F3Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | O20 | sing | 1.44Å | 1.39Å | |
| C19 | O18 | sing | 1.44Å | 1.39Å | |
| O20 | C16 | sing | 1.37Å | 1.37Å | |
| O18 | C17 | sing | 1.36Å | 1.33Å | |
| C16 | C17 | doub | 1.40Å | 1.37Å | Aromatic |
| C16 | C34 | sing | 1.38Å | 1.36Å | Aromatic |
| C17 | C14 | sing | 1.38Å | 1.35Å | Aromatic |
| C34 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.36Å | Aromatic |
| O53 | C45 | sing | 1.36Å | 1.38Å | |
| C15 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C21 | sing | 1.47Å | 1.53Å | |
| C13 | C7 | sing | 1.48Å | 1.49Å | |
| C45 | C44 | doub | 1.39Å | 1.36Å | Aromatic |
| C45 | C46 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N6 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C44 | C43 | sing | 1.38Å | 1.35Å | Aromatic |
| C21 | O23 | doub | 1.22Å | 1.25Å | |
| C21 | N22 | sing | 1.35Å | 1.28Å | |
| C7 | N6 | sing | 1.37Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.34Å | Aromatic |
| C26 | N22 | sing | 1.47Å | 1.43Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| N6 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
| N22 | C24 | sing | 1.47Å | 1.46Å | |
| C46 | C47 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C27 | doub | 1.39Å | 1.36Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.46Å | Aromatic |
| C4 | C2 | sing | 1.53Å | 1.52Å | |
| C43 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | N35 | sing | 1.47Å | 1.47Å | |
| C5 | C9 | doub | 1.38Å | 1.32Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.52Å | |
| C47 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C24 | sing | 1.53Å | 1.53Å | |
| C33 | N35 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.54Å | 1.47Å | |
| O38 | C37 | sing | 1.43Å | 1.47Å | |
| O38 | C39 | sing | 1.43Å | 1.47Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | sing | 1.47Å | 1.48Å | |
| C41 | N12 | sing | 1.40Å | 1.44Å | |
| C40 | N35 | sing | 1.47Å | 1.49Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C28 | C25 | sing | 1.51Å | 1.48Å | |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N12 | sing | 1.35Å | 1.31Å | |
| C10 | O11 | doub | 1.22Å | 1.27Å | |
| N12 | C42 | sing | 1.40Å | 1.42Å | |
| C42 | C48 | doub | 1.39Å | 1.38Å | Aromatic |
| C42 | C52 | sing | 1.39Å | 1.43Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.41Å | Aromatic |
| C52 | C51 | doub | 1.38Å | 1.40Å | Aromatic |
| C49 | C50 | doub | 1.38Å | 1.41Å | Aromatic |
| C51 | C50 | sing | 1.38Å | 1.36Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.08Å | 1.08Å | |
| C44 | H34 | sing | 1.08Å | 1.08Å | |
| C46 | H35 | sing | 1.08Å | 1.08Å | |
| C47 | H36 | sing | 1.08Å | 1.08Å | |
| C48 | H37 | sing | 1.08Å | 1.08Å | |
| C49 | H38 | sing | 1.08Å | 1.08Å | |
| C50 | H39 | sing | 1.08Å | 1.08Å | |
| C51 | H40 | sing | 1.08Å | 1.08Å | |
| C52 | H41 | sing | 1.08Å | 1.08Å | |
| O53 | H42 | sing | 0.97Å | 0.95Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C19 | O18 | 110.4° | 103.8° |
| C19 | O20 | C16 | 104.8° | 105.5° |
| O20 | C19 | H11 | 109.2° | 110.5° |
| O20 | C19 | H24 | 109.2° | 110.6° |
| C19 | O18 | C17 | 105.2° | 105.5° |
| O18 | C19 | H11 | 109.3° | 110.6° |
| O18 | C19 | H24 | 109.3° | 110.5° |
| O20 | C16 | C17 | 108.6° | 108.5° |
| O20 | C16 | C34 | 131.4° | 131.3° |
| O18 | C17 | C16 | 110.7° | 108.6° |
| O18 | C17 | C14 | 130.6° | 131.2° |
| C17 | C16 | C34 | 120.0° | 120.3° |
| C16 | C17 | C14 | 118.7° | 120.2° |
| C16 | C34 | C15 | 120.4° | 120.1° |
| C16 | C34 | H23 | 119.8° | 119.9° |
| C17 | C14 | C13 | 123.6° | 120.1° |
| C17 | C14 | H10 | 118.2° | 120.0° |
| C34 | C15 | C13 | 119.7° | 119.7° |
| C34 | C15 | C21 | 121.2° | 120.2° |
| C15 | C34 | H23 | 119.8° | 120.0° |
| C14 | C13 | C15 | 117.6° | 119.6° |
| C14 | C13 | C7 | 121.1° | 120.2° |
| C13 | C14 | H10 | 118.2° | 119.9° |
| O53 | C45 | C44 | 125.9° | 120.0° |
| O53 | C45 | C46 | 114.0° | 120.0° |
| C45 | O53 | H42 | 109.5° | 114.0° |
| C13 | C15 | C21 | 119.0° | 120.1° |
| C15 | C13 | C7 | 121.3° | 120.2° |
| C15 | C21 | O23 | 113.3° | 120.0° |
| C15 | C21 | N22 | 121.6° | 120.0° |
| C13 | C7 | N6 | 121.8° | 125.8° |
| C13 | C7 | C8 | 128.6° | 125.7° |
| C44 | C45 | C46 | 120.1° | 120.0° |
| C45 | C44 | C43 | 125.5° | 120.0° |
| C45 | C44 | H34 | 117.2° | 120.0° |
| C45 | C46 | C47 | 114.6° | 120.0° |
| C45 | C46 | H35 | 122.7° | 120.0° |
| N6 | C3 | C4 | 110.5° | 108.8° |
| C3 | N6 | C7 | 125.7° | 126.6° |
| C3 | N6 | C5 | 127.7° | 124.3° |
| N6 | C3 | H5 | 109.2° | 109.6° |
| N6 | C3 | H6 | 109.2° | 109.6° |
| C3 | C4 | C2 | 111.4° | 109.5° |
| C4 | C3 | H5 | 109.2° | 109.5° |
| C4 | C3 | H6 | 109.2° | 109.6° |
| C3 | C4 | H7 | 109.0° | 109.4° |
| C3 | C4 | H8 | 109.0° | 109.4° |
| C44 | C43 | C41 | 117.6° | 120.0° |
| C44 | C43 | H33 | 121.2° | 120.0° |
| C43 | C44 | H34 | 117.2° | 120.0° |
| O23 | C21 | N22 | 125.0° | 120.0° |
| C21 | N22 | C26 | 124.4° | 121.3° |
| C21 | N22 | C24 | 115.6° | 121.4° |
| N6 | C7 | C8 | 109.6° | 108.5° |
| C7 | N6 | C5 | 106.5° | 109.1° |
| C7 | C8 | C9 | 106.8° | 107.1° |
| C7 | C8 | H9 | 126.6° | 126.4° |
| N22 | C26 | C27 | 115.1° | 109.6° |
| C26 | N22 | C24 | 119.2° | 117.3° |
| N22 | C26 | H15 | 108.0° | 109.4° |
| N22 | C26 | H16 | 108.0° | 109.5° |
| C26 | C27 | C32 | 119.2° | 117.8° |
| C26 | C27 | C28 | 119.5° | 122.2° |
| C27 | C26 | H15 | 108.0° | 109.4° |
| C27 | C26 | H16 | 108.1° | 109.5° |
| N6 | C5 | C9 | 111.9° | 108.5° |
| N6 | C5 | C1 | 120.2° | 124.5° |
| N22 | C24 | C33 | 104.0° | 109.8° |
| N22 | C24 | C25 | 105.8° | 107.9° |
| N22 | C24 | H12 | 112.6° | 109.8° |
| C46 | C47 | C41 | 124.5° | 120.0° |
| C47 | C46 | H35 | 122.7° | 120.0° |
| C46 | C47 | H36 | 117.7° | 120.0° |
| C27 | C32 | C31 | 123.4° | 120.0° |
| C32 | C27 | C28 | 121.2° | 120.0° |
| C27 | C32 | H20 | 118.3° | 119.7° |
| C32 | C31 | C30 | 115.7° | 120.0° |
| C32 | C31 | H19 | 122.2° | 119.8° |
| C31 | C32 | H20 | 118.3° | 120.2° |
| C8 | C9 | C5 | 105.2° | 106.9° |
| C8 | C9 | C10 | 127.4° | 126.6° |
| C9 | C8 | H9 | 126.6° | 126.5° |
| C4 | C2 | C1 | 116.1° | 109.1° |
| C4 | C2 | H3 | 107.8° | 109.5° |
| C4 | C2 | H4 | 107.8° | 109.7° |
| C2 | C4 | H7 | 109.0° | 109.5° |
| C2 | C4 | H8 | 109.0° | 109.5° |
| C43 | C41 | C47 | 117.6° | 119.9° |
| C43 | C41 | N12 | 120.1° | 120.1° |
| C41 | C43 | H33 | 121.2° | 120.0° |
| C27 | C28 | C25 | 119.1° | 122.9° |
| C27 | C28 | C29 | 116.3° | 119.5° |
| C31 | C30 | C29 | 122.1° | 119.8° |
| C31 | C30 | H18 | 118.9° | 120.1° |
| C30 | C31 | H19 | 122.1° | 120.2° |
| C37 | C36 | N35 | 110.4° | 109.2° |
| C36 | C37 | O38 | 108.0° | 109.3° |
| C37 | C36 | H25 | 109.2° | 109.5° |
| C37 | C36 | H26 | 109.2° | 109.6° |
| C36 | C37 | H27 | 109.9° | 109.5° |
| C36 | C37 | H28 | 109.8° | 109.5° |
| C36 | N35 | C33 | 109.8° | 111.0° |
| C36 | N35 | C40 | 115.0° | 110.7° |
| N35 | C36 | H25 | 109.2° | 109.5° |
| N35 | C36 | H26 | 109.2° | 109.5° |
| C9 | C5 | C1 | 127.9° | 127.1° |
| C5 | C9 | C10 | 127.3° | 126.5° |
| C5 | C1 | C2 | 112.5° | 108.2° |
| C5 | C1 | H1 | 108.7° | 109.8° |
| C5 | C1 | H2 | 108.7° | 109.7° |
| C47 | C41 | N12 | 122.3° | 120.0° |
| C41 | C47 | H36 | 117.7° | 120.0° |
| C24 | C33 | N35 | 109.8° | 109.5° |
| C33 | C24 | C25 | 111.0° | 109.8° |
| C33 | C24 | H12 | 111.6° | 109.8° |
| C24 | C33 | H21 | 109.4° | 109.5° |
| C24 | C33 | H22 | 109.4° | 109.5° |
| C33 | N35 | C40 | 109.7° | 111.0° |
| N35 | C33 | H21 | 109.4° | 109.5° |
| N35 | C33 | H22 | 109.4° | 109.4° |
| C2 | C1 | H1 | 108.7° | 109.7° |
| C2 | C1 | H2 | 108.7° | 109.7° |
| C1 | C2 | H3 | 107.8° | 109.5° |
| C1 | C2 | H4 | 107.8° | 109.5° |
| C37 | O38 | C39 | 114.5° | 113.8° |
| O38 | C37 | H27 | 109.8° | 109.5° |
| O38 | C37 | H28 | 109.9° | 109.5° |
| O38 | C39 | C40 | 108.3° | 109.2° |
| O38 | C39 | H29 | 109.8° | 109.5° |
| O38 | C39 | H30 | 109.7° | 109.5° |
| C24 | C25 | C28 | 116.3° | 110.9° |
| C25 | C24 | H12 | 111.4° | 109.7° |
| C24 | C25 | H13 | 107.7° | 109.2° |
| C24 | C25 | H14 | 107.7° | 109.2° |
| C9 | C10 | N12 | 123.4° | 120.0° |
| C9 | C10 | O11 | 116.6° | 120.1° |
| C41 | N12 | C10 | 123.2° | 120.0° |
| C41 | N12 | C42 | 116.5° | 120.0° |
| N35 | C40 | C39 | 109.3° | 109.3° |
| N35 | C40 | H31 | 109.5° | 109.5° |
| N35 | C40 | H32 | 109.5° | 109.6° |
| C40 | C39 | H29 | 109.8° | 109.5° |
| C40 | C39 | H30 | 109.8° | 109.5° |
| C39 | C40 | H31 | 109.5° | 109.5° |
| C39 | C40 | H32 | 109.5° | 109.5° |
| C25 | C28 | C29 | 124.4° | 117.6° |
| C28 | C25 | H13 | 107.7° | 109.2° |
| C28 | C25 | H14 | 107.7° | 109.2° |
| C28 | C29 | C30 | 121.1° | 120.6° |
| C28 | C29 | H17 | 119.5° | 119.7° |
| C30 | C29 | H17 | 119.4° | 119.7° |
| C29 | C30 | H18 | 118.9° | 120.1° |
| N12 | C10 | O11 | 120.0° | 120.0° |
| C10 | N12 | C42 | 120.3° | 120.0° |
| N12 | C42 | C48 | 121.2° | 120.0° |
| N12 | C42 | C52 | 119.8° | 120.1° |
| C48 | C42 | C52 | 119.0° | 119.8° |
| C42 | C48 | C49 | 120.7° | 119.9° |
| C42 | C48 | H37 | 119.6° | 120.0° |
| C42 | C52 | C51 | 119.2° | 120.0° |
| C42 | C52 | H41 | 120.4° | 120.0° |
| C48 | C49 | C50 | 119.8° | 120.1° |
| C49 | C48 | H37 | 119.7° | 120.1° |
| C48 | C49 | H38 | 120.1° | 119.9° |
| C52 | C51 | C50 | 121.8° | 120.1° |
| C52 | C51 | H40 | 119.1° | 119.9° |
| C51 | C52 | H41 | 120.4° | 120.1° |
| C49 | C50 | C51 | 119.5° | 120.1° |
| C50 | C49 | H38 | 120.1° | 119.9° |
| C49 | C50 | H39 | 120.2° | 119.9° |
| C51 | C50 | H39 | 120.3° | 119.9° |
| C50 | C51 | H40 | 119.1° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.7° |
| H3 | C2 | H4 | 109.5° | 109.6° |
| H5 | C3 | H6 | 109.5° | 109.7° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H11 | C19 | H24 | 109.5° | 110.7° |
| H13 | C25 | H14 | 109.5° | 109.2° |
| H15 | C26 | H16 | 109.5° | 109.4° |
| H21 | C33 | H22 | 109.4° | 109.5° |
| H25 | C36 | H26 | 109.4° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.6° |
| H29 | C39 | H30 | 109.5° | 109.5° |
| H31 | C40 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | O18 | H11 | 120.1° | 118.5° |
| O20 | C19 | O18 | H24 | 120.1° | 118.6° |
| O20 | C19 | O18 | C17 | 5.5° | 27.4° |
| C19 | O20 | C16 | C17 | 3.4° | 17.3° |
| C19 | O20 | C16 | C34 | 178.1° | 162.6° |
| O20 | C19 | H11 | H24 | 119.6° | 122.8° |
| O18 | C19 | O20 | C16 | 5.5° | 27.3° |
| C19 | O18 | C17 | C16 | 3.3° | 17.5° |
| C19 | O18 | C17 | C14 | 177.6° | 162.3° |
| O18 | C19 | H11 | H24 | 119.6° | 122.8° |
| O20 | C16 | C17 | O18 | 0.0° | 0.1° |
| O20 | C16 | C17 | C34 | 178.7° | 179.9° |
| O20 | C16 | C17 | C14 | 179.2° | 179.7° |
| O20 | C16 | C34 | C15 | 179.3° | 179.7° |
| C16 | O20 | C19 | H11 | 125.7° | 91.3° |
| O20 | C16 | C34 | H23 | 0.7° | 0.2° |
| C16 | O20 | C19 | H24 | 114.6° | 145.8° |
| O18 | C17 | C16 | C14 | 179.2° | 179.8° |
| O18 | C17 | C16 | C34 | 178.8° | 180.0° |
| O18 | C17 | C14 | C13 | 179.4° | 179.7° |
| O18 | C17 | C14 | H10 | 0.6° | 0.3° |
| C17 | O18 | C19 | H11 | 125.7° | 91.2° |
| C17 | O18 | C19 | H24 | 114.6° | 145.9° |
| C17 | C16 | C34 | C15 | 0.9° | 0.2° |
| C16 | C17 | C14 | C13 | 0.4° | 0.1° |
| C16 | C17 | C14 | H10 | 179.6° | 180.0° |
| C17 | C16 | C34 | H23 | 179.0° | 180.0° |
| C34 | C16 | C17 | C14 | 0.5° | 0.2° |
| C16 | C34 | C15 | H23 | 180.0° | 179.9° |
| C16 | C34 | C15 | C13 | 0.6° | 0.0° |
| C16 | C34 | C15 | C21 | 176.5° | 180.0° |
| C17 | C14 | C13 | H10 | 180.0° | 180.0° |
| C17 | C14 | C13 | C15 | 0.7° | 0.3° |
| C17 | C14 | C13 | C7 | 179.7° | 180.0° |
| C34 | C15 | C13 | C14 | 0.2° | 0.3° |
| C34 | C15 | C13 | C21 | 176.0° | 179.9° |
| C34 | C15 | C13 | C7 | 179.8° | 180.0° |
| C34 | C15 | C21 | O23 | 98.2° | 134.9° |
| C34 | C15 | C21 | N22 | 84.2° | 45.1° |
| C14 | C13 | C15 | C7 | 179.5° | 179.7° |
| C14 | C13 | C15 | C21 | 175.7° | 179.8° |
| C14 | C13 | C7 | N6 | 76.5° | 50.2° |
| C14 | C13 | C7 | C8 | 104.3° | 129.8° |
| O53 | C45 | C44 | C46 | 179.6° | 180.0° |
| O53 | C45 | C44 | C43 | 178.0° | 179.9° |
| O53 | C45 | C46 | C47 | 176.8° | 179.8° |
| O53 | C45 | C44 | H34 | 2.0° | 0.0° |
| O53 | C45 | C46 | H35 | 3.2° | 0.1° |
| C13 | C15 | C21 | O23 | 77.7° | 45.1° |
| C13 | C15 | C21 | N22 | 99.9° | 134.9° |
| C15 | C13 | C7 | N6 | 103.0° | 130.0° |
| C15 | C13 | C7 | C8 | 76.2° | 50.0° |
| C15 | C13 | C14 | H10 | 179.3° | 179.7° |
| C13 | C15 | C34 | H23 | 179.4° | 179.8° |
| C21 | C15 | C13 | C7 | 3.8° | 0.0° |
| C15 | C21 | O23 | N22 | 177.5° | 180.0° |
| C15 | C21 | N22 | C26 | 2.0° | 5.6° |
| C15 | C21 | N22 | C24 | 171.4° | 174.1° |
| C21 | C15 | C34 | H23 | 3.5° | 0.1° |
| C13 | C7 | N6 | C3 | 0.6° | 0.0° |
| C13 | C7 | N6 | C8 | 179.4° | 180.0° |
| C13 | C7 | N6 | C5 | 178.6° | 179.9° |
| C13 | C7 | C8 | C9 | 179.1° | 179.9° |
| C13 | C7 | C8 | H9 | 0.9° | 0.1° |
| C7 | C13 | C14 | H10 | 0.3° | 0.0° |
| C45 | C44 | C43 | H34 | 180.0° | 179.9° |
| C44 | C45 | C46 | C47 | 2.8° | 0.2° |
| C45 | C44 | C43 | C41 | 1.4° | 0.1° |
| C45 | C44 | C43 | H33 | 178.6° | 180.0° |
| C44 | C45 | C46 | H35 | 177.2° | 180.0° |
| C44 | C45 | O53 | H42 | 180.0° | 90.0° |
| C46 | C45 | C44 | C43 | 1.6° | 0.1° |
| C45 | C46 | C47 | H35 | 180.0° | 179.9° |
| C45 | C46 | C47 | C41 | 4.3° | 0.5° |
| C46 | C45 | C44 | H34 | 178.4° | 180.0° |
| C45 | C46 | C47 | H36 | 175.7° | 180.0° |
| C46 | C45 | O53 | H42 | 0.4° | 90.0° |
| N6 | C3 | C4 | H5 | 120.1° | 119.8° |
| N6 | C3 | C4 | H6 | 120.2° | 119.8° |
| C3 | N6 | C7 | C5 | 178.0° | 180.0° |
| C3 | N6 | C7 | C8 | 178.8° | 180.0° |
| N6 | C3 | C4 | C2 | 42.0° | 50.9° |
| C3 | N6 | C5 | C9 | 179.1° | 180.0° |
| C3 | N6 | C5 | C1 | 1.4° | 0.1° |
| N6 | C3 | H5 | H6 | 119.5° | 120.4° |
| N6 | C3 | C4 | H7 | 78.2° | 69.2° |
| N6 | C3 | C4 | H8 | 162.3° | 170.8° |
| C4 | C3 | N6 | C7 | 161.3° | 162.6° |
| C4 | C3 | N6 | C5 | 16.2° | 17.5° |
| C3 | C4 | C2 | H7 | 120.3° | 120.0° |
| C3 | C4 | C2 | H8 | 120.3° | 119.9° |
| C3 | C4 | C2 | C1 | 55.6° | 69.6° |
| C3 | C4 | C2 | H3 | 176.5° | 170.6° |
| C3 | C4 | C2 | H4 | 65.4° | 50.4° |
| C4 | C3 | H5 | H6 | 119.5° | 120.3° |
| C3 | C4 | H7 | H8 | 119.1° | 119.9° |
| C44 | C43 | C41 | H33 | 180.0° | 180.0° |
| C44 | C43 | C41 | C47 | 2.5° | 0.2° |
| C44 | C43 | C41 | N12 | 179.9° | 180.0° |
| O23 | C21 | N22 | C26 | 175.2° | 174.4° |
| O23 | C21 | N22 | C24 | 5.8° | 5.9° |
| C21 | N22 | C26 | C24 | 169.0° | 179.7° |
| C21 | N22 | C26 | C27 | 136.4° | 135.7° |
| C21 | N22 | C24 | C33 | 129.6° | 3.9° |
| C21 | N22 | C24 | C25 | 113.4° | 115.7° |
| C21 | N22 | C24 | H12 | 8.6° | 124.7° |
| C21 | N22 | C26 | H15 | 15.6° | 104.3° |
| C21 | N22 | C26 | H16 | 102.7° | 15.6° |
| N6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C7 | N6 | C5 | C9 | 1.1° | 0.0° |
| C7 | N6 | C5 | C1 | 179.4° | 179.9° |
| C7 | N6 | C3 | H5 | 41.2° | 42.8° |
| C7 | N6 | C3 | H6 | 78.5° | 77.6° |
| N6 | C7 | C8 | H9 | 179.8° | 179.9° |
| C8 | C7 | N6 | C5 | 0.8° | 0.1° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C7 | C8 | C9 | C5 | 0.4° | 0.0° |
| C7 | C8 | C9 | C10 | 178.7° | 180.0° |
| N22 | C26 | C27 | H15 | 120.8° | 120.0° |
| N22 | C26 | C27 | H16 | 120.8° | 120.1° |
| N22 | C26 | C27 | C32 | 177.4° | 168.9° |
| N22 | C26 | C27 | C28 | 1.7° | 11.2° |
| C26 | N22 | C24 | C33 | 60.4° | 175.8° |
| C26 | N22 | C24 | C25 | 56.6° | 64.6° |
| C26 | N22 | C24 | H12 | 178.5° | 55.0° |
| N22 | C26 | H15 | H16 | 117.4° | 119.9° |
| C27 | C26 | N22 | C24 | 32.6° | 44.6° |
| C26 | C27 | C32 | C28 | 175.7° | 180.0° |
| C26 | C27 | C32 | C31 | 179.6° | 179.7° |
| C26 | C27 | C28 | C25 | 5.7° | 0.7° |
| C26 | C27 | C28 | C29 | 178.6° | 179.4° |
| C27 | C26 | H15 | H16 | 117.4° | 119.9° |
| C26 | C27 | C32 | H20 | 0.4° | 0.3° |
| N6 | C5 | C9 | C8 | 1.0° | 0.0° |
| N6 | C5 | C9 | C1 | 179.5° | 179.9° |
| N6 | C5 | C1 | C2 | 8.5° | 15.7° |
| N6 | C5 | C9 | C10 | 179.2° | 180.0° |
| N6 | C5 | C1 | H1 | 128.9° | 135.4° |
| N6 | C5 | C1 | H2 | 111.9° | 103.9° |
| C5 | N6 | C3 | H5 | 136.4° | 137.2° |
| C5 | N6 | C3 | H6 | 103.9° | 102.3° |
| N22 | C24 | C33 | C25 | 113.4° | 118.5° |
| N22 | C24 | C33 | H12 | 121.7° | 120.8° |
| N22 | C24 | C33 | N35 | 127.4° | 60.8° |
| N22 | C24 | C25 | H12 | 122.7° | 119.6° |
| N22 | C24 | C25 | C28 | 49.9° | 47.4° |
| N22 | C24 | C25 | H13 | 170.9° | 73.0° |
| N22 | C24 | C25 | H14 | 71.1° | 167.8° |
| C24 | N22 | C26 | H15 | 153.4° | 75.4° |
| C24 | N22 | C26 | H16 | 88.2° | 164.7° |
| N22 | C24 | C33 | H21 | 112.5° | 179.2° |
| N22 | C24 | C33 | H22 | 7.4° | 59.2° |
| C46 | C47 | C41 | C43 | 4.2° | 0.5° |
| C46 | C47 | C41 | H36 | 180.0° | 179.5° |
| C46 | C47 | C41 | N12 | 178.2° | 179.8° |
| C27 | C32 | C31 | H20 | 180.0° | 180.0° |
| C27 | C32 | C31 | C30 | 3.9° | 0.2° |
| C32 | C27 | C28 | C25 | 178.6° | 179.4° |
| C32 | C27 | C28 | C29 | 3.0° | 0.5° |
| C32 | C27 | C26 | H15 | 56.6° | 71.1° |
| C32 | C27 | C26 | H16 | 61.7° | 48.8° |
| C27 | C32 | C31 | H19 | 176.1° | 179.9° |
| C31 | C32 | C27 | C28 | 3.9° | 0.2° |
| C32 | C31 | C30 | H19 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 3.3° | 0.3° |
| C32 | C31 | C30 | H18 | 176.7° | 179.7° |
| C8 | C9 | C5 | C10 | 178.3° | 180.0° |
| C8 | C9 | C5 | C1 | 179.6° | 179.9° |
| C8 | C9 | C10 | N12 | 26.8° | 34.6° |
| C8 | C9 | C10 | O11 | 152.5° | 145.4° |
| C4 | C2 | C1 | C5 | 37.0° | 48.6° |
| C4 | C2 | C1 | H3 | 120.9° | 119.8° |
| C4 | C2 | C1 | H4 | 121.0° | 120.0° |
| C4 | C2 | C1 | H1 | 157.5° | 168.3° |
| C4 | C2 | C1 | H2 | 83.4° | 71.1° |
| C4 | C2 | H3 | H4 | 117.0° | 120.3° |
| C2 | C4 | C3 | H5 | 162.2° | 170.6° |
| C2 | C4 | C3 | H6 | 78.1° | 69.0° |
| C2 | C4 | H7 | H8 | 119.1° | 120.0° |
| C43 | C41 | C47 | N12 | 177.5° | 179.7° |
| C43 | C41 | N12 | C10 | 52.6° | 7.3° |
| C43 | C41 | N12 | C42 | 124.8° | 172.7° |
| C41 | C43 | C44 | H34 | 178.6° | 180.0° |
| C43 | C41 | C47 | H36 | 175.8° | 180.0° |
| C27 | C28 | C25 | C24 | 21.6° | 19.5° |
| C27 | C28 | C25 | C29 | 175.3° | 179.9° |
| C27 | C28 | C29 | C30 | 2.5° | 0.4° |
| C27 | C28 | C25 | H13 | 142.6° | 100.8° |
| C27 | C28 | C25 | H14 | 99.4° | 139.9° |
| C28 | C27 | C26 | H15 | 119.1° | 108.8° |
| C28 | C27 | C26 | H16 | 122.5° | 131.3° |
| C27 | C28 | C29 | H17 | 177.5° | 179.6° |
| C28 | C27 | C32 | H20 | 176.1° | 179.8° |
| C31 | C30 | C29 | C28 | 2.8° | 0.0° |
| C31 | C30 | C29 | H18 | 180.0° | 180.0° |
| C31 | C30 | C29 | H17 | 177.2° | 180.0° |
| C30 | C31 | C32 | H20 | 176.1° | 179.8° |
| C37 | C36 | N35 | H25 | 120.2° | 120.0° |
| C37 | C36 | N35 | H26 | 120.2° | 120.0° |
| C37 | C36 | N35 | C33 | 178.9° | 177.6° |
| C36 | C37 | O38 | H27 | 119.8° | 119.9° |
| C36 | C37 | O38 | H28 | 119.8° | 119.9° |
| C36 | C37 | O38 | C39 | 60.0° | 58.7° |
| C37 | C36 | N35 | C40 | 54.6° | 58.6° |
| C37 | C36 | H25 | H26 | 119.6° | 120.2° |
| C36 | C37 | H27 | H28 | 120.7° | 120.1° |
| C36 | N35 | C33 | C24 | 47.4° | 168.6° |
| C36 | N35 | C33 | C40 | 127.4° | 123.6° |
| N35 | C36 | C37 | O38 | 53.9° | 56.8° |
| C36 | N35 | C40 | C39 | 54.3° | 58.6° |
| C36 | N35 | C33 | H21 | 167.4° | 71.3° |
| C36 | N35 | C33 | H22 | 72.7° | 48.6° |
| N35 | C36 | H25 | H26 | 119.6° | 120.0° |
| N35 | C36 | C37 | H27 | 173.6° | 176.8° |
| N35 | C36 | C37 | H28 | 65.9° | 63.1° |
| C36 | N35 | C40 | H31 | 174.3° | 178.6° |
| C36 | N35 | C40 | H32 | 65.7° | 61.3° |
| C9 | C5 | C1 | C2 | 170.9° | 164.2° |
| C5 | C9 | C10 | N12 | 155.3° | 145.4° |
| C5 | C9 | C10 | O11 | 25.4° | 34.6° |
| C9 | C5 | C1 | H1 | 50.5° | 44.5° |
| C9 | C5 | C1 | H2 | 68.6° | 76.1° |
| C5 | C9 | C8 | H9 | 179.6° | 180.0° |
| C5 | C1 | C2 | H1 | 120.4° | 119.7° |
| C5 | C1 | C2 | H2 | 120.5° | 119.7° |
| C1 | C5 | C9 | C10 | 1.3° | 0.1° |
| C5 | C1 | H1 | H2 | 118.6° | 120.7° |
| C5 | C1 | C2 | H3 | 158.0° | 168.4° |
| C5 | C1 | C2 | H4 | 83.9° | 71.5° |
| C47 | C41 | N12 | C10 | 124.9° | 173.0° |
| C47 | C41 | N12 | C42 | 57.8° | 7.0° |
| C47 | C41 | C43 | H33 | 177.4° | 179.7° |
| C41 | C47 | C46 | H35 | 175.7° | 179.6° |
| C24 | C33 | N35 | H21 | 120.1° | 120.0° |
| C24 | C33 | N35 | H22 | 120.1° | 120.0° |
| C33 | C24 | C25 | H12 | 125.0° | 120.8° |
| C24 | C33 | N35 | C40 | 174.7° | 67.8° |
| C33 | C24 | C25 | C28 | 62.3° | 167.0° |
| C33 | C24 | C25 | H13 | 58.6° | 46.7° |
| C33 | C24 | C25 | H14 | 176.7° | 72.6° |
| C24 | C33 | H21 | H22 | 119.9° | 120.0° |
| N35 | C33 | C24 | C25 | 119.2° | 179.3° |
| C33 | N35 | C40 | C39 | 178.7° | 177.6° |
| N35 | C33 | C24 | H12 | 5.7° | 60.0° |
| N35 | C33 | H21 | H22 | 119.8° | 119.9° |
| C33 | N35 | C36 | H25 | 60.9° | 62.4° |
| C33 | N35 | C36 | H26 | 58.7° | 57.7° |
| C33 | N35 | C40 | H31 | 61.3° | 57.7° |
| C33 | N35 | C40 | H32 | 58.7° | 62.4° |
| C2 | C1 | H1 | H2 | 118.6° | 120.6° |
| C1 | C2 | H3 | H4 | 117.0° | 120.1° |
| C1 | C2 | C4 | H7 | 64.7° | 50.4° |
| C1 | C2 | C4 | H8 | 175.8° | 170.5° |
| C37 | O38 | C39 | C40 | 60.5° | 58.6° |
| O38 | C37 | C36 | H25 | 174.0° | 63.1° |
| O38 | C37 | C36 | H26 | 66.3° | 176.8° |
| O38 | C37 | H27 | H28 | 120.7° | 120.2° |
| C37 | O38 | C39 | H29 | 179.7° | 178.6° |
| C37 | O38 | C39 | H30 | 59.3° | 61.3° |
| O38 | C39 | C40 | N35 | 54.0° | 56.8° |
| O38 | C39 | C40 | H29 | 119.8° | 120.0° |
| O38 | C39 | C40 | H30 | 119.8° | 119.9° |
| C39 | O38 | C37 | H27 | 179.7° | 178.6° |
| C39 | O38 | C37 | H28 | 59.8° | 61.3° |
| O38 | C39 | H29 | H30 | 120.5° | 120.1° |
| O38 | C39 | C40 | H31 | 174.0° | 176.8° |
| O38 | C39 | C40 | H32 | 66.0° | 63.1° |
| C24 | C25 | C28 | H13 | 121.0° | 120.3° |
| C24 | C25 | C28 | H14 | 121.0° | 120.4° |
| C24 | C25 | C28 | C29 | 153.7° | 160.6° |
| C24 | C25 | H13 | H14 | 116.9° | 119.3° |
| C25 | C24 | C33 | H21 | 0.8° | 60.7° |
| C25 | C24 | C33 | H22 | 120.7° | 59.3° |
| C9 | C10 | N12 | C41 | 14.4° | 174.1° |
| C9 | C10 | N12 | O11 | 179.2° | 180.0° |
| C9 | C10 | N12 | C42 | 168.4° | 5.9° |
| C10 | C9 | C8 | H9 | 1.3° | 0.0° |
| C41 | N12 | C10 | C42 | 177.3° | 180.0° |
| C41 | N12 | C10 | O11 | 166.4° | 5.9° |
| C41 | N12 | C42 | C48 | 54.3° | 116.6° |
| C41 | N12 | C42 | C52 | 126.1° | 63.2° |
| N12 | C41 | C43 | H33 | 0.2° | 0.0° |
| N12 | C41 | C47 | H36 | 1.8° | 0.2° |
| N35 | C40 | C39 | H31 | 120.0° | 119.9° |
| N35 | C40 | C39 | H32 | 120.0° | 120.0° |
| C40 | N35 | C33 | H21 | 65.2° | 52.3° |
| C40 | N35 | C33 | H22 | 54.7° | 172.2° |
| C40 | N35 | C36 | H25 | 174.7° | 61.3° |
| C40 | N35 | C36 | H26 | 65.6° | 178.6° |
| N35 | C40 | C39 | H29 | 173.8° | 176.8° |
| N35 | C40 | C39 | H30 | 65.8° | 63.1° |
| N35 | C40 | H31 | H32 | 120.0° | 120.2° |
| C40 | C39 | H29 | H30 | 120.6° | 120.1° |
| C39 | C40 | H31 | H32 | 120.1° | 120.0° |
| C25 | C28 | C29 | C30 | 177.8° | 179.5° |
| C28 | C25 | C24 | H12 | 172.6° | 72.2° |
| C28 | C25 | H13 | H14 | 116.9° | 119.3° |
| C25 | C28 | C29 | H17 | 2.2° | 0.5° |
| C28 | C29 | C30 | H17 | 180.0° | 180.0° |
| C29 | C28 | C25 | H13 | 32.7° | 79.1° |
| C29 | C28 | C25 | H14 | 85.4° | 40.2° |
| C28 | C29 | C30 | H18 | 177.2° | 179.9° |
| C29 | C30 | C31 | H19 | 176.7° | 179.8° |
| C10 | N12 | C42 | C48 | 123.1° | 63.4° |
| C10 | N12 | C42 | C52 | 56.4° | 116.8° |
| O11 | C10 | N12 | C42 | 10.8° | 174.1° |
| N12 | C42 | C48 | C52 | 179.6° | 179.7° |
| N12 | C42 | C48 | C49 | 178.7° | 180.0° |
| N12 | C42 | C52 | C51 | 179.3° | 179.8° |
| N12 | C42 | C48 | H37 | 1.3° | 0.1° |
| N12 | C42 | C52 | H41 | 0.7° | 0.1° |
| C42 | C48 | C49 | H37 | 180.0° | 179.9° |
| C48 | C42 | C52 | C51 | 0.3° | 0.5° |
| C42 | C48 | C49 | C50 | 1.8° | 0.0° |
| C42 | C48 | C49 | H38 | 178.2° | 179.9° |
| C48 | C42 | C52 | H41 | 179.7° | 179.7° |
| C52 | C42 | C48 | C49 | 1.8° | 0.3° |
| C42 | C52 | C51 | H41 | 180.0° | 179.8° |
| C42 | C52 | C51 | C50 | 2.5° | 0.5° |
| C52 | C42 | C48 | H37 | 178.2° | 179.8° |
| C42 | C52 | C51 | H40 | 177.6° | 179.7° |
| C48 | C49 | C50 | H38 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 0.3° | 0.1° |
| C48 | C49 | C50 | H39 | 179.7° | 180.0° |
| C52 | C51 | C50 | C49 | 2.4° | 0.3° |
| C52 | C51 | C50 | H40 | 180.0° | 179.8° |
| C52 | C51 | C50 | H39 | 177.6° | 179.7° |
| C49 | C50 | C51 | H39 | 180.0° | 180.0° |
| C50 | C49 | C48 | H37 | 178.2° | 179.9° |
| C49 | C50 | C51 | H40 | 177.6° | 179.9° |
| C51 | C50 | C49 | H38 | 179.8° | 179.9° |
| C50 | C51 | C52 | H41 | 177.6° | 179.6° |
| H1 | C1 | C2 | H3 | 81.6° | 71.9° |
| H1 | C1 | C2 | H4 | 36.5° | 48.2° |
| H2 | C1 | C2 | H3 | 37.5° | 48.7° |
| H2 | C1 | C2 | H4 | 155.6° | 168.8° |
| H3 | C2 | C4 | H7 | 56.2° | 69.4° |
| H3 | C2 | C4 | H8 | 63.2° | 50.7° |
| H4 | C2 | C4 | H7 | 174.3° | 170.4° |
| H4 | C2 | C4 | H8 | 54.9° | 69.6° |
| H5 | C3 | C4 | H7 | 41.9° | 50.6° |
| H5 | C3 | C4 | H8 | 77.5° | 69.4° |
| H6 | C3 | C4 | H7 | 161.6° | 171.0° |
| H6 | C3 | C4 | H8 | 42.2° | 51.0° |
| H12 | C24 | C25 | H13 | 66.4° | 167.4° |
| H12 | C24 | C25 | H14 | 51.6° | 48.2° |
| H12 | C24 | C33 | H21 | 125.8° | 60.0° |
| H12 | C24 | C33 | H22 | 114.3° | 180.0° |
| H17 | C29 | C30 | H18 | 2.8° | 0.0° |
| H18 | C30 | C31 | H19 | 3.3° | 0.2° |
| H19 | C31 | C32 | H20 | 3.9° | 0.1° |
| H25 | C36 | C37 | H27 | 66.3° | 56.9° |
| H25 | C36 | C37 | H28 | 54.2° | 177.0° |
| H26 | C36 | C37 | H27 | 53.4° | 63.3° |
| H26 | C36 | C37 | H28 | 173.9° | 56.8° |
| H29 | C39 | C40 | H31 | 66.2° | 63.2° |
| H29 | C39 | C40 | H32 | 53.8° | 56.8° |
| H30 | C39 | C40 | H31 | 54.2° | 56.9° |
| H30 | C39 | C40 | H32 | 174.2° | 176.9° |
| H33 | C43 | C44 | H34 | 1.4° | 0.1° |
| H35 | C46 | C47 | H36 | 4.3° | 0.1° |
| H37 | C48 | C49 | H38 | 1.9° | 0.0° |
| H38 | C49 | C50 | H39 | 0.2° | 0.0° |
| H39 | C50 | C51 | H40 | 2.4° | 0.0° |
| H40 | C51 | C52 | H41 | 2.4° | 0.1° |
