8 | N7 | 4.7° | 12.3° |
| C31 | N19 | C18 | C17 | 25.4° | 21.6° |
| C31 | N19 | C18 | H16 | 94.2° | 141.9° |
| C31 | N19 | C18 | H17 | 145.1° | 98.7° |
| N19 | C31 | C8 | H18 | 121.8° | 132.9° |
| C31 | N19 | C20 | H25 | 14.4° | 53.7° |
| C51 | C20 | C21 | N19 | 127.6° | 120.0° |
| C51 | C20 | C21 | H25 | 118.4° | 120.0° |
| C51 | C20 | N19 | H25 | 111.6° | 120.0° |
| C51 | C20 | C21 | C30 | 29.3° | 94.0° |
| C51 | C20 | N19 | C18 | 79.0° | 6.2° |
| C20 | C51 | H26 | H27 | 120.0° | 120.0° |
| C20 | C51 | H26 | H28 | 120.0° | 120.0° |
| C20 | C51 | H27 | H28 | 120.0° | 119.9° |
| C21 | C20 | N19 | H25 | 113.7° | 120.0° |
| C21 | C20 | N19 | C18 | 55.6° | 113.7° |
| C20 | C21 | C30 | C29 | 179.3° | 180.0° |
| C21 | C20 | C51 | H26 | 180.0° | 60.0° |
| C21 | C20 | C51 | H27 | 60.0° | 180.0° |
| C21 | C20 | C51 | H28 | 60.0° | 60.1° |
| C20 | C21 | C30 | H29 | 0.7° | 0.1° |
| N19 | C20 | C21 | C30 | 98.3° | 25.9° |
| C20 | N19 | C18 | C17 | 158.7° | 158.4° |
| C20 | N19 | C18 | H16 | 81.7° | 38.1° |
| C20 | N19 | C18 | H17 | 39.1° | 81.3° |
| N19 | C20 | C51 | H26 | 50.6° | 60.0° |
| N19 | C20 | C51 | H27 | 170.5° | 60.0° |
| N19 | C20 | C51 | H28 | 69.4° | 179.9° |
| C21 | C30 | C29 | C28 | 1.1° | 0.1° |
| C21 | C30 | C29 | H29 | 180.0° | 179.9° |
| C30 | C21 | C20 | H25 | 147.7° | 146.0° |
| C21 | C30 | C29 | H30 | 178.9° | 179.9° |
| C8 | N7 | C17 | C6 | 174.2° | 179.8° |
| C8 | N7 | C17 | C18 | 62.9° | 62.3° |
| C8 | N7 | C6 | O33 | 14.4° | 3.1° |
| C8 | N7 | C17 | N3 | 170.9° | 177.5° |
| C8 | N7 | C6 | C5 | 164.0° | 175.2° |
| N7 | C8 | C9 | H5 | 178.5° | 56.9° |
| C8 | N7 | C17 | H13 | 53.5° | 56.5° |
| N19 | C18 | C17 | N7 | 51.1° | 47.3° |
| N19 | C18 | C17 | H16 | 119.6° | 120.2° |
| N19 | C18 | C17 | H17 | 119.6° | 120.3° |
| N19 | C18 | C17 | N3 | 172.5° | 168.7° |
| N19 | C18 | C17 | H13 | 65.6° | 71.5° |
| N19 | C18 | H16 | H17 | 121.1° | 119.4° |
| C18 | N19 | C20 | H25 | 169.4° | 126.2° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| C28 | C29 | C30 | H29 | 178.9° | 180.0° |
| C30 | C29 | C28 | H31 | 178.2° | 180.0° |
| N7 | C17 | C18 | N3 | 121.4° | 121.5° |
| N7 | C17 | C18 | H13 | 116.7° | 118.8° |
| C17 | N7 | C6 | O33 | 171.4° | 177.1° |
| N7 | C17 | N3 | H13 | 117.2° | 121.0° |
| C17 | N7 | C6 | C5 | 10.2° | 4.5° |
| N7 | C17 | N3 | C2 | 106.9° | 149.6° |
| N7 | C17 | N3 | C4 | 60.8° | 30.4° |
| N7 | C17 | C18 | H16 | 68.5° | 167.5° |
| N7 | C17 | C18 | H17 | 170.7° | 73.0° |
| C17 | N7 | C8 | H18 | 153.8° | 163.5° |
| C6 | N7 | C17 | C18 | 111.3° | 117.9° |
| N7 | C6 | O33 | C5 | 178.4° | 178.4° |
| C6 | N7 | C17 | N3 | 14.9° | 2.3° |
| N7 | C6 | C5 | C4 | 5.6° | 30.3° |
| C6 | N7 | C17 | H13 | 132.3° | 123.3° |
| N7 | C6 | C5 | H14 | 115.0° | 148.4° |
| N7 | C6 | C5 | H15 | 126.1° | 91.2° |
| C6 | N7 | C8 | H18 | 20.5° | 16.7° |
| C18 | C17 | N3 | H13 | 121.5° | 119.7° |
| C18 | C17 | N3 | C2 | 131.9° | 91.1° |
| C18 | C17 | N3 | C4 | 60.4° | 88.9° |
| C17 | C18 | H16 | H17 | 121.2° | 119.5° |
| O33 | C6 | C5 | C4 | 172.9° | 151.4° |
| O33 | C6 | C5 | H14 | 66.5° | 33.2° |
| O33 | C6 | C5 | H15 | 52.3° | 87.1° |
| C17 | N3 | C2 | O1 | 4.6° | 174.8° |
| C17 | N3 | C2 | C4 | 165.3° | 180.0° |
| C17 | N3 | C4 | C5 | 74.7° | 56.7° |
| C17 | N3 | C2 | N34 | 179.8° | 5.3° |
| C17 | N3 | C4 | H3 | 44.3° | 63.0° |
| C17 | N3 | C4 | H4 | 166.4° | 176.3° |
| N3 | C17 | C18 | H16 | 52.9° | 71.0° |
| N3 | C17 | C18 | H17 | 67.9° | 48.4° |
| C6 | C5 | C4 | N3 | 43.5° | 51.9° |
| C6 | C5 | C4 | H14 | 120.6° | 118.9° |
| C6 | C5 | C4 | H15 | 120.6° | 120.5° |
| C6 | C5 | C4 | H3 | 75.4° | 67.8° |
| C6 | C5 | C4 | H4 | 162.4° | 171.4° |
| C6 | C5 | H14 | H15 | 118.1° | 120.3° |
| O1 | C2 | N3 | N34 | 175.5° | 180.0° |
| O1 | C2 | N3 | C4 | 160.7° | 5.2° |
| O1 | C2 | N34 | C35 | 1.3° | 4.5° |
| O1 | C2 | N34 | H12 | 178.7° | 175.5° |
| C2 | N3 | C4 | C5 | 91.2° | 123.3° |
| N3 | C2 | N34 | C35 | 176.7° | 175.5° |
| C2 | N3 | C4 | H3 | 149.9° | 117.0° |
| C2 | N3 | C4 | H4 | 27.7° | 3.8° |
| N3 | C2 | N34 | H12 | 3.3° | 4.5° |
| C2 | N3 | C17 | H13 | 10.3° | 28.6° |
| N3 | C4 | C5 | H3 | 118.9° | 119.7° |
| N3 | C4 | C5 | H4 | 118.9° | 119.6° |
| C4 | N3 | C2 | N34 | 14.8° | 174.7° |
| N3 | C4 | H3 | H4 | 123.2° | 120.8° |
| C4 | N3 | C17 | H13 | 178.0° | 151.4° |
| N3 | C4 | C5 | H14 | 77.1° | 170.8° |
| N3 | C4 | C5 | H15 | 164.1° | 68.6° |
| C5 | C4 | H3 | H4 | 123.1° | 120.8° |
| C4 | C5 | H14 | H15 | 118.2° | 121.6° |
| C2 | N34 | C35 | H12 | 180.0° | 180.0° |
| C2 | N34 | C35 | C36 | 74.1° | 180.0° |
| C2 | N34 | C35 | H10 | 45.6° | 60.0° |
| C2 | N34 | C35 | H11 | 166.2° | 60.0° |
| F40 | C38 | C37 | C36 | 31.5° | 180.0° |
| F40 | C38 | C37 | F41 | 125.1° | 120.0° |
| F40 | C38 | C37 | F42 | 117.6° | 120.0° |
| F40 | C38 | F41 | F42 | 121.0° | 120.0° |
| F40 | C38 | C37 | H6 | 88.1° | 60.0° |
| F40 | C38 | C37 | H7 | 151.0° | 60.0° |
| N34 | C35 | C36 | H10 | 119.7° | 120.0° |
| N34 | C35 | C36 | H11 | 119.7° | 120.0° |
| N34 | C35 | C36 | C37 | 158.8° | 180.0° |
| N34 | C35 | C36 | H8 | 38.8° | 60.0° |
| N34 | C35 | C36 | H9 | 81.2° | 60.0° |
| N34 | C35 | H10 | H11 | 120.9° | 120.0° |
| C35 | C36 | C37 | H8 | 120.0° | 120.0° |
| C35 | C36 | C37 | H9 | 120.0° | 120.0° |
| C35 | C36 | C37 | C38 | 169.2° | 180.0° |
| C35 | C36 | C37 | H6 | 49.7° | 60.0° |
| C35 | C36 | C37 | H7 | 71.3° | 60.0° |
| C35 | C36 | H8 | H9 | 120.0° | 120.0° |
| C36 | C35 | H10 | H11 | 120.9° | 119.9° |
| C36 | C35 | N34 | H12 | 105.9° | 0.0° |
| C36 | C37 | C38 | H6 | 119.5° | 120.0° |
| C36 | C37 | C38 | H7 | 119.5° | 120.0° |
| C36 | C37 | C38 | F41 | 156.6° | 60.0° |
| C36 | C37 | C38 | F42 | 86.1° | 60.0° |
| C36 | C37 | H6 | H7 | 121.4° | 120.0° |
| C37 | C36 | H8 | H9 | 120.0° | 120.0° |
| C37 | C36 | C35 | H10 | 81.6° | 60.0° |
| C37 | C36 | C35 | H11 | 39.1° | 60.0° |
| C37 | C38 | F41 | F42 | 113.8° | 120.0° |
| C38 | C37 | H6 | H7 | 121.4° | 120.0° |
| C38 | C37 | C36 | H8 | 70.8° | 60.0° |
| C38 | C37 | C36 | H9 | 49.2° | 59.9° |
| F41 | C38 | C37 | H6 | 37.0° | 180.0° |
| F41 | C38 | C37 | H7 | 83.9° | 60.0° |
| F42 | C38 | C37 | H6 | 154.3° | 60.0° |
| F42 | C38 | C37 | H7 | 33.4° | 180.0° |
| H1 | C10 | C9 | H5 | 99.7° | 175.0° |
| H1 | C10 | C11 | H22 | 59.5° | 180.0° |
| H1 | C10 | C11 | H23 | 60.5° | 60.0° |
| H1 | C10 | C11 | H24 | 179.5° | 60.0° |
| H2 | C10 | C9 | H5 | 141.4° | 65.0° |
| H2 | C10 | C11 | H22 | 59.4° | 60.0° |
| H2 | C10 | C11 | H23 | 179.5° | 180.0° |
| H2 | C10 | C11 | H24 | 60.5° | 60.0° |
| H3 | C4 | C5 | H14 | 164.0° | 51.1° |
| H3 | C4 | C5 | H15 | 45.2° | 171.7° |
| H4 | C4 | C5 | H14 | 41.8° | 69.7° |
| H4 | C4 | C5 | H15 | 77.0° | 50.9° |
| H5 | C9 | C8 | H18 | 60.2° | 177.4° |
| H5 | C9 | C46 | H19 | 64.1° | 57.3° |
| H5 | C9 | C46 | H20 | 175.9° | 62.7° |
| H5 | C9 | C46 | H21 | 55.9° | 177.3° |
| H6 | C37 | C36 | H8 | 169.7° | 180.0° |
| H6 | C37 | C36 | H9 | 70.3° | 60.0° |
| H7 | C37 | C36 | H8 | 48.7° | 60.0° |
| H7 | C37 | C36 | H9 | 168.7° | 180.0° |
| H8 | C36 | C35 | H10 | 158.4° | NaN° |
| H8 | C36 | C35 | H11 | 80.9° | 60.0° |
| H9 | C36 | C35 | H10 | 38.4° | 60.0° |
| H9 | C36 | C35 | H11 | 159.1° | 180.0° |
| H10 | C35 | N34 | H12 | 134.5° | 120.0° |
| H11 | C35 | N34 | H12 | 13.9° | 120.0° |
| H13 | C17 | C18 | H16 | 174.8° | 48.7° |
| H13 | C17 | C18 | H17 | 54.0° | 168.2° |
| H19 | C46 | H20 | H21 | 120.0° | 120.0° |
| H22 | C11 | H23 | H24 | 120.0° | 120.1° |
| H25 | C20 | C51 | H26 | 61.5° | NaN° |
| H25 | C20 | C51 | H27 | 58.5° | 60.0° |
| H25 | C20 | C51 | H28 | 178.6° | 59.9° |
| H26 | C51 | H27 | H28 | 120.0° | 120.1° |
| H29 | C30 | C29 | H30 | 1.1° | 0.0° |
| H30 | C29 | C28 | H31 | 1.8° | 0.0° |
| H32 | C26 | C25 | H33 | 0.6° | 0.1° |
| H33 | C25 | C24 | H34 | 1.3° | 0.0° |
| H34 | C24 | C23 | H35 | 0.5° | 0.3° |
