6G8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N29 | C28 | sing | 1.49Å | 1.47Å | |
| N29 | C30 | sing | 1.48Å | 1.48Å | |
| C28 | C26 | sing | 1.51Å | 1.50Å | |
| C28 | C32 | sing | 1.55Å | 1.52Å | |
| C30 | C31 | sing | 1.54Å | 1.52Å | |
| O27 | C26 | doub | 1.21Å | 1.22Å | |
| C26 | N1 | sing | 1.35Å | 1.33Å | |
| C32 | C31 | sing | 1.55Å | 1.52Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| C31 | F33 | sing | 1.40Å | 1.37Å | |
| C2 | C6 | sing | 1.55Å | 1.52Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C6 | N5 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| N5 | C4 | sing | 1.47Å | 1.46Å | |
| N5 | C17 | sing | 1.35Å | 1.33Å | |
| C4 | C7 | sing | 1.53Å | 1.53Å | |
| C25 | C16 | sing | 1.51Å | 1.51Å | |
| O18 | C17 | doub | 1.21Å | 1.22Å | |
| C7 | N8 | sing | 1.47Å | 1.45Å | |
| C17 | C19 | sing | 1.51Å | 1.50Å | |
| O10 | C9 | doub | 1.22Å | 1.22Å | |
| N8 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | C11 | sing | 1.48Å | 1.51Å | |
| C16 | C11 | doub | 1.40Å | 1.49Å | Aromatic |
| C16 | C15 | sing | 1.37Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C34 | sing | 1.43Å | 1.29Å | |
| C34 | C35 | trip | 1.17Å | 1.19Å | |
| C35 | C36 | sing | 1.43Å | 1.29Å | |
| C37 | C36 | doub | 1.40Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C41 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | N43 | sing | 1.47Å | 1.47Å | |
| C45 | O46 | sing | 1.43Å | 1.43Å | |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C42 | sing | 1.51Å | 1.51Å | |
| O46 | C47 | sing | 1.43Å | 1.43Å | |
| C42 | N43 | sing | 1.47Å | 1.47Å | |
| N43 | C48 | sing | 1.47Å | 1.47Å | |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| N8 | H22 | sing | 0.97Å | 1.00Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| N29 | H28 | sing | 1.01Å | 1.00Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C40 | H32 | sing | 1.08Å | 1.08Å | |
| C41 | H33 | sing | 1.08Å | 1.08Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C45 | H40 | sing | 1.09Å | 1.10Å | |
| C47 | H41 | sing | 1.09Å | 1.10Å | |
| C47 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H43 | sing | 1.09Å | 1.10Å | |
| C48 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N29 | C30 | 106.8° | 105.8° |
| N29 | C28 | C26 | 111.0° | 110.7° |
| N29 | C28 | C32 | 104.9° | 103.2° |
| N29 | C28 | H27 | 111.1° | 110.8° |
| C28 | N29 | H28 | 110.2° | 111.0° |
| N29 | C30 | C31 | 107.3° | 107.1° |
| N29 | C30 | H14 | 110.0° | 109.9° |
| N29 | C30 | H15 | 110.0° | 110.1° |
| C30 | N29 | H28 | 110.2° | 111.0° |
| C26 | C28 | C32 | 108.6° | 110.7° |
| C28 | C26 | O27 | 121.0° | 120.0° |
| C28 | C26 | N1 | 115.5° | 120.0° |
| C26 | C28 | H27 | 110.6° | 110.6° |
| C28 | C32 | C31 | 103.9° | 102.9° |
| C28 | C32 | H17 | 110.8° | 110.8° |
| C28 | C32 | H18 | 110.8° | 110.9° |
| C32 | C28 | H27 | 110.4° | 110.7° |
| C30 | C31 | C32 | 105.5° | 105.2° |
| C30 | C31 | F33 | 110.9° | 110.3° |
| C31 | C30 | H14 | 110.0° | 109.9° |
| C31 | C30 | H15 | 110.0° | 109.9° |
| C30 | C31 | H16 | 109.7° | 110.3° |
| O27 | C26 | N1 | 123.5° | 120.0° |
| C26 | N1 | C2 | 123.5° | 120.0° |
| C26 | N1 | H19 | 118.2° | 120.0° |
| C32 | C31 | F33 | 108.7° | 110.3° |
| C32 | C31 | H16 | 109.8° | 110.4° |
| C31 | C32 | H17 | 110.9° | 110.7° |
| C31 | C32 | H18 | 110.8° | 110.7° |
| N1 | C2 | C6 | 109.4° | 111.0° |
| N1 | C2 | C3 | 112.1° | 111.0° |
| N1 | C2 | H1 | 110.5° | 111.0° |
| C2 | N1 | H19 | 118.2° | 120.0° |
| F33 | C31 | H16 | 112.1° | 110.2° |
| C6 | C2 | C3 | 105.7° | 101.5° |
| C2 | C6 | N5 | 105.8° | 104.8° |
| C6 | C2 | H1 | 109.5° | 111.0° |
| C2 | C6 | H5 | 110.4° | 110.4° |
| C2 | C6 | H6 | 110.4° | 110.4° |
| C2 | C3 | C4 | 106.2° | 102.9° |
| C3 | C2 | H1 | 109.5° | 111.0° |
| C2 | C3 | H2 | 110.3° | 110.7° |
| C2 | C3 | H3 | 110.3° | 110.7° |
| C6 | N5 | C4 | 112.2° | 108.7° |
| C6 | N5 | C17 | 124.9° | 125.7° |
| N5 | C6 | H5 | 110.4° | 110.4° |
| N5 | C6 | H6 | 110.4° | 110.4° |
| C3 | C4 | N5 | 104.3° | 107.3° |
| C3 | C4 | C7 | 109.3° | 109.9° |
| C4 | C3 | H2 | 110.3° | 110.8° |
| C4 | C3 | H3 | 110.3° | 110.7° |
| C3 | C4 | H4 | 110.4° | 109.9° |
| C4 | N5 | C17 | 122.9° | 125.6° |
| N5 | C4 | C7 | 111.2° | 109.9° |
| N5 | C4 | H4 | 111.2° | 110.1° |
| N5 | C17 | O18 | 122.3° | 120.0° |
| N5 | C17 | C19 | 118.4° | 120.0° |
| C4 | C7 | N8 | 109.3° | 109.5° |
| C7 | C4 | H4 | 110.3° | 109.8° |
| C4 | C7 | H20 | 109.5° | 109.5° |
| C4 | C7 | H21 | 109.5° | 109.5° |
| C25 | C16 | C11 | 120.4° | 120.0° |
| C25 | C16 | C15 | 120.0° | 120.0° |
| C16 | C25 | H11 | 109.5° | 109.5° |
| C16 | C25 | H12 | 109.5° | 109.4° |
| C16 | C25 | H13 | 109.5° | 109.5° |
| O18 | C17 | C19 | 119.3° | 120.0° |
| C7 | N8 | C9 | 123.5° | 120.0° |
| N8 | C7 | H20 | 109.5° | 109.5° |
| N8 | C7 | H21 | 109.5° | 109.4° |
| C7 | N8 | H22 | 118.2° | 120.0° |
| C17 | C19 | C20 | 116.2° | 117.5° |
| C17 | C19 | C21 | 115.7° | 117.5° |
| C17 | C19 | H8 | 117.7° | 115.6° |
| O10 | C9 | N8 | 121.6° | 120.0° |
| O10 | C9 | C11 | 119.5° | 120.0° |
| N8 | C9 | C11 | 118.9° | 120.0° |
| C9 | N8 | H22 | 118.2° | 120.0° |
| C9 | C11 | C16 | 121.6° | 120.0° |
| C9 | C11 | C12 | 120.8° | 120.0° |
| C11 | C16 | C15 | 119.6° | 120.0° |
| C16 | C11 | C12 | 117.7° | 120.0° |
| C16 | C15 | C14 | 120.5° | 120.0° |
| C16 | C15 | H24 | 119.8° | 120.0° |
| C20 | C19 | C21 | 60.0° | 60.0° |
| C19 | C20 | C21 | 60.0° | 60.0° |
| C20 | C19 | H8 | 117.2° | 117.5° |
| C19 | C20 | H25 | 120.0° | 117.5° |
| C19 | C20 | H26 | 120.0° | 117.6° |
| C19 | C21 | C20 | 60.0° | 60.0° |
| C21 | C19 | H8 | 117.3° | 117.5° |
| C19 | C21 | H9 | 120.0° | 117.5° |
| C19 | C21 | H10 | 120.0° | 117.5° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C11 | C12 | H23 | 119.8° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C15 | C14 | C34 | 120.7° | 120.0° |
| C14 | C15 | H24 | 119.8° | 120.0° |
| C20 | C21 | H9 | 120.0° | 117.5° |
| C20 | C21 | H10 | 120.0° | 117.5° |
| C21 | C20 | H25 | 120.0° | 117.5° |
| C21 | C20 | H26 | 120.0° | 117.5° |
| C12 | C13 | C14 | 121.8° | 120.0° |
| C12 | C13 | H7 | 119.1° | 120.1° |
| C13 | C12 | H23 | 119.7° | 120.0° |
| C13 | C14 | C34 | 119.3° | 120.0° |
| C14 | C13 | H7 | 119.1° | 120.0° |
| C14 | C34 | C35 | 172.3° | 180.0° |
| C34 | C35 | C36 | 172.0° | 179.9° |
| C35 | C36 | C37 | 117.9° | 120.2° |
| C35 | C36 | C41 | 123.0° | 120.2° |
| C36 | C37 | C38 | 120.5° | 119.8° |
| C37 | C36 | C41 | 119.2° | 119.7° |
| C36 | C37 | H30 | 119.8° | 120.1° |
| C37 | C38 | C39 | 120.5° | 120.2° |
| C38 | C37 | H30 | 119.7° | 120.0° |
| C37 | C38 | H31 | 119.7° | 119.9° |
| C36 | C41 | C40 | 120.4° | 119.8° |
| C36 | C41 | H33 | 119.8° | 120.1° |
| C38 | C39 | C40 | 119.3° | 120.3° |
| C38 | C39 | C42 | 118.0° | 119.8° |
| C39 | C38 | H31 | 119.8° | 119.9° |
| C41 | C40 | C39 | 120.2° | 120.2° |
| C41 | C40 | H32 | 119.9° | 119.9° |
| C40 | C41 | H33 | 119.8° | 120.1° |
| C45 | C44 | N43 | 110.3° | 109.3° |
| C44 | C45 | O46 | 110.0° | 109.3° |
| C45 | C44 | H37 | 109.3° | 109.5° |
| C45 | C44 | H38 | 109.3° | 109.5° |
| C44 | C45 | H39 | 109.4° | 109.5° |
| C44 | C45 | H40 | 109.3° | 109.5° |
| C44 | N43 | C42 | 110.9° | 111.0° |
| C44 | N43 | C48 | 109.9° | 110.8° |
| N43 | C44 | H37 | 109.3° | 109.5° |
| N43 | C44 | H38 | 109.3° | 109.5° |
| C45 | O46 | C47 | 111.1° | 113.7° |
| O46 | C45 | H39 | 109.3° | 109.6° |
| O46 | C45 | H40 | 109.4° | 109.5° |
| C40 | C39 | C42 | 122.7° | 119.8° |
| C39 | C40 | H32 | 119.9° | 119.9° |
| C39 | C42 | N43 | 115.5° | 109.5° |
| C39 | C42 | H34 | 108.0° | 109.4° |
| C39 | C42 | H35 | 108.0° | 109.5° |
| O46 | C47 | C48 | 109.6° | 109.3° |
| O46 | C47 | H41 | 109.4° | 109.5° |
| O46 | C47 | H42 | 109.4° | 109.5° |
| C42 | N43 | C48 | 106.3° | 111.0° |
| N43 | C42 | H34 | 107.9° | 109.5° |
| N43 | C42 | H35 | 107.9° | 109.5° |
| N43 | C48 | C47 | 111.8° | 109.2° |
| N43 | C48 | H43 | 108.9° | 109.5° |
| N43 | C48 | H44 | 108.9° | 109.5° |
| C48 | C47 | H41 | 109.4° | 109.5° |
| C48 | C47 | H42 | 109.4° | 109.5° |
| C47 | C48 | H43 | 108.9° | 109.5° |
| C47 | C48 | H44 | 108.9° | 109.5° |
| H2 | C3 | H3 | 109.5° | 110.8° |
| H5 | C6 | H6 | 109.4° | 110.4° |
| H9 | C21 | H10 | 109.5° | 115.6° |
| H11 | C25 | H12 | 109.5° | 109.5° |
| H11 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.4° | 109.9° |
| H17 | C32 | H18 | 109.5° | 110.6° |
| H20 | C7 | H21 | 109.5° | 109.4° |
| H25 | C20 | H26 | 109.4° | 115.5° |
| H34 | C42 | H35 | 109.5° | 109.5° |
| H37 | C44 | H38 | 109.4° | 109.5° |
| H39 | C45 | H40 | 109.4° | 109.5° |
| H41 | C47 | H42 | 109.5° | 109.4° |
| H43 | C48 | H44 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | N29 | C30 | H28 | 119.6° | 120.5° |
| N29 | C28 | C26 | C32 | 114.9° | 113.8° |
| N29 | C28 | C26 | H27 | 123.8° | 123.2° |
| N29 | C28 | C32 | H27 | 119.7° | 118.6° |
| C28 | N29 | C30 | C31 | 16.3° | 25.3° |
| N29 | C28 | C26 | O27 | 1.3° | 13.8° |
| N29 | C28 | C26 | N1 | 178.6° | 166.1° |
| N29 | C28 | C32 | C31 | 34.2° | 37.4° |
| C28 | N29 | C30 | H14 | 135.9° | 144.7° |
| C28 | N29 | C30 | H15 | 103.4° | 94.2° |
| N29 | C28 | C32 | H17 | 153.3° | 155.8° |
| N29 | C28 | C32 | H18 | 84.9° | 81.0° |
| C30 | N29 | C28 | C26 | 85.7° | 157.6° |
| C30 | N29 | C28 | C32 | 31.5° | 39.2° |
| N29 | C30 | C31 | H14 | 119.7° | 119.3° |
| N29 | C30 | C31 | H15 | 119.7° | 119.5° |
| N29 | C30 | C31 | C32 | 5.2° | 1.3° |
| N29 | C30 | C31 | F33 | 112.2° | 117.7° |
| N29 | C30 | H14 | H15 | 121.0° | 121.2° |
| N29 | C30 | C31 | H16 | 123.5° | 120.3° |
| C30 | N29 | C28 | H27 | 150.8° | 79.3° |
| C26 | C28 | C32 | H27 | 121.4° | 123.0° |
| C28 | C26 | O27 | N1 | 179.9° | 179.9° |
| C26 | C28 | C32 | C31 | 84.7° | 155.8° |
| C28 | C26 | N1 | C2 | 178.7° | 180.0° |
| C26 | C28 | C32 | H17 | 34.4° | 85.8° |
| C26 | C28 | C32 | H18 | 156.3° | 37.5° |
| C28 | C26 | N1 | H19 | 1.3° | 0.1° |
| C26 | C28 | N29 | H28 | 154.7° | 81.9° |
| C28 | C32 | C31 | C30 | 23.9° | 21.9° |
| C32 | C28 | C26 | O27 | 113.6° | 100.0° |
| C32 | C28 | C26 | N1 | 66.5° | 80.0° |
| C28 | C32 | C31 | H17 | 119.1° | 118.4° |
| C28 | C32 | C31 | H18 | 119.1° | 118.5° |
| C28 | C32 | C31 | F33 | 95.1° | 140.9° |
| C28 | C32 | C31 | H16 | 142.0° | 97.0° |
| C28 | C32 | H17 | H18 | 122.6° | 123.4° |
| C32 | C28 | N29 | H28 | 88.1° | 159.6° |
| C30 | C31 | C32 | F33 | 118.9° | 119.0° |
| C30 | C31 | C32 | H16 | 118.2° | 119.0° |
| C30 | C31 | F33 | H16 | 123.0° | 122.1° |
| C31 | C30 | H14 | H15 | 121.0° | 121.2° |
| C30 | C31 | C32 | H17 | 143.0° | 140.3° |
| C30 | C31 | C32 | H18 | 95.2° | 96.6° |
| C31 | C30 | N29 | H28 | 103.3° | 145.8° |
| O27 | C26 | N1 | C2 | 1.1° | 0.1° |
| O27 | C26 | N1 | H19 | 178.8° | 180.0° |
| O27 | C26 | C28 | H27 | 125.0° | 137.0° |
| C26 | N1 | C2 | H19 | 180.0° | 179.9° |
| C26 | N1 | C2 | C6 | 175.1° | 86.5° |
| C26 | N1 | C2 | C3 | 68.0° | 161.3° |
| C26 | N1 | C2 | H1 | 54.5° | 37.4° |
| N1 | C26 | C28 | H27 | 54.8° | 43.0° |
| C32 | C31 | F33 | H16 | 121.5° | 122.1° |
| C32 | C31 | C30 | H14 | 114.4° | 120.6° |
| C32 | C31 | C30 | H15 | 124.9° | 118.3° |
| C31 | C32 | H17 | H18 | 122.6° | 123.1° |
| C31 | C32 | C28 | H27 | 153.9° | 81.2° |
| N1 | C2 | C6 | C3 | 120.9° | 118.1° |
| N1 | C2 | C6 | H1 | 121.2° | 123.9° |
| N1 | C2 | C3 | H1 | 123.0° | 123.9° |
| N1 | C2 | C6 | N5 | 107.9° | 155.1° |
| N1 | C2 | C3 | C4 | 96.3° | 153.6° |
| N1 | C2 | C3 | H2 | 23.2° | 35.2° |
| N1 | C2 | C3 | H3 | 144.2° | 88.1° |
| N1 | C2 | C6 | H5 | 132.7° | 86.1° |
| N1 | C2 | C6 | H6 | 11.6° | 36.3° |
| F33 | C31 | C30 | H14 | 128.1° | 1.6° |
| F33 | C31 | C30 | H15 | 7.5° | 122.8° |
| F33 | C31 | C32 | H17 | 24.0° | 100.7° |
| F33 | C31 | C32 | H18 | 145.9° | 22.4° |
| C6 | C2 | C3 | H1 | 117.8° | 118.0° |
| C2 | C6 | N5 | H5 | 119.4° | 118.8° |
| C2 | C6 | N5 | H6 | 119.4° | 118.9° |
| C6 | C2 | C3 | C4 | 22.8° | 35.5° |
| C2 | C6 | N5 | C4 | 2.0° | 24.1° |
| C2 | C6 | N5 | C17 | 176.7° | 155.9° |
| C6 | C2 | C3 | H2 | 142.3° | 82.9° |
| C6 | C2 | C3 | H3 | 96.7° | 153.9° |
| C2 | C6 | H5 | H6 | 121.7° | 122.3° |
| C6 | C2 | N1 | H19 | 4.9° | 93.6° |
| C3 | C2 | C6 | N5 | 13.0° | 37.0° |
| C2 | C3 | C4 | H2 | 119.5° | 118.3° |
| C2 | C3 | C4 | H3 | 119.5° | 118.3° |
| C2 | C3 | C4 | N5 | 23.7° | 22.2° |
| C2 | C3 | C4 | C7 | 95.3° | 141.6° |
| C2 | C3 | H2 | H3 | 121.5° | 123.2° |
| C2 | C3 | C4 | H4 | 143.3° | 97.4° |
| C3 | C2 | C6 | H5 | 106.4° | 155.8° |
| C3 | C2 | C6 | H6 | 132.4° | 81.8° |
| C3 | C2 | N1 | H19 | 112.0° | 18.6° |
| C6 | N5 | C4 | C3 | 16.1° | 1.1° |
| C6 | N5 | C4 | C17 | 178.7° | 179.9° |
| C6 | N5 | C4 | C7 | 101.5° | 118.4° |
| C6 | N5 | C17 | O18 | 9.6° | 174.4° |
| C6 | N5 | C17 | C19 | 170.8° | 5.5° |
| N5 | C6 | C2 | H1 | 130.9° | 81.0° |
| C6 | N5 | C4 | H4 | 135.1° | 120.6° |
| N5 | C6 | H5 | H6 | 121.7° | 122.3° |
| C3 | C4 | N5 | C7 | 117.7° | 119.4° |
| C3 | C4 | N5 | H4 | 119.0° | 119.5° |
| C3 | C4 | N5 | C17 | 162.6° | 179.0° |
| C3 | C4 | C7 | H4 | 121.5° | 121.0° |
| C3 | C4 | C7 | N8 | 81.9° | 64.3° |
| C4 | C3 | C2 | H1 | 140.7° | 82.5° |
| C4 | C3 | H2 | H3 | 121.6° | 123.3° |
| C3 | C4 | C7 | H20 | 158.1° | 175.7° |
| C3 | C4 | C7 | H21 | 38.0° | 55.7° |
| N5 | C4 | C7 | H4 | 123.9° | 121.2° |
| C4 | N5 | C17 | O18 | 169.0° | 5.5° |
| N5 | C4 | C7 | N8 | 163.4° | 177.9° |
| C4 | N5 | C17 | C19 | 10.7° | 174.5° |
| N5 | C4 | C3 | H2 | 143.1° | 96.1° |
| N5 | C4 | C3 | H3 | 95.8° | 140.5° |
| C4 | N5 | C6 | H5 | 121.5° | 143.0° |
| C4 | N5 | C6 | H6 | 117.4° | 94.7° |
| N5 | C4 | C7 | H20 | 43.5° | 57.9° |
| N5 | C4 | C7 | H21 | 76.6° | 62.1° |
| C17 | N5 | C4 | C7 | 79.7° | 61.6° |
| N5 | C17 | O18 | C19 | 179.7° | 180.0° |
| N5 | C17 | C19 | C20 | 141.9° | 180.0° |
| N5 | C17 | C19 | C21 | 150.6° | 111.4° |
| C17 | N5 | C4 | H4 | 43.6° | 59.5° |
| C17 | N5 | C6 | H5 | 57.2° | 37.1° |
| C17 | N5 | C6 | H6 | 63.9° | 85.2° |
| N5 | C17 | C19 | H8 | 4.7° | 34.4° |
| C4 | C7 | N8 | H20 | 120.0° | 120.1° |
| C4 | C7 | N8 | H21 | 119.9° | 120.0° |
| C4 | C7 | N8 | C9 | 171.7° | 174.9° |
| C7 | C4 | C3 | H2 | 24.2° | 23.3° |
| C7 | C4 | C3 | H3 | 145.2° | 100.0° |
| C4 | C7 | H20 | H21 | 120.1° | 120.0° |
| C4 | C7 | N8 | H22 | 8.3° | 5.1° |
| C25 | C16 | C11 | C9 | 0.2° | 0.3° |
| C25 | C16 | C11 | C15 | 180.0° | 180.0° |
| C25 | C16 | C11 | C12 | 179.9° | 180.0° |
| C25 | C16 | C15 | C14 | 179.7° | 179.9° |
| C16 | C25 | H11 | H12 | 120.0° | 120.0° |
| C16 | C25 | H11 | H13 | 120.0° | 120.0° |
| C16 | C25 | H12 | H13 | 120.0° | 120.0° |
| C25 | C16 | C15 | H24 | 0.3° | 0.0° |
| O18 | C17 | C19 | C20 | 38.5° | 0.1° |
| O18 | C17 | C19 | C21 | 29.1° | 68.6° |
| O18 | C17 | C19 | H8 | 174.9° | 145.7° |
| C7 | N8 | C9 | O10 | 0.8° | 0.0° |
| C7 | N8 | C9 | H22 | 180.0° | 180.0° |
| C7 | N8 | C9 | C11 | 178.6° | 179.9° |
| N8 | C7 | C4 | H4 | 39.5° | 56.7° |
| N8 | C7 | H20 | H21 | 120.1° | 119.9° |
| C17 | C19 | C20 | C21 | 105.9° | 107.5° |
| C17 | C19 | C20 | H8 | 146.8° | 145.0° |
| C17 | C19 | C21 | H8 | 146.0° | 145.1° |
| C17 | C19 | C21 | H9 | 143.8° | 145.0° |
| C17 | C19 | C21 | H10 | 2.8° | 0.1° |
| C17 | C19 | C20 | H25 | 3.6° | 0.1° |
| C17 | C19 | C20 | H26 | 144.6° | 145.0° |
| O10 | C9 | N8 | C11 | 179.4° | 179.9° |
| O10 | C9 | C11 | C16 | 121.8° | 0.9° |
| O10 | C9 | C11 | C12 | 58.3° | 178.9° |
| O10 | C9 | N8 | H22 | 179.2° | 180.0° |
| N8 | C9 | C11 | C16 | 58.8° | 179.2° |
| N8 | C9 | C11 | C12 | 121.1° | 1.0° |
| C9 | N8 | C7 | H20 | 68.4° | 65.0° |
| C9 | N8 | C7 | H21 | 51.7° | 54.9° |
| C9 | C11 | C16 | C12 | 179.9° | 179.8° |
| C9 | C11 | C16 | C15 | 179.9° | 179.7° |
| C9 | C11 | C12 | C13 | 179.9° | 179.8° |
| C11 | C9 | N8 | H22 | 1.4° | 0.0° |
| C9 | C11 | C12 | H23 | 0.1° | 0.2° |
| C11 | C16 | C15 | C14 | 0.2° | 0.1° |
| C16 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C16 | C25 | H11 | 90.0° | 82.9° |
| C11 | C16 | C25 | H12 | 150.0° | 157.2° |
| C11 | C16 | C25 | H13 | 30.0° | 37.2° |
| C16 | C11 | C12 | H23 | 180.0° | 180.0° |
| C11 | C16 | C15 | H24 | 179.8° | 180.0° |
| C15 | C16 | C11 | C12 | 0.1° | 0.0° |
| C16 | C15 | C14 | H24 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | C34 | 179.4° | 180.0° |
| C15 | C16 | C25 | H11 | 90.0° | 97.2° |
| C15 | C16 | C25 | H12 | 30.0° | 22.8° |
| C15 | C16 | C25 | H13 | 150.0° | 142.8° |
| C20 | C19 | C21 | H8 | 107.3° | 107.4° |
| C19 | C20 | C21 | H25 | 109.5° | 107.5° |
| C19 | C20 | C21 | H26 | 109.5° | 107.6° |
| C20 | C19 | C21 | H9 | 109.5° | 107.5° |
| C20 | C19 | C21 | H10 | 109.5° | 107.6° |
| C19 | C20 | H25 | H26 | 144.7° | 145.8° |
| C19 | C21 | H9 | H10 | 144.7° | 145.6° |
| C11 | C12 | C13 | H23 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C11 | C12 | C13 | H7 | 179.8° | 179.9° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C15 | C14 | C13 | C34 | 179.0° | 180.0° |
| C15 | C14 | C34 | C35 | 78.6° | 72.3° |
| C15 | C14 | C13 | H7 | 179.6° | 179.9° |
| C20 | C21 | H9 | H10 | 144.8° | 145.8° |
| C21 | C20 | H25 | H26 | 144.8° | 145.6° |
| C12 | C13 | C14 | H7 | 180.0° | 179.9° |
| C12 | C13 | C14 | C34 | 179.5° | 179.9° |
| C13 | C14 | C34 | C35 | 100.4° | 107.7° |
| C14 | C13 | C12 | H23 | 179.8° | 180.0° |
| C13 | C14 | C15 | H24 | 179.6° | 180.0° |
| C14 | C34 | C35 | C36 | 30.9° | 159.8° |
| C34 | C14 | C13 | H7 | 0.6° | 0.0° |
| C34 | C14 | C15 | H24 | 0.6° | 0.0° |
| C34 | C35 | C36 | C37 | 74.9° | 92.8° |
| C34 | C35 | C36 | C41 | 104.1° | 87.6° |
| C35 | C36 | C37 | C41 | 179.0° | 179.6° |
| C35 | C36 | C37 | C38 | 179.4° | 180.0° |
| C35 | C36 | C41 | C40 | 179.3° | 179.7° |
| C35 | C36 | C37 | H30 | 0.6° | 0.1° |
| C35 | C36 | C41 | H33 | 0.7° | 0.1° |
| C36 | C37 | C38 | H30 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.0° | 0.0° |
| C37 | C36 | C41 | C40 | 0.3° | 0.7° |
| C36 | C37 | C38 | H31 | 179.9° | 180.0° |
| C37 | C36 | C41 | H33 | 179.6° | 179.7° |
| C38 | C37 | C36 | C41 | 0.4° | 0.4° |
| C37 | C38 | C39 | H31 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.5° | 0.0° |
| C37 | C38 | C39 | C42 | 179.6° | 180.0° |
| C36 | C41 | C40 | H33 | 180.0° | 179.6° |
| C36 | C41 | C40 | C39 | 0.2° | 0.7° |
| C41 | C36 | C37 | H30 | 179.6° | 179.8° |
| C36 | C41 | C40 | H32 | 179.8° | 179.6° |
| C38 | C39 | C40 | C41 | 0.6° | 0.4° |
| C38 | C39 | C40 | C42 | 179.0° | 180.0° |
| C38 | C39 | C42 | N43 | 130.9° | 90.0° |
| C39 | C38 | C37 | H30 | 180.0° | 179.9° |
| C38 | C39 | C40 | H32 | 179.4° | 180.0° |
| C38 | C39 | C42 | H34 | 10.0° | 150.0° |
| C38 | C39 | C42 | H35 | 108.2° | 30.0° |
| C41 | C40 | C39 | H32 | 180.0° | 179.7° |
| C41 | C40 | C39 | C42 | 179.6° | 179.7° |
| C45 | C44 | N43 | H37 | 120.1° | 120.0° |
| C45 | C44 | N43 | H38 | 120.2° | 119.9° |
| C44 | C45 | O46 | H39 | 120.1° | 119.9° |
| C44 | C45 | O46 | H40 | 120.1° | 120.0° |
| C44 | C45 | O46 | C47 | 61.5° | 58.7° |
| C45 | C44 | N43 | C42 | 171.9° | 177.6° |
| C45 | C44 | N43 | C48 | 54.6° | 58.6° |
| C45 | C44 | H37 | H38 | 119.6° | 120.1° |
| C44 | C45 | H39 | H40 | 119.7° | 120.1° |
| N43 | C44 | C45 | O46 | 58.5° | 56.8° |
| C44 | N43 | C42 | C39 | 53.4° | 66.3° |
| C44 | N43 | C42 | C48 | 119.5° | 123.7° |
| C44 | N43 | C48 | C47 | 54.0° | 58.6° |
| C44 | N43 | C42 | H34 | 67.5° | 53.6° |
| C44 | N43 | C42 | H35 | 174.3° | 173.7° |
| N43 | C44 | H37 | H38 | 119.6° | 120.1° |
| N43 | C44 | C45 | H39 | 61.6° | 63.1° |
| N43 | C44 | C45 | H40 | 178.6° | 176.8° |
| C44 | N43 | C48 | H43 | 66.3° | 61.3° |
| C44 | N43 | C48 | H44 | 174.3° | 178.5° |
| C45 | O46 | C47 | C48 | 59.8° | 58.7° |
| O46 | C45 | C44 | H37 | 61.6° | 176.8° |
| O46 | C45 | C44 | H38 | 178.7° | 63.1° |
| O46 | C45 | H39 | H40 | 119.8° | 120.1° |
| C45 | O46 | C47 | H41 | 60.2° | 61.3° |
| C45 | O46 | C47 | H42 | 179.9° | 178.7° |
| C40 | C39 | C42 | N43 | 50.1° | 90.0° |
| C40 | C39 | C38 | H31 | 179.5° | 180.0° |
| C39 | C40 | C41 | H33 | 179.9° | 179.7° |
| C40 | C39 | C42 | H34 | 171.0° | 30.0° |
| C40 | C39 | C42 | H35 | 70.8° | 149.9° |
| C39 | C42 | N43 | H34 | 120.9° | 120.0° |
| C39 | C42 | N43 | H35 | 120.9° | 120.0° |
| C39 | C42 | N43 | C48 | 172.8° | 170.0° |
| C42 | C39 | C38 | H31 | 0.4° | 0.0° |
| C42 | C39 | C40 | H32 | 0.4° | 0.0° |
| C39 | C42 | H34 | H35 | 117.3° | 120.0° |
| O46 | C47 | C48 | N43 | 56.2° | 56.8° |
| O46 | C47 | C48 | H41 | 120.0° | 120.0° |
| O46 | C47 | C48 | H42 | 120.0° | 120.0° |
| C47 | O46 | C45 | H39 | 58.6° | 61.3° |
| C47 | O46 | C45 | H40 | 178.4° | 178.6° |
| O46 | C47 | H41 | H42 | 119.9° | 120.0° |
| O46 | C47 | C48 | H43 | 64.2° | 63.1° |
| O46 | C47 | C48 | H44 | 176.6° | 176.8° |
| C42 | N43 | C48 | C47 | 174.1° | 177.6° |
| N43 | C42 | H34 | H35 | 117.2° | 120.0° |
| C42 | N43 | C44 | H37 | 51.8° | 57.6° |
| C42 | N43 | C44 | H38 | 68.0° | 62.5° |
| C42 | N43 | C48 | H43 | 53.8° | 62.5° |
| C42 | N43 | C48 | H44 | 65.5° | 57.7° |
| N43 | C48 | C47 | H43 | 120.4° | 119.9° |
| N43 | C48 | C47 | H44 | 120.4° | 119.9° |
| C48 | N43 | C42 | H34 | 51.9° | 70.0° |
| C48 | N43 | C42 | H35 | 66.3° | 50.0° |
| C48 | N43 | C44 | H37 | 65.5° | 178.6° |
| C48 | N43 | C44 | H38 | 174.7° | 61.3° |
| N43 | C48 | C47 | H41 | 63.8° | 63.2° |
| N43 | C48 | C47 | H42 | 176.2° | 176.8° |
| N43 | C48 | H43 | H44 | 119.0° | 120.1° |
| C48 | C47 | H41 | H42 | 119.9° | 120.1° |
| C47 | C48 | H43 | H44 | 118.9° | 120.1° |
| H1 | C2 | C3 | H2 | 99.9° | 159.1° |
| H1 | C2 | C3 | H3 | 21.2° | 35.9° |
| H1 | C2 | C6 | H5 | 11.5° | 37.8° |
| H1 | C2 | C6 | H6 | 109.7° | 160.2° |
| H1 | C2 | N1 | H19 | 125.5° | 142.5° |
| H2 | C3 | C4 | H4 | 97.3° | 144.2° |
| H3 | C3 | C4 | H4 | 23.8° | 20.9° |
| H4 | C4 | C7 | H20 | 80.4° | 63.3° |
| H4 | C4 | C7 | H21 | 159.5° | 176.7° |
| H7 | C13 | C12 | H23 | 0.2° | 0.1° |
| H8 | C19 | C21 | H9 | 2.2° | 0.1° |
| H8 | C19 | C21 | H10 | 143.2° | 145.0° |
| H8 | C19 | C20 | H25 | 143.2° | 145.0° |
| H8 | C19 | C20 | H26 | 2.2° | 0.0° |
| H9 | C21 | C20 | H25 | 141.0° | 145.0° |
| H9 | C21 | C20 | H26 | 0.0° | 0.1° |
| H10 | C21 | C20 | H25 | 0.0° | 0.1° |
| H10 | C21 | C20 | H26 | 141.1° | 145.0° |
| H11 | C25 | H12 | H13 | 120.0° | 120.1° |
| H14 | C30 | C31 | H16 | 3.8° | 120.4° |
| H14 | C30 | N29 | H28 | 16.3° | 94.8° |
| H15 | C30 | C31 | H16 | 116.9° | 0.7° |
| H15 | C30 | N29 | H28 | 137.0° | 26.4° |
| H16 | C31 | C32 | H17 | 98.9° | 21.4° |
| H16 | C31 | C32 | H18 | 22.9° | 144.5° |
| H17 | C32 | C28 | H27 | 87.0° | 37.2° |
| H18 | C32 | C28 | H27 | 34.8° | 160.4° |
| H20 | C7 | N8 | H22 | 111.7° | 114.9° |
| H21 | C7 | N8 | H22 | 128.3° | 125.1° |
| H27 | C28 | N29 | H28 | 31.2° | 41.2° |
| H30 | C37 | C38 | H31 | 0.0° | 0.1° |
| H32 | C40 | C41 | H33 | 0.1° | 0.0° |
| H37 | C44 | C45 | H39 | 178.3° | 56.8° |
| H37 | C44 | C45 | H40 | 58.5° | 63.3° |
| H38 | C44 | C45 | H39 | 58.6° | 176.9° |
| H38 | C44 | C45 | H40 | 61.2° | 56.9° |
| H41 | C47 | C48 | H43 | 175.8° | 176.9° |
| H41 | C47 | C48 | H44 | 56.5° | 56.8° |
| H42 | C47 | C48 | H43 | 55.8° | 56.9° |
| H42 | C47 | C48 | H44 | 63.4° | 63.3° |
