QXH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C7 | doub | 1.21Å | 1.22Å | |
| C7 | C1 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C4 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.51Å | 1.53Å | |
| O10 | C6 | doub | 1.21Å | 1.22Å | |
| C6 | N9 | sing | 1.35Å | 1.36Å | |
| C18 | N19 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C22 | N19 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| N9 | C8 | sing | 1.40Å | 1.38Å | |
| C20 | N19 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C17 | N16 | sing | 1.47Å | 1.49Å | |
| C28 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| N16 | C21 | sing | 1.47Å | 1.48Å | |
| N16 | C14 | sing | 1.47Å | 1.48Å | |
| C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | BR1 | sing | 1.89Å | 1.90Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | N34 | sing | 1.47Å | 1.48Å | |
| C35 | N34 | sing | 1.47Å | 1.48Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| N34 | C39 | sing | 1.47Å | 1.48Å | |
| C36 | N37 | sing | 1.47Å | 1.47Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| N37 | C38 | sing | 1.47Å | 1.48Å | |
| N37 | C40 | sing | 1.47Å | 1.48Å | |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C46 | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | BR2 | sing | 1.89Å | 1.89Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.08Å | 1.08Å | |
| N9 | H27 | sing | 0.97Å | 1.00Å | |
| C9 | H28 | sing | 1.08Å | 1.08Å | |
| C11 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C40 | H46 | sing | 1.09Å | 1.10Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.08Å | 1.08Å | |
| C43 | H49 | sing | 1.08Å | 1.08Å | |
| C45 | H50 | sing | 1.08Å | 1.08Å | |
| C46 | H51 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C7 | C1 | 123.6° | 120.0° |
| O8 | C7 | H26 | 118.2° | 120.0° |
| C7 | C1 | C2 | 111.6° | 109.4° |
| C7 | C1 | C4 | 108.7° | 109.5° |
| C7 | C1 | C6 | 108.8° | 109.4° |
| C1 | C7 | H26 | 118.2° | 120.0° |
| C5 | C4 | C1 | 118.2° | 109.5° |
| C5 | C4 | H21 | 107.3° | 109.5° |
| C5 | C4 | H22 | 107.2° | 109.4° |
| C4 | C5 | H23 | 109.5° | 109.5° |
| C4 | C5 | H24 | 109.5° | 109.4° |
| C4 | C5 | H25 | 109.5° | 109.4° |
| C3 | C2 | C1 | 117.3° | 109.4° |
| C3 | C2 | H16 | 107.5° | 109.4° |
| C3 | C2 | H17 | 107.5° | 109.4° |
| C2 | C3 | H18 | 109.5° | 109.5° |
| C2 | C3 | H19 | 109.5° | 109.5° |
| C2 | C3 | H20 | 109.5° | 109.5° |
| C2 | C1 | C4 | 111.7° | 109.5° |
| C2 | C1 | C6 | 102.0° | 109.5° |
| C1 | C2 | H16 | 107.5° | 109.5° |
| C1 | C2 | H17 | 107.5° | 109.5° |
| C4 | C1 | C6 | 113.9° | 109.5° |
| C1 | C4 | H21 | 107.2° | 109.5° |
| C1 | C4 | H22 | 107.3° | 109.5° |
| C1 | C6 | O10 | 115.9° | 120.0° |
| C1 | C6 | N9 | 121.0° | 120.1° |
| O10 | C6 | N9 | 123.0° | 119.9° |
| C6 | N9 | C8 | 128.1° | 120.0° |
| C6 | N9 | H27 | 115.9° | 119.9° |
| N19 | C18 | C17 | 109.0° | 109.3° |
| C18 | N19 | C22 | 113.2° | 111.0° |
| C18 | N19 | C20 | 108.5° | 110.9° |
| N19 | C18 | H7 | 109.6° | 109.5° |
| N19 | C18 | H8 | 109.6° | 109.5° |
| C18 | C17 | N16 | 113.5° | 109.4° |
| C18 | C17 | H5 | 108.5° | 109.5° |
| C18 | C17 | H6 | 108.4° | 109.5° |
| C17 | C18 | H7 | 109.6° | 109.5° |
| C17 | C18 | H8 | 109.6° | 109.5° |
| N19 | C22 | C23 | 110.1° | 109.5° |
| C22 | N19 | C20 | 111.6° | 111.0° |
| N19 | C22 | H14 | 109.3° | 109.5° |
| N19 | C22 | H15 | 109.3° | 109.5° |
| C22 | C23 | C28 | 121.0° | 120.0° |
| C22 | C23 | C24 | 119.5° | 120.0° |
| C23 | C22 | H14 | 109.3° | 109.4° |
| C23 | C22 | H15 | 109.3° | 109.5° |
| N9 | C8 | C9 | 126.9° | 120.0° |
| N9 | C8 | C13 | 115.5° | 120.0° |
| C8 | N9 | H27 | 116.0° | 120.0° |
| N19 | C20 | C21 | 106.5° | 109.3° |
| N19 | C20 | H10 | 110.2° | 109.4° |
| N19 | C20 | H11 | 110.2° | 109.5° |
| C20 | C21 | N16 | 110.0° | 109.4° |
| C21 | C20 | H10 | 110.2° | 109.5° |
| C21 | C20 | H11 | 110.2° | 109.5° |
| C20 | C21 | H12 | 109.3° | 109.5° |
| C20 | C21 | H13 | 109.3° | 109.5° |
| C17 | N16 | C21 | 111.6° | 110.8° |
| C17 | N16 | C14 | 107.7° | 111.0° |
| N16 | C17 | H5 | 108.5° | 109.5° |
| N16 | C17 | H6 | 108.5° | 109.5° |
| C23 | C28 | C27 | 120.3° | 120.0° |
| C28 | C23 | C24 | 119.6° | 120.0° |
| C23 | C28 | H33 | 119.9° | 120.0° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C28 | C27 | H32 | 120.1° | 119.9° |
| C27 | C28 | H33 | 119.8° | 120.1° |
| C21 | N16 | C14 | 110.5° | 111.0° |
| N16 | C21 | H12 | 109.4° | 109.5° |
| N16 | C21 | H13 | 109.3° | 109.5° |
| N16 | C14 | C10 | 115.8° | 109.5° |
| N16 | C14 | H2 | 107.9° | 109.5° |
| N16 | C14 | H3 | 107.9° | 109.4° |
| C8 | C9 | C10 | 120.7° | 119.9° |
| C9 | C8 | C13 | 117.5° | 119.9° |
| C8 | C9 | H28 | 119.6° | 120.1° |
| C9 | C10 | C14 | 120.0° | 120.0° |
| C9 | C10 | C11 | 120.4° | 120.0° |
| C10 | C9 | H28 | 119.7° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C23 | C24 | H30 | 120.0° | 120.0° |
| C8 | C13 | C12 | 122.0° | 119.9° |
| C8 | C13 | H1 | 119.0° | 120.1° |
| C27 | C26 | C25 | 119.2° | 120.0° |
| C27 | C26 | BR1 | 122.4° | 120.0° |
| C26 | C27 | H32 | 120.1° | 120.0° |
| C14 | C10 | C11 | 119.6° | 120.0° |
| C10 | C14 | H2 | 107.8° | 109.5° |
| C10 | C14 | H3 | 107.9° | 109.4° |
| C10 | C11 | C12 | 119.7° | 120.2° |
| C10 | C11 | H29 | 120.1° | 119.9° |
| C13 | C12 | C11 | 119.6° | 120.1° |
| C13 | C12 | C33 | 119.3° | 119.9° |
| C12 | C13 | H1 | 119.0° | 120.1° |
| C24 | C25 | C26 | 121.1° | 120.0° |
| C25 | C24 | H30 | 120.0° | 120.0° |
| C24 | C25 | H31 | 119.5° | 120.0° |
| C25 | C26 | BR1 | 118.4° | 120.0° |
| C26 | C25 | H31 | 119.4° | 120.0° |
| C11 | C12 | C33 | 121.1° | 120.0° |
| C12 | C11 | H29 | 120.2° | 120.0° |
| C12 | C33 | N34 | 112.5° | 109.4° |
| C12 | C33 | H34 | 108.7° | 109.5° |
| C12 | C33 | H35 | 108.7° | 109.5° |
| C33 | N34 | C35 | 111.4° | 111.0° |
| C33 | N34 | C39 | 109.9° | 111.0° |
| N34 | C33 | H34 | 108.7° | 109.4° |
| N34 | C33 | H35 | 108.7° | 109.5° |
| N34 | C35 | C36 | 110.2° | 109.4° |
| C35 | N34 | C39 | 109.0° | 110.9° |
| N34 | C35 | H37 | 109.3° | 109.5° |
| N34 | C35 | H38 | 109.3° | 109.5° |
| C35 | C36 | N37 | 110.1° | 109.4° |
| C36 | C35 | H37 | 109.3° | 109.5° |
| C36 | C35 | H38 | 109.3° | 109.5° |
| C35 | C36 | H39 | 109.3° | 109.5° |
| C35 | C36 | H40 | 109.3° | 109.5° |
| N34 | C39 | C38 | 109.9° | 109.3° |
| N34 | C39 | H44 | 109.4° | 109.4° |
| N34 | C39 | H45 | 109.4° | 109.5° |
| C36 | N37 | C38 | 109.3° | 110.9° |
| C36 | N37 | C40 | 111.0° | 111.0° |
| N37 | C36 | H39 | 109.3° | 109.5° |
| N37 | C36 | H40 | 109.3° | 109.5° |
| C39 | C38 | N37 | 109.8° | 109.4° |
| C39 | C38 | H42 | 109.4° | 109.5° |
| C39 | C38 | H43 | 109.4° | 109.5° |
| C38 | C39 | H44 | 109.4° | 109.6° |
| C38 | C39 | H45 | 109.4° | 109.5° |
| C38 | N37 | C40 | 111.9° | 111.0° |
| N37 | C38 | H42 | 109.4° | 109.5° |
| N37 | C38 | H43 | 109.4° | 109.5° |
| N37 | C40 | C41 | 113.5° | 109.5° |
| N37 | C40 | H46 | 108.5° | 109.5° |
| N37 | C40 | H47 | 108.4° | 109.5° |
| C40 | C41 | C42 | 122.0° | 120.0° |
| C40 | C41 | C46 | 119.5° | 120.0° |
| C41 | C40 | H46 | 108.4° | 109.4° |
| C41 | C40 | H47 | 108.5° | 109.4° |
| C41 | C42 | C43 | 120.6° | 120.0° |
| C42 | C41 | C46 | 118.5° | 120.0° |
| C41 | C42 | H48 | 119.7° | 119.9° |
| C42 | C43 | C44 | 120.8° | 120.0° |
| C43 | C42 | H48 | 119.7° | 120.0° |
| C42 | C43 | H49 | 119.6° | 120.0° |
| C41 | C46 | C45 | 120.7° | 120.0° |
| C41 | C46 | H51 | 119.7° | 120.0° |
| C43 | C44 | C45 | 119.4° | 120.0° |
| C43 | C44 | BR2 | 117.5° | 120.0° |
| C44 | C43 | H49 | 119.6° | 120.0° |
| C46 | C45 | C44 | 119.9° | 120.0° |
| C46 | C45 | H50 | 120.0° | 120.0° |
| C45 | C46 | H51 | 119.6° | 120.0° |
| C45 | C44 | BR2 | 123.1° | 120.0° |
| C44 | C45 | H50 | 120.0° | 120.0° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.4° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.4° |
| H18 | C3 | H20 | 109.5° | 109.5° |
| H19 | C3 | H20 | 109.4° | 109.5° |
| H21 | C4 | H22 | 109.5° | 109.5° |
| H23 | C5 | H24 | 109.4° | 109.5° |
| H23 | C5 | H25 | 109.5° | 109.5° |
| H24 | C5 | H25 | 109.5° | 109.4° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.4° | 109.5° |
| H42 | C38 | H43 | 109.4° | 109.4° |
| H44 | C39 | H45 | 109.5° | 109.5° |
| H46 | C40 | H47 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C7 | C1 | H26 | 180.0° | 180.0° |
| O8 | C7 | C1 | C2 | 9.2° | 120.0° |
| O8 | C7 | C1 | C4 | 132.8° | 0.0° |
| O8 | C7 | C1 | C6 | 102.6° | 120.0° |
| C7 | C1 | C4 | C5 | 47.5° | 60.0° |
| C7 | C1 | C2 | C3 | 67.7° | 180.0° |
| C7 | C1 | C2 | C4 | 121.9° | 120.0° |
| C7 | C1 | C2 | C6 | 116.0° | 120.0° |
| C7 | C1 | C4 | C6 | 121.5° | 120.0° |
| C7 | C1 | C6 | O10 | 46.0° | 120.0° |
| C7 | C1 | C6 | N9 | 137.5° | 60.0° |
| C7 | C1 | C2 | H16 | 53.4° | 60.0° |
| C7 | C1 | C2 | H17 | 171.2° | 60.1° |
| C7 | C1 | C4 | H21 | 168.7° | 180.0° |
| C7 | C1 | C4 | H22 | 73.8° | 60.0° |
| C5 | C4 | C1 | C2 | 76.1° | 60.0° |
| C5 | C4 | C1 | H21 | 121.2° | 120.0° |
| C5 | C4 | C1 | H22 | 121.2° | 120.0° |
| C5 | C4 | C1 | C6 | 169.0° | 180.0° |
| C5 | C4 | H21 | H22 | 116.0° | 120.0° |
| C4 | C5 | H23 | H24 | 120.0° | 120.0° |
| C4 | C5 | H23 | H25 | 120.0° | 120.0° |
| C4 | C5 | H24 | H25 | 120.0° | 119.9° |
| C3 | C2 | C1 | H16 | 121.1° | 120.0° |
| C3 | C2 | C1 | H17 | 121.1° | 119.9° |
| C3 | C2 | C1 | C4 | 54.2° | 60.0° |
| C3 | C2 | C1 | C6 | 176.3° | 60.0° |
| C3 | C2 | H16 | H17 | 116.4° | 120.0° |
| C2 | C3 | H18 | H19 | 120.0° | 120.0° |
| C2 | C3 | H18 | H20 | 120.0° | 120.0° |
| C2 | C3 | H19 | H20 | 120.0° | 120.0° |
| C2 | C1 | C4 | C6 | 114.9° | 120.0° |
| C2 | C1 | C6 | O10 | 72.1° | 120.1° |
| C2 | C1 | C6 | N9 | 104.4° | 60.0° |
| C1 | C2 | H16 | H17 | 116.4° | 120.1° |
| C1 | C2 | C3 | H18 | 180.0° | 180.0° |
| C1 | C2 | C3 | H19 | 60.0° | 60.0° |
| C1 | C2 | C3 | H20 | 60.0° | 60.0° |
| C2 | C1 | C4 | H21 | 45.1° | 60.0° |
| C2 | C1 | C4 | H22 | 162.7° | 180.0° |
| C2 | C1 | C7 | H26 | 170.8° | 60.0° |
| C4 | C1 | C6 | O10 | 167.4° | 0.0° |
| C4 | C1 | C6 | N9 | 16.1° | 180.0° |
| C4 | C1 | C2 | H16 | 175.4° | 59.9° |
| C4 | C1 | C2 | H17 | 66.9° | 179.9° |
| C1 | C4 | H21 | H22 | 116.1° | 120.0° |
| C1 | C4 | C5 | H23 | 180.0° | 60.0° |
| C1 | C4 | C5 | H24 | 60.0° | 60.0° |
| C1 | C4 | C5 | H25 | 60.0° | 180.0° |
| C4 | C1 | C7 | H26 | 47.1° | 180.0° |
| C1 | C6 | O10 | N9 | 176.4° | 180.0° |
| C1 | C6 | N9 | C8 | 177.9° | 175.4° |
| C6 | C1 | C2 | H16 | 62.6° | 180.0° |
| C6 | C1 | C2 | H17 | 55.1° | 59.9° |
| C6 | C1 | C4 | H21 | 69.8° | 60.0° |
| C6 | C1 | C4 | H22 | 47.7° | 60.0° |
| C6 | C1 | C7 | H26 | 77.4° | 60.0° |
| C1 | C6 | N9 | H27 | 2.1° | 4.6° |
| O10 | C6 | N9 | C8 | 1.6° | 4.6° |
| O10 | C6 | N9 | H27 | 178.4° | 175.4° |
| C6 | N9 | C8 | H27 | 180.0° | 180.0° |
| C6 | N9 | C8 | C9 | 0.9° | 144.1° |
| C6 | N9 | C8 | C13 | 178.8° | 35.1° |
| N19 | C18 | C17 | H7 | 119.9° | 119.9° |
| N19 | C18 | C17 | H8 | 119.9° | 120.0° |
| C18 | N19 | C22 | C20 | 122.7° | 123.8° |
| C18 | N19 | C22 | C23 | 162.3° | 170.0° |
| C18 | N19 | C20 | C21 | 69.4° | 59.3° |
| N19 | C18 | C17 | N16 | 51.2° | 58.4° |
| N19 | C18 | C17 | H5 | 69.4° | 178.4° |
| N19 | C18 | C17 | H6 | 171.9° | 61.7° |
| N19 | C18 | H7 | H8 | 120.2° | 120.1° |
| C18 | N19 | C20 | H10 | 50.2° | 60.6° |
| C18 | N19 | C20 | H11 | 171.1° | 179.3° |
| C18 | N19 | C22 | H14 | 77.6° | 70.0° |
| C18 | N19 | C22 | H15 | 42.2° | 50.0° |
| C17 | C18 | N19 | C22 | 173.1° | 176.8° |
| C17 | C18 | N19 | C20 | 62.4° | 59.3° |
| C18 | C17 | N16 | H5 | 120.6° | 120.0° |
| C18 | C17 | N16 | H6 | 120.6° | 120.0° |
| C18 | C17 | N16 | C21 | 47.4° | 59.3° |
| C18 | C17 | N16 | C14 | 168.8° | 176.8° |
| C18 | C17 | H5 | H6 | 118.1° | 120.0° |
| C17 | C18 | H7 | H8 | 120.3° | 120.1° |
| N19 | C22 | C23 | H14 | 120.1° | 120.0° |
| N19 | C22 | C23 | H15 | 120.1° | 120.1° |
| C22 | N19 | C20 | C21 | 165.2° | 176.8° |
| N19 | C22 | C23 | C28 | 144.3° | 90.3° |
| N19 | C22 | C23 | C24 | 35.2° | 90.0° |
| C22 | N19 | C18 | H7 | 53.2° | 63.2° |
| C22 | N19 | C18 | H8 | 66.9° | 56.8° |
| C22 | N19 | C20 | H10 | 75.2° | 63.2° |
| C22 | N19 | C20 | H11 | 45.7° | 56.8° |
| N19 | C22 | H14 | H15 | 119.7° | 120.0° |
| C23 | C22 | N19 | C20 | 75.0° | 66.1° |
| C22 | C23 | C28 | C24 | 179.5° | 179.7° |
| C22 | C23 | C28 | C27 | 179.9° | 179.8° |
| C22 | C23 | C24 | C25 | 179.4° | 180.0° |
| C23 | C22 | H14 | H15 | 119.7° | 120.0° |
| C22 | C23 | C24 | H30 | 0.6° | 0.0° |
| C22 | C23 | C28 | H33 | 0.1° | 0.0° |
| N9 | C8 | C9 | C13 | 179.7° | 179.2° |
| N9 | C8 | C9 | C10 | 179.6° | 179.7° |
| N9 | C8 | C13 | C12 | 179.7° | 180.0° |
| N9 | C8 | C13 | H1 | 0.3° | 0.5° |
| N9 | C8 | C9 | H28 | 0.4° | 0.3° |
| N19 | C20 | C21 | H10 | 119.5° | 119.9° |
| N19 | C20 | C21 | H11 | 119.5° | 120.0° |
| N19 | C20 | C21 | N16 | 64.5° | 58.4° |
| C20 | N19 | C18 | H7 | 177.6° | 60.7° |
| C20 | N19 | C18 | H8 | 57.5° | 179.3° |
| N19 | C20 | H10 | H11 | 121.4° | 120.1° |
| N19 | C20 | C21 | H12 | 175.4° | 61.6° |
| N19 | C20 | C21 | H13 | 55.6° | 178.4° |
| C20 | N19 | C22 | H14 | 45.1° | 53.8° |
| C20 | N19 | C22 | H15 | 164.9° | 173.8° |
| C20 | C21 | N16 | C17 | 53.6° | 59.3° |
| C20 | C21 | N16 | H12 | 120.0° | 120.0° |
| C20 | C21 | N16 | H13 | 120.1° | 120.0° |
| C20 | C21 | N16 | C14 | 173.3° | 176.8° |
| C21 | C20 | H10 | H11 | 121.4° | 120.1° |
| C20 | C21 | H12 | H13 | 119.8° | 120.0° |
| C17 | N16 | C21 | C14 | 119.8° | 123.8° |
| C17 | N16 | C14 | C10 | 175.6° | 66.3° |
| C17 | N16 | C14 | H2 | 63.5° | 53.8° |
| C17 | N16 | C14 | H3 | 54.7° | 173.8° |
| N16 | C17 | H5 | H6 | 118.2° | 120.0° |
| N16 | C17 | C18 | H7 | 171.1° | 61.5° |
| N16 | C17 | C18 | H8 | 68.7° | 178.4° |
| C17 | N16 | C21 | H12 | 173.6° | 60.7° |
| C17 | N16 | C21 | H13 | 66.5° | 179.3° |
| C23 | C28 | C27 | H33 | 180.0° | 179.7° |
| C23 | C28 | C27 | C26 | 0.5° | 0.5° |
| C28 | C23 | C24 | C25 | 0.1° | 0.3° |
| C28 | C23 | C22 | H14 | 24.2° | 149.7° |
| C28 | C23 | C22 | H15 | 95.6° | 29.7° |
| C28 | C23 | C24 | H30 | 179.9° | 179.7° |
| C23 | C28 | C27 | H32 | 179.5° | 179.7° |
| C27 | C28 | C23 | C24 | 0.5° | 0.5° |
| C28 | C27 | C26 | H32 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 0.1° | 0.2° |
| C28 | C27 | C26 | BR1 | 179.6° | 179.7° |
| C21 | N16 | C14 | C10 | 62.3° | 170.0° |
| C21 | N16 | C14 | H2 | 58.6° | 70.0° |
| C21 | N16 | C14 | H3 | 176.8° | 50.1° |
| C21 | N16 | C17 | H5 | 73.3° | 179.3° |
| C21 | N16 | C17 | H6 | 168.0° | 60.7° |
| N16 | C21 | C20 | H10 | 55.0° | 61.5° |
| N16 | C21 | C20 | H11 | 176.0° | 178.4° |
| N16 | C21 | H12 | H13 | 119.8° | 120.0° |
| N16 | C14 | C10 | C9 | 83.6° | 89.7° |
| N16 | C14 | C10 | H2 | 120.9° | 120.0° |
| N16 | C14 | C10 | H3 | 120.9° | 119.9° |
| N16 | C14 | C10 | C11 | 97.8° | 90.0° |
| N16 | C14 | H2 | H3 | 117.1° | 120.0° |
| C14 | N16 | C17 | H5 | 48.2° | 56.9° |
| C14 | N16 | C17 | H6 | 70.6° | 63.1° |
| C14 | N16 | C21 | H12 | 66.6° | 63.1° |
| C14 | N16 | C21 | H13 | 53.3° | 56.8° |
| C8 | C9 | C10 | H28 | 180.0° | 180.0° |
| C8 | C9 | C10 | C14 | 179.3° | 179.7° |
| C8 | C9 | C10 | C11 | 0.7° | 0.0° |
| C9 | C8 | C13 | C12 | 0.6° | 0.8° |
| C9 | C8 | C13 | H1 | 179.4° | 179.7° |
| C9 | C8 | N9 | H27 | 179.1° | 35.9° |
| C10 | C9 | C8 | C13 | 0.1° | 0.5° |
| C9 | C10 | C14 | C11 | 178.6° | 179.7° |
| C9 | C10 | C11 | C12 | 0.6° | 0.2° |
| C9 | C10 | C14 | H2 | 155.5° | 30.3° |
| C9 | C10 | C14 | H3 | 37.4° | 150.3° |
| C9 | C10 | C11 | H29 | 179.4° | 179.7° |
| C23 | C24 | C25 | H30 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.7° | 0.0° |
| C24 | C23 | C22 | H14 | 155.3° | 30.0° |
| C24 | C23 | C22 | H15 | 84.9° | 150.0° |
| C23 | C24 | C25 | H31 | 179.3° | 180.0° |
| C24 | C23 | C28 | H33 | 179.5° | 179.7° |
| C8 | C13 | C12 | H1 | 180.0° | 179.5° |
| C8 | C13 | C12 | C11 | 0.6° | 0.6° |
| C8 | C13 | C12 | C33 | 180.0° | 179.9° |
| C13 | C8 | N9 | H27 | 1.2° | 144.9° |
| C13 | C8 | C9 | H28 | 179.9° | 179.5° |
| C27 | C26 | C25 | C24 | 0.7° | 0.0° |
| C27 | C26 | C25 | BR1 | 179.7° | 180.0° |
| C27 | C26 | C25 | H31 | 179.3° | 180.0° |
| C26 | C27 | C28 | H33 | 179.5° | 179.8° |
| C14 | C10 | C11 | C12 | 179.2° | 179.9° |
| C10 | C14 | H2 | H3 | 117.1° | 120.0° |
| C14 | C10 | C9 | H28 | 0.7° | 0.3° |
| C14 | C10 | C11 | H29 | 0.8° | 0.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C10 | C11 | C12 | H29 | 180.0° | 179.9° |
| C10 | C11 | C12 | C33 | 179.4° | 179.4° |
| C11 | C10 | C14 | H2 | 23.1° | 150.0° |
| C11 | C10 | C14 | H3 | 141.3° | 30.0° |
| C11 | C10 | C9 | H28 | 179.3° | 180.0° |
| C13 | C12 | C11 | C33 | 179.3° | 179.4° |
| C13 | C12 | C33 | N34 | 89.0° | 90.1° |
| C13 | C12 | C11 | H29 | 180.0° | 180.0° |
| C13 | C12 | C33 | H34 | 31.5° | 150.0° |
| C13 | C12 | C33 | H35 | 150.6° | 29.9° |
| C24 | C25 | C26 | H31 | 180.0° | 180.0° |
| C24 | C25 | C26 | BR1 | 179.0° | 180.0° |
| C26 | C25 | C24 | H30 | 179.3° | 180.0° |
| C25 | C26 | C27 | H32 | 179.9° | 179.9° |
| BR1 | C26 | C25 | H31 | 1.0° | 0.0° |
| BR1 | C26 | C27 | H32 | 0.4° | 0.1° |
| C11 | C12 | C33 | N34 | 91.7° | 90.6° |
| C11 | C12 | C13 | H1 | 179.4° | 179.9° |
| C11 | C12 | C33 | H34 | 147.9° | 29.3° |
| C11 | C12 | C33 | H35 | 28.7° | 149.4° |
| C12 | C33 | N34 | H34 | 120.4° | 120.0° |
| C12 | C33 | N34 | H35 | 120.4° | 120.0° |
| C12 | C33 | N34 | C35 | 77.1° | 66.2° |
| C12 | C33 | N34 | C39 | 162.0° | 170.0° |
| C33 | C12 | C13 | H1 | 0.0° | 0.6° |
| C33 | C12 | C11 | H29 | 0.6° | 0.6° |
| C12 | C33 | H34 | H35 | 118.6° | 120.1° |
| C33 | N34 | C35 | C39 | 121.4° | 123.9° |
| C33 | N34 | C35 | C36 | 179.4° | 176.8° |
| C33 | N34 | C39 | C38 | 178.2° | 176.8° |
| N34 | C33 | H34 | H35 | 118.6° | 119.9° |
| C33 | N34 | C35 | H37 | 59.2° | 56.8° |
| C33 | N34 | C35 | H38 | 60.5° | 63.3° |
| C33 | N34 | C39 | H44 | 61.7° | 63.2° |
| C33 | N34 | C39 | H45 | 58.1° | 56.8° |
| N34 | C35 | C36 | H37 | 120.1° | 120.0° |
| N34 | C35 | C36 | H38 | 120.1° | 119.9° |
| N34 | C35 | C36 | N37 | 59.4° | 58.4° |
| C35 | N34 | C39 | C38 | 59.5° | 59.3° |
| C35 | N34 | C33 | H34 | 43.3° | 53.8° |
| C35 | N34 | C33 | H35 | 162.4° | 173.8° |
| N34 | C35 | H37 | H38 | 119.7° | 120.0° |
| N34 | C35 | C36 | H39 | 60.7° | 61.6° |
| N34 | C35 | C36 | H40 | 179.6° | 178.4° |
| C35 | N34 | C39 | H44 | 60.6° | 60.7° |
| C35 | N34 | C39 | H45 | 179.6° | 179.3° |
| C36 | C35 | N34 | C39 | 59.2° | 59.3° |
| C35 | C36 | N37 | H39 | 120.1° | 120.0° |
| C35 | C36 | N37 | H40 | 120.1° | 120.0° |
| C35 | C36 | N37 | C38 | 59.0° | 59.3° |
| C35 | C36 | N37 | C40 | 177.1° | 176.8° |
| C36 | C35 | H37 | H38 | 119.7° | 120.1° |
| C35 | C36 | H39 | H40 | 119.7° | 120.0° |
| N34 | C39 | C38 | H44 | 120.1° | 119.9° |
| N34 | C39 | C38 | H45 | 120.1° | 119.9° |
| N34 | C39 | C38 | N37 | 60.1° | 58.4° |
| C39 | N34 | C33 | H34 | 77.6° | 70.0° |
| C39 | N34 | C33 | H35 | 41.5° | 50.0° |
| C39 | N34 | C35 | H37 | 179.3° | 179.3° |
| C39 | N34 | C35 | H38 | 60.9° | 60.6° |
| N34 | C39 | C38 | H42 | 179.8° | 61.6° |
| N34 | C39 | C38 | H43 | 59.9° | 178.4° |
| N34 | C39 | H44 | H45 | 119.8° | 120.0° |
| C36 | N37 | C38 | C39 | 59.4° | 59.4° |
| C36 | N37 | C38 | C40 | 123.3° | 123.9° |
| C36 | N37 | C40 | C41 | 147.2° | 170.0° |
| N37 | C36 | C35 | H37 | 179.5° | 178.4° |
| N37 | C36 | C35 | H38 | 60.7° | 61.5° |
| N37 | C36 | H39 | H40 | 119.7° | 120.1° |
| C36 | N37 | C38 | H42 | 179.4° | 60.7° |
| C36 | N37 | C38 | H43 | 60.7° | 179.3° |
| C36 | N37 | C40 | H46 | 92.2° | 70.0° |
| C36 | N37 | C40 | H47 | 26.6° | 50.0° |
| C39 | C38 | N37 | H42 | 120.1° | 120.0° |
| C39 | C38 | N37 | H43 | 120.1° | 120.0° |
| C39 | C38 | N37 | C40 | 177.3° | 176.8° |
| C39 | C38 | H42 | H43 | 119.8° | 120.0° |
| C38 | C39 | H44 | H45 | 119.8° | 120.1° |
| C38 | N37 | C40 | C41 | 90.4° | 66.2° |
| C38 | N37 | C36 | H39 | 61.1° | 60.6° |
| C38 | N37 | C36 | H40 | 179.1° | 179.3° |
| N37 | C38 | H42 | H43 | 119.8° | 120.0° |
| N37 | C38 | C39 | H44 | 59.9° | 61.5° |
| N37 | C38 | C39 | H45 | 179.8° | 178.4° |
| C38 | N37 | C40 | H46 | 30.2° | 53.8° |
| C38 | N37 | C40 | H47 | 149.0° | 173.8° |
| N37 | C40 | C41 | H46 | 120.6° | 120.0° |
| N37 | C40 | C41 | H47 | 120.6° | 120.0° |
| N37 | C40 | C41 | C42 | 6.4° | 89.7° |
| N37 | C40 | C41 | C46 | 173.7° | 89.9° |
| C40 | N37 | C36 | H39 | 62.8° | 63.2° |
| C40 | N37 | C36 | H40 | 56.9° | 56.8° |
| C40 | N37 | C38 | H42 | 57.2° | 63.2° |
| C40 | N37 | C38 | H43 | 62.6° | 56.8° |
| N37 | C40 | H46 | H47 | 118.1° | 120.1° |
| C40 | C41 | C42 | C46 | 179.9° | 179.6° |
| C40 | C41 | C42 | C43 | 179.7° | 180.0° |
| C40 | C41 | C46 | C45 | 179.8° | 179.8° |
| C41 | C40 | H46 | H47 | 118.2° | 119.9° |
| C40 | C41 | C42 | H48 | 0.3° | 0.1° |
| C40 | C41 | C46 | H51 | 0.2° | 0.1° |
| C41 | C42 | C43 | H48 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.2° | 0.0° |
| C42 | C41 | C46 | C45 | 0.1° | 0.6° |
| C42 | C41 | C40 | H46 | 114.2° | 150.3° |
| C42 | C41 | C40 | H47 | 127.0° | 30.4° |
| C41 | C42 | C43 | H49 | 179.7° | 180.0° |
| C42 | C41 | C46 | H51 | 179.9° | 179.7° |
| C43 | C42 | C41 | C46 | 0.2° | 0.3° |
| C42 | C43 | C44 | H49 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.3° | 0.0° |
| C42 | C43 | C44 | BR2 | 179.7° | 180.0° |
| C41 | C46 | C45 | H51 | 180.0° | 179.7° |
| C41 | C46 | C45 | C44 | 0.1° | 0.6° |
| C46 | C41 | C40 | H46 | 65.7° | 30.1° |
| C46 | C41 | C40 | H47 | 53.1° | 150.0° |
| C46 | C41 | C42 | H48 | 179.8° | 179.7° |
| C41 | C46 | C45 | H50 | 179.9° | 179.7° |
| C43 | C44 | C45 | C46 | 0.2° | 0.3° |
| C43 | C44 | C45 | BR2 | 179.5° | 179.9° |
| C44 | C43 | C42 | H48 | 179.8° | 180.0° |
| C43 | C44 | C45 | H50 | 179.8° | 180.0° |
| C46 | C45 | C44 | H50 | 180.0° | 179.8° |
| C46 | C45 | C44 | BR2 | 179.7° | 179.8° |
| C45 | C44 | C43 | H49 | 179.7° | 180.0° |
| C44 | C45 | C46 | H51 | 179.9° | 179.7° |
| BR2 | C44 | C43 | H49 | 0.2° | 0.1° |
| BR2 | C44 | C45 | H50 | 0.3° | 0.0° |
| H5 | C17 | C18 | H7 | 50.5° | 58.4° |
| H5 | C17 | C18 | H8 | 170.7° | 61.6° |
| H6 | C17 | C18 | H7 | 68.2° | 178.4° |
| H6 | C17 | C18 | H8 | 51.9° | 58.3° |
| H10 | C20 | C21 | H12 | 65.1° | 178.5° |
| H10 | C20 | C21 | H13 | 175.1° | 58.5° |
| H11 | C20 | C21 | H12 | 55.9° | 58.4° |
| H11 | C20 | C21 | H13 | 64.0° | 61.6° |
| H16 | C2 | C3 | H18 | 58.9° | 60.0° |
| H16 | C2 | C3 | H19 | 61.2° | 180.0° |
| H16 | C2 | C3 | H20 | 178.9° | 60.0° |
| H17 | C2 | C3 | H18 | 58.8° | 60.0° |
| H17 | C2 | C3 | H19 | 178.9° | 60.0° |
| H17 | C2 | C3 | H20 | 61.2° | 180.0° |
| H18 | C3 | H19 | H20 | 120.0° | 120.0° |
| H21 | C4 | C5 | H23 | 58.8° | 180.0° |
| H21 | C4 | C5 | H24 | 61.2° | 59.9° |
| H21 | C4 | C5 | H25 | 178.8° | 60.0° |
| H22 | C4 | C5 | H23 | 58.7° | 60.0° |
| H22 | C4 | C5 | H24 | 178.7° | 179.9° |
| H22 | C4 | C5 | H25 | 61.3° | 60.0° |
| H23 | C5 | H24 | H25 | 120.0° | 120.0° |
| H30 | C24 | C25 | H31 | 0.7° | 0.0° |
| H32 | C27 | C28 | H33 | 0.5° | 0.1° |
| H37 | C35 | C36 | H39 | 59.4° | 58.4° |
| H37 | C35 | C36 | H40 | 60.3° | 61.6° |
| H38 | C35 | C36 | H39 | 179.2° | 178.5° |
| H38 | C35 | C36 | H40 | 59.4° | 58.4° |
| H42 | C38 | C39 | H44 | 60.1° | 178.5° |
| H42 | C38 | C39 | H45 | 59.7° | 58.3° |
| H43 | C38 | C39 | H44 | 180.0° | 58.5° |
| H43 | C38 | C39 | H45 | 60.1° | 61.7° |
| H48 | C42 | C43 | H49 | 0.3° | 0.0° |
| H50 | C45 | C46 | H51 | 0.1° | 0.0° |
