GWZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C6 | sing | 1.43Å | 1.45Å | |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C5 | N4 | sing | 1.47Å | 1.48Å | |
| C3 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C7 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| O9 | C8 | doub | 1.21Å | 1.23Å | |
| C8 | N10 | sing | 1.35Å | 1.32Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | C20 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.40Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| C19 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | O21 | doub | 1.21Å | 1.23Å | |
| C20 | N22 | sing | 1.35Å | 1.33Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| N22 | C23 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C28 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | O29 | doub | 1.21Å | 1.23Å | |
| C28 | N30 | sing | 1.35Å | 1.33Å | |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| N30 | C31 | sing | 1.47Å | 1.46Å | |
| C33 | C32 | sing | 1.51Å | 1.39Å | |
| C33 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C39 | sing | 1.51Å | 1.52Å | |
| O40 | C39 | doub | 1.21Å | 1.23Å | |
| C39 | N41 | sing | 1.35Å | 1.33Å | |
| C45 | C44 | sing | 1.53Å | 1.54Å | |
| C59 | C51 | sing | 1.53Å | 1.56Å | |
| N41 | C42 | sing | 1.46Å | 1.47Å | |
| C44 | C46 | sing | 1.53Å | 1.54Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | C47 | sing | 1.53Å | 1.56Å | |
| O60 | C51 | sing | 1.43Å | 1.44Å | |
| C51 | C47 | sing | 1.53Å | 1.61Å | |
| C51 | C58 | sing | 1.53Å | 1.59Å | |
| C47 | O48 | sing | 1.43Å | 1.43Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | 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 | |
| N10 | H21 | sing | 0.97Å | 1.00Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| N22 | H28 | sing | 0.97Å | 1.00Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| N30 | H34 | sing | 0.97Å | 1.00Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.08Å | 1.08Å | |
| C35 | H39 | sing | 1.08Å | 1.08Å | |
| C36 | H40 | sing | 1.08Å | 1.08Å | |
| C37 | H41 | sing | 1.08Å | 1.08Å | |
| C38 | H42 | sing | 1.08Å | 1.08Å | |
| N41 | H43 | sing | 0.97Å | 1.00Å | |
| C42 | H44 | sing | 1.09Å | 1.10Å | |
| C43 | H45 | sing | 1.09Å | 1.10Å | |
| C43 | H46 | sing | 1.09Å | 1.10Å | |
| C44 | H47 | sing | 1.09Å | 1.10Å | |
| C46 | H48 | sing | 1.09Å | 1.10Å | |
| C46 | H49 | sing | 1.09Å | 1.10Å | |
| C46 | H50 | sing | 1.09Å | 1.10Å | |
| C45 | H51 | sing | 1.09Å | 1.10Å | |
| C45 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C47 | H54 | sing | 1.09Å | 1.10Å | |
| O48 | H55 | sing | 0.97Å | 0.95Å | |
| C58 | H56 | sing | 1.09Å | 1.10Å | |
| C58 | H57 | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H60 | sing | 1.09Å | 1.10Å | |
| C59 | H61 | sing | 1.09Å | 1.10Å | |
| O60 | H62 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | O1 | C2 | 111.8° | 113.7° |
| O1 | C6 | C5 | 110.3° | 109.2° |
| O1 | C6 | H3 | 109.2° | 109.5° |
| O1 | C6 | H4 | 109.2° | 109.6° |
| O1 | C2 | C3 | 108.9° | 109.3° |
| O1 | C2 | H16 | 109.6° | 109.5° |
| O1 | C2 | H17 | 109.6° | 109.5° |
| C6 | C5 | N4 | 109.0° | 109.3° |
| C6 | C5 | H1 | 109.6° | 109.5° |
| C6 | C5 | H2 | 109.6° | 109.6° |
| C5 | C6 | H3 | 109.3° | 109.5° |
| C5 | C6 | H4 | 109.3° | 109.5° |
| C2 | C3 | N4 | 109.8° | 109.3° |
| C3 | C2 | H16 | 109.6° | 109.5° |
| C3 | C2 | H17 | 109.6° | 109.5° |
| C2 | C3 | H18 | 109.4° | 109.5° |
| C2 | C3 | H19 | 109.4° | 109.5° |
| C5 | N4 | C3 | 111.8° | 110.7° |
| C5 | N4 | C7 | 113.5° | 111.1° |
| N4 | C5 | H1 | 109.6° | 109.5° |
| N4 | C5 | H2 | 109.6° | 109.6° |
| C3 | N4 | C7 | 111.5° | 111.0° |
| N4 | C3 | H18 | 109.4° | 109.5° |
| N4 | C3 | H19 | 109.4° | 109.5° |
| N4 | C7 | C8 | 115.0° | 109.5° |
| N4 | C7 | H5 | 108.0° | 109.5° |
| N4 | C7 | H6 | 108.1° | 109.5° |
| C7 | C8 | O9 | 123.5° | 120.0° |
| C7 | C8 | N10 | 113.2° | 120.0° |
| C8 | C7 | H5 | 108.1° | 109.5° |
| C8 | C7 | H6 | 108.1° | 109.5° |
| O9 | C8 | N10 | 123.4° | 120.0° |
| C8 | N10 | C11 | 121.5° | 120.0° |
| C8 | N10 | H21 | 119.2° | 120.0° |
| N10 | C11 | C20 | 107.8° | 109.5° |
| N10 | C11 | C12 | 108.7° | 109.4° |
| C11 | N10 | H21 | 119.3° | 120.0° |
| N10 | C11 | H22 | 111.6° | 109.4° |
| C20 | C11 | C12 | 106.8° | 109.5° |
| C11 | C20 | O21 | 120.6° | 120.0° |
| C11 | C20 | N22 | 114.2° | 120.0° |
| C20 | C11 | H22 | 110.9° | 109.5° |
| C11 | C12 | C13 | 110.4° | 109.5° |
| C12 | C11 | H22 | 110.8° | 109.5° |
| C11 | C12 | H23 | 109.3° | 109.5° |
| C11 | C12 | H24 | 109.2° | 109.5° |
| C12 | C13 | C14 | 114.4° | 109.4° |
| C12 | C13 | H7 | 108.2° | 109.5° |
| C12 | C13 | H8 | 108.2° | 109.5° |
| C13 | C12 | H23 | 109.2° | 109.5° |
| C13 | C12 | H24 | 109.2° | 109.5° |
| C13 | C14 | C19 | 116.5° | 120.0° |
| C13 | C14 | C15 | 124.8° | 120.0° |
| C14 | C13 | H7 | 108.3° | 109.5° |
| C14 | C13 | H8 | 108.2° | 109.4° |
| C27 | C25 | C26 | 109.7° | 109.5° |
| C27 | C25 | C24 | 111.1° | 109.5° |
| C27 | C25 | H30 | 109.1° | 109.5° |
| C25 | C27 | H31 | 109.5° | 109.5° |
| C25 | C27 | H32 | 109.5° | 109.5° |
| C25 | C27 | H33 | 109.5° | 109.5° |
| C14 | C19 | C18 | 120.6° | 120.0° |
| C19 | C14 | C15 | 118.7° | 120.0° |
| C14 | C19 | H27 | 119.7° | 120.0° |
| C19 | C18 | C17 | 120.1° | 120.0° |
| C19 | C18 | H26 | 120.0° | 120.0° |
| C18 | C19 | H27 | 119.7° | 120.0° |
| O21 | C20 | N22 | 125.2° | 120.0° |
| C20 | N22 | C23 | 120.0° | 120.0° |
| C20 | N22 | H28 | 120.0° | 120.0° |
| C26 | C25 | C24 | 108.6° | 109.4° |
| C25 | C26 | H13 | 109.5° | 109.5° |
| C25 | C26 | H14 | 109.5° | 109.5° |
| C25 | C26 | H15 | 109.5° | 109.5° |
| C26 | C25 | H30 | 109.1° | 109.4° |
| C25 | C24 | C23 | 111.4° | 109.4° |
| C25 | C24 | H11 | 109.0° | 109.5° |
| C25 | C24 | H12 | 109.0° | 109.5° |
| C24 | C25 | H30 | 109.1° | 109.5° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C14 | C15 | H9 | 119.6° | 120.0° |
| N22 | C23 | C24 | 112.2° | 109.4° |
| N22 | C23 | C28 | 106.4° | 109.5° |
| C23 | N22 | H28 | 120.0° | 120.0° |
| N22 | C23 | H29 | 110.2° | 109.5° |
| C18 | C17 | C16 | 119.9° | 120.0° |
| C18 | C17 | H10 | 120.1° | 120.0° |
| C17 | C18 | H26 | 119.9° | 120.0° |
| C24 | C23 | C28 | 109.4° | 109.5° |
| C23 | C24 | H11 | 109.0° | 109.5° |
| C23 | C24 | H12 | 109.0° | 109.4° |
| C24 | C23 | H29 | 109.3° | 109.5° |
| C23 | C28 | O29 | 120.9° | 120.0° |
| C23 | C28 | N30 | 114.2° | 120.0° |
| C28 | C23 | H29 | 109.3° | 109.5° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | H9 | 119.6° | 120.0° |
| C15 | C16 | H25 | 120.1° | 120.0° |
| C16 | C17 | H10 | 120.1° | 120.0° |
| C17 | C16 | H25 | 120.1° | 120.0° |
| C34 | C35 | C36 | 120.1° | 120.0° |
| C35 | C34 | C33 | 120.0° | 120.0° |
| C35 | C34 | H38 | 120.0° | 120.0° |
| C34 | C35 | H39 | 119.9° | 120.0° |
| C35 | C36 | C37 | 119.9° | 120.0° |
| C36 | C35 | H39 | 119.9° | 120.0° |
| C35 | C36 | H40 | 120.1° | 120.0° |
| O29 | C28 | N30 | 124.8° | 120.0° |
| C28 | N30 | C31 | 122.6° | 120.0° |
| C28 | N30 | H34 | 118.7° | 120.0° |
| C34 | C33 | C32 | 120.3° | 120.0° |
| C34 | C33 | C38 | 119.8° | 120.0° |
| C33 | C34 | H38 | 120.0° | 120.0° |
| C36 | C37 | C38 | 120.0° | 120.0° |
| C37 | C36 | H40 | 120.0° | 120.0° |
| C36 | C37 | H41 | 120.0° | 120.0° |
| N30 | C31 | C32 | 111.5° | 109.5° |
| N30 | C31 | C39 | 106.2° | 109.5° |
| C31 | N30 | H34 | 118.7° | 120.0° |
| N30 | C31 | H35 | 110.1° | 109.5° |
| C32 | C33 | C38 | 119.9° | 120.0° |
| C33 | C32 | C31 | 110.0° | 109.5° |
| C33 | C32 | H36 | 109.3° | 109.5° |
| C33 | C32 | H37 | 109.4° | 109.5° |
| C33 | C38 | C37 | 120.2° | 120.0° |
| C33 | C38 | H42 | 119.9° | 120.1° |
| C38 | C37 | H41 | 120.0° | 120.0° |
| C37 | C38 | H42 | 119.9° | 119.9° |
| C32 | C31 | C39 | 110.3° | 109.5° |
| C32 | C31 | H35 | 109.2° | 109.5° |
| C31 | C32 | H36 | 109.3° | 109.5° |
| C31 | C32 | H37 | 109.3° | 109.5° |
| C31 | C39 | O40 | 120.6° | 120.0° |
| C31 | C39 | N41 | 114.8° | 120.0° |
| C39 | C31 | H35 | 109.4° | 109.5° |
| O40 | C39 | N41 | 124.6° | 120.0° |
| C39 | N41 | C42 | 122.4° | 120.0° |
| C39 | N41 | H43 | 118.8° | 120.0° |
| C45 | C44 | C46 | 110.9° | 109.5° |
| C45 | C44 | C43 | 112.4° | 109.4° |
| C45 | C44 | H47 | 108.6° | 109.5° |
| C44 | C45 | H51 | 109.5° | 109.5° |
| C44 | C45 | H52 | 109.5° | 109.5° |
| C44 | C45 | H53 | 109.5° | 109.4° |
| C59 | C51 | O60 | 106.0° | 109.5° |
| C59 | C51 | C47 | 115.5° | 109.4° |
| C59 | C51 | C58 | 101.1° | 109.5° |
| C51 | C59 | H59 | 109.5° | 109.5° |
| C51 | C59 | H60 | 109.5° | 109.4° |
| C51 | C59 | H61 | 109.5° | 109.5° |
| N41 | C42 | C43 | 108.3° | 109.5° |
| N41 | C42 | C47 | 109.8° | 109.5° |
| C42 | N41 | H43 | 118.8° | 120.0° |
| N41 | C42 | H44 | 109.9° | 109.5° |
| C46 | C44 | C43 | 107.5° | 109.4° |
| C46 | C44 | H47 | 108.7° | 109.5° |
| C44 | C46 | H48 | 109.5° | 109.6° |
| C44 | C46 | H49 | 109.5° | 109.4° |
| C44 | C46 | H50 | 109.5° | 109.5° |
| C44 | C43 | C42 | 114.6° | 109.4° |
| C44 | C43 | H45 | 108.2° | 109.4° |
| C44 | C43 | H46 | 108.2° | 109.5° |
| C43 | C44 | H47 | 108.6° | 109.5° |
| C43 | C42 | C47 | 111.0° | 109.4° |
| C43 | C42 | H44 | 109.0° | 109.4° |
| C42 | C43 | H45 | 108.2° | 109.4° |
| C42 | C43 | H46 | 108.2° | 109.5° |
| C42 | C47 | C51 | 114.7° | 109.4° |
| C42 | C47 | O48 | 105.1° | 109.4° |
| C47 | C42 | H44 | 108.8° | 109.5° |
| C42 | C47 | H54 | 108.9° | 109.5° |
| O60 | C51 | C47 | 105.3° | 109.5° |
| O60 | C51 | C58 | 112.0° | 109.5° |
| C51 | O60 | H62 | 109.5° | 114.0° |
| C47 | C51 | C58 | 116.7° | 109.5° |
| C51 | C47 | O48 | 109.2° | 109.5° |
| C51 | C47 | H54 | 108.3° | 109.5° |
| C51 | C58 | H56 | 109.5° | 109.5° |
| C51 | C58 | H57 | 109.5° | 109.5° |
| C51 | C58 | H58 | 109.5° | 109.5° |
| O48 | C47 | H54 | 110.6° | 109.5° |
| C47 | O48 | H55 | 109.5° | 114.0° |
| H1 | C5 | H2 | 109.5° | 109.4° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.4° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.4° |
| H13 | C26 | H15 | 109.4° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.4° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.6° |
| H23 | C12 | H24 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.5° | 109.4° |
| H31 | C27 | H33 | 109.4° | 109.4° |
| H32 | C27 | H33 | 109.5° | 109.5° |
| H36 | C32 | H37 | 109.5° | 109.4° |
| H45 | C43 | H46 | 109.5° | 109.5° |
| H48 | C46 | H49 | 109.4° | 109.4° |
| H48 | C46 | H50 | 109.5° | 109.4° |
| H49 | C46 | H50 | 109.5° | 109.4° |
| H51 | C45 | H52 | 109.4° | 109.5° |
| H51 | C45 | H53 | 109.5° | 109.5° |
| H52 | C45 | H53 | 109.4° | 109.4° |
| H56 | C58 | H57 | 109.4° | 109.5° |
| H56 | C58 | H58 | 109.4° | 109.5° |
| H57 | C58 | H58 | 109.5° | 109.4° |
| H59 | C59 | H60 | 109.4° | 109.5° |
| H59 | C59 | H61 | 109.4° | 109.6° |
| H60 | C59 | H61 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C6 | C5 | H3 | 120.1° | 119.9° |
| O1 | C6 | C5 | H4 | 120.1° | 120.0° |
| C6 | O1 | C2 | C3 | 59.9° | 58.7° |
| O1 | C6 | C5 | N4 | 57.6° | 56.9° |
| O1 | C6 | C5 | H1 | 177.5° | 176.8° |
| O1 | C6 | C5 | H2 | 62.3° | 63.2° |
| O1 | C6 | H3 | H4 | 119.6° | 120.2° |
| C6 | O1 | C2 | H16 | 179.8° | 178.6° |
| C6 | O1 | C2 | H17 | 60.0° | 61.3° |
| C2 | O1 | C6 | C5 | 61.5° | 58.7° |
| O1 | C2 | C3 | H16 | 119.9° | 120.0° |
| O1 | C2 | C3 | H17 | 119.9° | 120.0° |
| O1 | C2 | C3 | N4 | 56.5° | 56.8° |
| C2 | O1 | C6 | H3 | 58.6° | 178.5° |
| C2 | O1 | C6 | H4 | 178.4° | 61.3° |
| O1 | C2 | H16 | H17 | 120.3° | 120.1° |
| O1 | C2 | C3 | H18 | 63.6° | 63.1° |
| O1 | C2 | C3 | H19 | 176.5° | 176.8° |
| C6 | C5 | N4 | H1 | 119.9° | 119.9° |
| C6 | C5 | N4 | H2 | 119.9° | 120.0° |
| C6 | C5 | N4 | C3 | 56.3° | 58.6° |
| C6 | C5 | N4 | C7 | 176.5° | 177.6° |
| C6 | C5 | H1 | H2 | 120.2° | 120.1° |
| C5 | C6 | H3 | H4 | 119.6° | 120.1° |
| C2 | C3 | N4 | C5 | 56.0° | 58.6° |
| C2 | C3 | N4 | H18 | 120.0° | 119.9° |
| C2 | C3 | N4 | H19 | 120.0° | 120.0° |
| C2 | C3 | N4 | C7 | 175.7° | 177.6° |
| C3 | C2 | H16 | H17 | 120.3° | 120.1° |
| C2 | C3 | H18 | H19 | 119.8° | 120.2° |
| C5 | N4 | C3 | C7 | 128.3° | 123.8° |
| C5 | N4 | C7 | C8 | 72.4° | 170.0° |
| N4 | C5 | H1 | H2 | 120.2° | 120.1° |
| N4 | C5 | C6 | H3 | 62.5° | 176.8° |
| N4 | C5 | C6 | H4 | 177.7° | 63.1° |
| C5 | N4 | C7 | H5 | 166.8° | 69.9° |
| C5 | N4 | C7 | H6 | 48.4° | 50.0° |
| C5 | N4 | C3 | H18 | 64.0° | 61.3° |
| C5 | N4 | C3 | H19 | 176.0° | 178.6° |
| C3 | N4 | C7 | C8 | 55.0° | 66.4° |
| C3 | N4 | C5 | H1 | 176.2° | 178.5° |
| C3 | N4 | C5 | H2 | 63.7° | 61.4° |
| C3 | N4 | C7 | H5 | 65.8° | 53.7° |
| C3 | N4 | C7 | H6 | 175.8° | 173.6° |
| N4 | C3 | C2 | H16 | 176.4° | 176.8° |
| N4 | C3 | C2 | H17 | 63.4° | 63.2° |
| N4 | C3 | H18 | H19 | 119.9° | 120.1° |
| N4 | C7 | C8 | H5 | 120.8° | 120.1° |
| N4 | C7 | C8 | H6 | 120.8° | 120.0° |
| N4 | C7 | C8 | O9 | 35.1° | 0.0° |
| N4 | C7 | C8 | N10 | 145.7° | 180.0° |
| C7 | N4 | C5 | H1 | 56.6° | 57.7° |
| C7 | N4 | C5 | H2 | 63.6° | 62.4° |
| N4 | C7 | H5 | H6 | 117.4° | 120.0° |
| C7 | N4 | C3 | H18 | 64.3° | 62.5° |
| C7 | N4 | C3 | H19 | 55.7° | 57.6° |
| C7 | C8 | O9 | N10 | 179.1° | 179.9° |
| C7 | C8 | N10 | C11 | 178.9° | 180.0° |
| C8 | C7 | H5 | H6 | 117.5° | 120.0° |
| C7 | C8 | N10 | H21 | 1.1° | 0.1° |
| O9 | C8 | N10 | C11 | 0.2° | 0.0° |
| O9 | C8 | C7 | H5 | 155.9° | 120.0° |
| O9 | C8 | C7 | H6 | 85.7° | 120.0° |
| O9 | C8 | N10 | H21 | 179.7° | 180.0° |
| C8 | N10 | C11 | H21 | 180.0° | 180.0° |
| C8 | N10 | C11 | C20 | 84.5° | 155.0° |
| C8 | N10 | C11 | C12 | 160.1° | 85.0° |
| N10 | C8 | C7 | H5 | 24.9° | 59.9° |
| N10 | C8 | C7 | H6 | 93.5° | 60.0° |
| C8 | N10 | C11 | H22 | 37.6° | 35.0° |
| N10 | C11 | C20 | C12 | 116.6° | 120.0° |
| N10 | C11 | C20 | H22 | 122.5° | 120.0° |
| N10 | C11 | C12 | H22 | 123.0° | 120.0° |
| N10 | C11 | C12 | C13 | 62.3° | 65.0° |
| N10 | C11 | C20 | O21 | 19.6° | 0.0° |
| N10 | C11 | C20 | N22 | 162.3° | 180.0° |
| N10 | C11 | C12 | H23 | 57.8° | 175.0° |
| N10 | C11 | C12 | H24 | 177.5° | 55.0° |
| C20 | C11 | C12 | H22 | 120.9° | 120.0° |
| C20 | C11 | C12 | C13 | 178.4° | 175.0° |
| C11 | C20 | O21 | N22 | 177.9° | 180.0° |
| C11 | C20 | N22 | C23 | 176.0° | 180.0° |
| C20 | C11 | N10 | H21 | 95.6° | 25.0° |
| C20 | C11 | C12 | H23 | 58.2° | 55.0° |
| C20 | C11 | C12 | H24 | 61.5° | 65.0° |
| C11 | C20 | N22 | H28 | 4.0° | 0.1° |
| C11 | C12 | C13 | H23 | 120.2° | 120.0° |
| C11 | C12 | C13 | H24 | 120.1° | 120.1° |
| C11 | C12 | C13 | C14 | 174.4° | 180.0° |
| C12 | C11 | C20 | O21 | 97.1° | 120.0° |
| C12 | C11 | C20 | N22 | 81.0° | 60.0° |
| C11 | C12 | C13 | H7 | 64.8° | 60.0° |
| C11 | C12 | C13 | H8 | 53.7° | 60.1° |
| C12 | C11 | N10 | H21 | 19.8° | 95.0° |
| C11 | C12 | H23 | H24 | 119.6° | 120.0° |
| C12 | C13 | C14 | H7 | 120.7° | 120.0° |
| C12 | C13 | C14 | H8 | 120.7° | 120.0° |
| C12 | C13 | C14 | C19 | 171.6° | 90.0° |
| C12 | C13 | C14 | C15 | 9.7° | 90.0° |
| C12 | C13 | H7 | H8 | 117.8° | 120.1° |
| C13 | C12 | C11 | H22 | 60.7° | 55.0° |
| C13 | C12 | H23 | H24 | 119.6° | 120.0° |
| C13 | C14 | C19 | C15 | 178.8° | 179.9° |
| C13 | C14 | C19 | C18 | 179.4° | 180.0° |
| C13 | C14 | C15 | C16 | 179.2° | 180.0° |
| C14 | C13 | H7 | H8 | 117.8° | 120.0° |
| C13 | C14 | C15 | H9 | 0.8° | 0.3° |
| C14 | C13 | C12 | H23 | 54.3° | 60.0° |
| C14 | C13 | C12 | H24 | 65.4° | 59.9° |
| C13 | C14 | C19 | H27 | 0.7° | 0.0° |
| C27 | C25 | C26 | C24 | 121.7° | 120.0° |
| C27 | C25 | C26 | H30 | 119.5° | 120.0° |
| C27 | C25 | C24 | H30 | 120.4° | 120.1° |
| C27 | C25 | C24 | C23 | 63.7° | 65.0° |
| C27 | C25 | C24 | H11 | 56.6° | 175.0° |
| C27 | C25 | C24 | H12 | 176.0° | 54.9° |
| C27 | C25 | C26 | H13 | 180.0° | 60.0° |
| C27 | C25 | C26 | H14 | 60.0° | 60.0° |
| C27 | C25 | C26 | H15 | 60.0° | 180.0° |
| C25 | C27 | H31 | H32 | 120.0° | 120.0° |
| C25 | C27 | H31 | H33 | 120.0° | 120.0° |
| C25 | C27 | H32 | H33 | 120.0° | 120.1° |
| C14 | C19 | C18 | H27 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.3° | 0.3° |
| C19 | C14 | C15 | C16 | 0.5° | 0.1° |
| C19 | C14 | C13 | H7 | 50.8° | 150.0° |
| C19 | C14 | C13 | H8 | 67.7° | 29.9° |
| C19 | C14 | C15 | H9 | 179.5° | 179.7° |
| C14 | C19 | C18 | H26 | 179.8° | 179.7° |
| C18 | C19 | C14 | C15 | 0.6° | 0.1° |
| C19 | C18 | C17 | H26 | 180.0° | 179.4° |
| C19 | C18 | C17 | C16 | 0.1° | 0.6° |
| C19 | C18 | C17 | H10 | 179.9° | 180.0° |
| O21 | C20 | N22 | C23 | 2.0° | 0.0° |
| O21 | C20 | C11 | H22 | 142.1° | 120.0° |
| O21 | C20 | N22 | H28 | 178.0° | 179.9° |
| C20 | N22 | C23 | H28 | 180.0° | 179.9° |
| C20 | N22 | C23 | C24 | 148.9° | 85.0° |
| C20 | N22 | C23 | C28 | 91.5° | 155.0° |
| N22 | C20 | C11 | H22 | 39.8° | 60.0° |
| C20 | N22 | C23 | H29 | 26.9° | 34.9° |
| C26 | C25 | C24 | H30 | 118.9° | 119.9° |
| C26 | C25 | C24 | C23 | 175.5° | 175.0° |
| C26 | C25 | C24 | H11 | 64.2° | 55.0° |
| C26 | C25 | C24 | H12 | 55.2° | 65.1° |
| C25 | C26 | H13 | H14 | 120.0° | 120.0° |
| C25 | C26 | H13 | H15 | 120.0° | 120.0° |
| C25 | C26 | H14 | H15 | 120.0° | 120.0° |
| C26 | C25 | C27 | H31 | 180.0° | 180.0° |
| C26 | C25 | C27 | H32 | 60.0° | 60.0° |
| C26 | C25 | C27 | H33 | 60.0° | 60.0° |
| C25 | C24 | C23 | N22 | 66.6° | 65.0° |
| C25 | C24 | C23 | H11 | 120.3° | 120.0° |
| C25 | C24 | C23 | H12 | 120.3° | 120.0° |
| C25 | C24 | C23 | C28 | 175.5° | 175.0° |
| C25 | C24 | H11 | H12 | 119.1° | 120.0° |
| C24 | C25 | C26 | H13 | 58.4° | 60.0° |
| C24 | C25 | C26 | H14 | 61.7° | 180.0° |
| C24 | C25 | C26 | H15 | 178.3° | 60.0° |
| C25 | C24 | C23 | H29 | 55.9° | 54.9° |
| C24 | C25 | C27 | H31 | 59.8° | 60.0° |
| C24 | C25 | C27 | H32 | 179.9° | 180.0° |
| C24 | C25 | C27 | H33 | 60.1° | 59.9° |
| C14 | C15 | C16 | H9 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C15 | C14 | C13 | H7 | 130.4° | 29.9° |
| C15 | C14 | C13 | H8 | 111.0° | 150.0° |
| C14 | C15 | C16 | H25 | 179.8° | 179.7° |
| C15 | C14 | C19 | H27 | 179.5° | 180.0° |
| N22 | C23 | C24 | C28 | 117.9° | 120.0° |
| N22 | C23 | C24 | H29 | 122.6° | 120.0° |
| N22 | C23 | C28 | H29 | 119.0° | 120.0° |
| N22 | C23 | C28 | O29 | 35.1° | 0.0° |
| N22 | C23 | C28 | N30 | 142.5° | 180.0° |
| N22 | C23 | C24 | H11 | 173.1° | 55.0° |
| N22 | C23 | C24 | H12 | 53.7° | 175.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.6° |
| C18 | C17 | C16 | H10 | 180.0° | 179.4° |
| C18 | C17 | C16 | H25 | 179.9° | 179.4° |
| C17 | C18 | C19 | H27 | 179.8° | 179.7° |
| C24 | C23 | C28 | H29 | 119.6° | 120.0° |
| C24 | C23 | C28 | O29 | 86.3° | 120.0° |
| C24 | C23 | C28 | N30 | 96.1° | 60.0° |
| C23 | C24 | H11 | H12 | 119.1° | 120.0° |
| C24 | C23 | N22 | H28 | 31.1° | 95.1° |
| C23 | C24 | C25 | H30 | 56.7° | 55.1° |
| C23 | C28 | O29 | N30 | 177.3° | 180.0° |
| C23 | C28 | N30 | C31 | 178.6° | 180.0° |
| C28 | C23 | C24 | H11 | 55.2° | 65.0° |
| C28 | C23 | C24 | H12 | 64.2° | 55.0° |
| C28 | C23 | N22 | H28 | 88.5° | 24.9° |
| C23 | C28 | N30 | H34 | 1.4° | 0.0° |
| C15 | C16 | C17 | H25 | 180.0° | 180.0° |
| C15 | C16 | C17 | H10 | 179.9° | 179.9° |
| C17 | C16 | C15 | H9 | 179.8° | 180.0° |
| C16 | C17 | C18 | H26 | 179.9° | 180.0° |
| C34 | C35 | C36 | H39 | 180.0° | 180.0° |
| C35 | C34 | C33 | H38 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.6° | 0.0° |
| C35 | C34 | C33 | C32 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 0.3° | 0.4° |
| C34 | C35 | C36 | H40 | 179.4° | 179.9° |
| C36 | C35 | C34 | C33 | 0.1° | 0.1° |
| C35 | C36 | C37 | H40 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.7° | 0.2° |
| C36 | C35 | C34 | H38 | 179.9° | 180.0° |
| C35 | C36 | C37 | H41 | 179.3° | 180.0° |
| O29 | C28 | N30 | C31 | 3.9° | 0.0° |
| O29 | C28 | C23 | H29 | 154.1° | 120.0° |
| O29 | C28 | N30 | H34 | 176.1° | 180.0° |
| C28 | N30 | C31 | H34 | 180.0° | 180.0° |
| C28 | N30 | C31 | C32 | 113.3° | 85.0° |
| C28 | N30 | C31 | C39 | 126.5° | 155.0° |
| N30 | C28 | C23 | H29 | 23.5° | 60.0° |
| C28 | N30 | C31 | H35 | 8.2° | 35.0° |
| C34 | C33 | C32 | C38 | 179.7° | 179.6° |
| C34 | C33 | C38 | C37 | 0.2° | 0.6° |
| C34 | C33 | C32 | C31 | 93.3° | 89.7° |
| C34 | C33 | C32 | H36 | 146.7° | 150.3° |
| C34 | C33 | C32 | H37 | 26.8° | 30.4° |
| C33 | C34 | C35 | H39 | 179.9° | 180.0° |
| C34 | C33 | C38 | H42 | 179.8° | 179.7° |
| C36 | C37 | C38 | C33 | 0.3° | 0.5° |
| C36 | C37 | C38 | H41 | 180.0° | 179.8° |
| C37 | C36 | C35 | H39 | 179.4° | 179.9° |
| C36 | C37 | C38 | H42 | 179.7° | 179.8° |
| N30 | C31 | C32 | C33 | 70.9° | 65.0° |
| N30 | C31 | C32 | C39 | 117.8° | 120.0° |
| N30 | C31 | C32 | H35 | 122.0° | 120.0° |
| N30 | C31 | C39 | H35 | 118.9° | 120.0° |
| N30 | C31 | C39 | O40 | 18.5° | 0.0° |
| N30 | C31 | C39 | N41 | 160.8° | 180.0° |
| N30 | C31 | C32 | H36 | 169.1° | 55.1° |
| N30 | C31 | C32 | H37 | 49.2° | 175.0° |
| C32 | C33 | C38 | C37 | 179.9° | 179.8° |
| C33 | C32 | C31 | H36 | 120.1° | 120.0° |
| C33 | C32 | C31 | H37 | 120.1° | 120.0° |
| C33 | C32 | C31 | C39 | 171.3° | 175.0° |
| C33 | C32 | C31 | H35 | 51.1° | 55.0° |
| C33 | C32 | H36 | H37 | 119.8° | 120.0° |
| C32 | C33 | C34 | H38 | 0.0° | 0.1° |
| C32 | C33 | C38 | H42 | 0.1° | 0.1° |
| C33 | C38 | C37 | H42 | 180.0° | 179.7° |
| C38 | C33 | C32 | C31 | 86.5° | 89.9° |
| C38 | C33 | C32 | H36 | 33.6° | 30.1° |
| C38 | C33 | C32 | H37 | 153.5° | 150.0° |
| C38 | C33 | C34 | H38 | 179.7° | 179.7° |
| C33 | C38 | C37 | H41 | 179.7° | 179.7° |
| C38 | C37 | C36 | H40 | 179.3° | 179.8° |
| C32 | C31 | C39 | H35 | 120.2° | 120.0° |
| C32 | C31 | C39 | O40 | 102.5° | 120.0° |
| C32 | C31 | C39 | N41 | 78.3° | 60.0° |
| C32 | C31 | N30 | H34 | 66.7° | 95.0° |
| C31 | C32 | H36 | H37 | 119.7° | 120.0° |
| C31 | C39 | O40 | N41 | 179.1° | 180.0° |
| C31 | C39 | N41 | C42 | 178.9° | 175.5° |
| C39 | C31 | N30 | H34 | 53.5° | 25.0° |
| C39 | C31 | C32 | H36 | 51.3° | 64.9° |
| C39 | C31 | C32 | H37 | 68.6° | 55.0° |
| C31 | C39 | N41 | H43 | 1.1° | 4.5° |
| O40 | C39 | N41 | C42 | 0.3° | 4.5° |
| O40 | C39 | C31 | H35 | 137.3° | 120.0° |
| O40 | C39 | N41 | H43 | 179.7° | 175.5° |
| C39 | N41 | C42 | H43 | 180.0° | 180.0° |
| C39 | N41 | C42 | C43 | 119.9° | 129.7° |
| C39 | N41 | C42 | C47 | 118.8° | 110.3° |
| N41 | C39 | C31 | H35 | 41.9° | 60.0° |
| C39 | N41 | C42 | H44 | 0.9° | 9.7° |
| C45 | C44 | C46 | C43 | 123.3° | 119.9° |
| C45 | C44 | C46 | H47 | 119.4° | 120.0° |
| C45 | C44 | C43 | H47 | 120.2° | 120.0° |
| C45 | C44 | C43 | C42 | 61.2° | 65.0° |
| C45 | C44 | C43 | H45 | 59.6° | 175.0° |
| C45 | C44 | C43 | H46 | 178.1° | 55.0° |
| C45 | C44 | C46 | H48 | 180.0° | 60.0° |
| C45 | C44 | C46 | H49 | 60.0° | 60.0° |
| C45 | C44 | C46 | H50 | 60.0° | 180.0° |
| C44 | C45 | H51 | H52 | 120.0° | 120.1° |
| C44 | C45 | H51 | H53 | 120.0° | 120.0° |
| C44 | C45 | H52 | H53 | 120.0° | 120.0° |
| C59 | C51 | C47 | C42 | 23.7° | 179.4° |
| C59 | C51 | O60 | C47 | 122.8° | 120.0° |
| C59 | C51 | O60 | C58 | 109.3° | 120.0° |
| C59 | C51 | C47 | C58 | 118.5° | 120.0° |
| C59 | C51 | C47 | O48 | 141.3° | 59.4° |
| C59 | C51 | C47 | H54 | 98.2° | 60.6° |
| C59 | C51 | C58 | H56 | 180.0° | 57.7° |
| C59 | C51 | C58 | H57 | 60.0° | 62.3° |
| C59 | C51 | C58 | H58 | 60.0° | 177.7° |
| C51 | C59 | H59 | H60 | 120.0° | 120.0° |
| C51 | C59 | H59 | H61 | 120.0° | 120.1° |
| C51 | C59 | H60 | H61 | 120.0° | 119.9° |
| C59 | C51 | O60 | H62 | 180.0° | 63.4° |
| N41 | C42 | C43 | C44 | 54.7° | 65.6° |
| N41 | C42 | C43 | C47 | 120.6° | 120.0° |
| N41 | C42 | C43 | H44 | 119.6° | 120.0° |
| N41 | C42 | C47 | H44 | 120.4° | 120.1° |
| N41 | C42 | C47 | C51 | 65.5° | 62.5° |
| N41 | C42 | C47 | O48 | 54.5° | 57.5° |
| N41 | C42 | C43 | H45 | 175.4° | 54.4° |
| N41 | C42 | C43 | H46 | 66.1° | 174.4° |
| N41 | C42 | C47 | H54 | 173.0° | 177.5° |
| C46 | C44 | C43 | H47 | 117.4° | 120.1° |
| C46 | C44 | C43 | C42 | 176.5° | 175.0° |
| C46 | C44 | C43 | H45 | 62.8° | 55.1° |
| C46 | C44 | C43 | H46 | 55.7° | 65.0° |
| C44 | C46 | H48 | H49 | 120.0° | 120.0° |
| C44 | C46 | H48 | H50 | 120.0° | 120.1° |
| C44 | C46 | H49 | H50 | 120.0° | 120.0° |
| C46 | C44 | C45 | H51 | 180.0° | 59.9° |
| C46 | C44 | C45 | H52 | 60.0° | 180.0° |
| C46 | C44 | C45 | H53 | 60.0° | 60.1° |
| C44 | C43 | C42 | H45 | 120.8° | 119.9° |
| C44 | C43 | C42 | H46 | 120.8° | 120.0° |
| C44 | C43 | C42 | C47 | 175.3° | 174.4° |
| C44 | C43 | C42 | H44 | 64.9° | 54.5° |
| C44 | C43 | H45 | H46 | 117.6° | 120.0° |
| C43 | C44 | C46 | H48 | 56.7° | 59.9° |
| C43 | C44 | C46 | H49 | 63.2° | 180.0° |
| C43 | C44 | C46 | H50 | 176.8° | 60.1° |
| C43 | C44 | C45 | H51 | 59.6° | 60.0° |
| C43 | C44 | C45 | H52 | 179.6° | 60.1° |
| C43 | C44 | C45 | H53 | 60.4° | 180.0° |
| C43 | C42 | C47 | H44 | 119.9° | 119.9° |
| C43 | C42 | C47 | C51 | 174.8° | 177.5° |
| C43 | C42 | C47 | O48 | 65.2° | 62.5° |
| C43 | C42 | N41 | H43 | 60.1° | 50.3° |
| C42 | C43 | H45 | H46 | 117.7° | 120.0° |
| C42 | C43 | C44 | H47 | 59.1° | 55.0° |
| C43 | C42 | C47 | H54 | 53.3° | 57.5° |
| C42 | C47 | C51 | O60 | 92.9° | 59.4° |
| C42 | C47 | C51 | O48 | 117.7° | 119.9° |
| C42 | C47 | C51 | H54 | 121.8° | 120.0° |
| C42 | C47 | C51 | C58 | 142.2° | 60.6° |
| C42 | C47 | O48 | H54 | 117.4° | 120.0° |
| C47 | C42 | N41 | H43 | 61.2° | 69.7° |
| C47 | C42 | C43 | H45 | 63.9° | 65.7° |
| C47 | C42 | C43 | H46 | 54.6° | 54.4° |
| C42 | C47 | O48 | H55 | 180.0° | 60.0° |
| O60 | C51 | C47 | C58 | 124.9° | 120.0° |
| O60 | C51 | C47 | O48 | 24.8° | 60.6° |
| O60 | C51 | C47 | H54 | 145.3° | 179.4° |
| O60 | C51 | C58 | H56 | 67.5° | 177.7° |
| O60 | C51 | C58 | H57 | 52.4° | 57.7° |
| O60 | C51 | C58 | H58 | 172.5° | 62.3° |
| O60 | C51 | C59 | H59 | 180.0° | 60.0° |
| O60 | C51 | C59 | H60 | 60.0° | 60.0° |
| O60 | C51 | C59 | H61 | 60.0° | 179.9° |
| C51 | C47 | O48 | H54 | 119.1° | 120.1° |
| C51 | C47 | C42 | H44 | 54.9° | 57.6° |
| C51 | C47 | O48 | H55 | 56.4° | 180.0° |
| C47 | C51 | C58 | H56 | 53.9° | 62.3° |
| C47 | C51 | C58 | H57 | 173.9° | 177.7° |
| C47 | C51 | C58 | H58 | 66.0° | 57.8° |
| C47 | C51 | C59 | H59 | 63.8° | 60.1° |
| C47 | C51 | C59 | H60 | 176.2° | 180.0° |
| C47 | C51 | C59 | H61 | 56.2° | 60.1° |
| C47 | C51 | O60 | H62 | 57.2° | 56.6° |
| C58 | C51 | C47 | O48 | 100.1° | 179.4° |
| C58 | C51 | C47 | H54 | 20.4° | 59.4° |
| C51 | C58 | H56 | H57 | 120.0° | 120.0° |
| C51 | C58 | H56 | H58 | 120.0° | 120.0° |
| C51 | C58 | H57 | H58 | 120.0° | 120.0° |
| C58 | C51 | C59 | H59 | 63.1° | 180.0° |
| C58 | C51 | C59 | H60 | 56.9° | 60.0° |
| C58 | C51 | C59 | H61 | 176.9° | 59.9° |
| C58 | C51 | O60 | H62 | 70.7° | 176.6° |
| O48 | C47 | C42 | H44 | 174.9° | 177.5° |
| H1 | C5 | C6 | H3 | 57.4° | 63.3° |
| H1 | C5 | C6 | H4 | 62.3° | 56.8° |
| H2 | C5 | C6 | H3 | 177.6° | 56.7° |
| H2 | C5 | C6 | H4 | 57.8° | 176.8° |
| H7 | C13 | C12 | H23 | 175.0° | 60.0° |
| H7 | C13 | C12 | H24 | 55.3° | 179.9° |
| H8 | C13 | C12 | H23 | 66.5° | 180.0° |
| H8 | C13 | C12 | H24 | 173.8° | 60.0° |
| H9 | C15 | C16 | H25 | 0.3° | 0.0° |
| H10 | C17 | C16 | H25 | 0.1° | 0.0° |
| H10 | C17 | C18 | H26 | 0.1° | 0.7° |
| H11 | C24 | C23 | H29 | 64.3° | 175.0° |
| H11 | C24 | C25 | H30 | 176.9° | 65.0° |
| H12 | C24 | C23 | H29 | 176.2° | 65.0° |
| H12 | C24 | C25 | H30 | 63.6° | 175.0° |
| H13 | C26 | H14 | H15 | 120.0° | 120.0° |
| H13 | C26 | C25 | H30 | 60.5° | 180.0° |
| H14 | C26 | C25 | H30 | 179.5° | 60.0° |
| H15 | C26 | C25 | H30 | 59.5° | 60.0° |
| H16 | C2 | C3 | H18 | 56.3° | 56.9° |
| H16 | C2 | C3 | H19 | 63.6° | 63.2° |
| H17 | C2 | C3 | H18 | 176.5° | 177.0° |
| H17 | C2 | C3 | H19 | 56.6° | 56.8° |
| H21 | N10 | C11 | H22 | 142.4° | 145.0° |
| H22 | C11 | C12 | H23 | 179.1° | 65.0° |
| H22 | C11 | C12 | H24 | 59.4° | 175.0° |
| H26 | C18 | C19 | H27 | 0.2° | 0.3° |
| H28 | N22 | C23 | H29 | 153.1° | 145.0° |
| H30 | C25 | C27 | H31 | 60.6° | 60.0° |
| H30 | C25 | C27 | H32 | 59.5° | 60.0° |
| H30 | C25 | C27 | H33 | 179.5° | 180.0° |
| H31 | C27 | H32 | H33 | 119.9° | 119.9° |
| H34 | N30 | C31 | H35 | 171.8° | 145.0° |
| H35 | C31 | C32 | H36 | 69.0° | 175.0° |
| H35 | C31 | C32 | H37 | 171.2° | 65.1° |
| H38 | C34 | C35 | H39 | 0.1° | 0.0° |
| H39 | C35 | C36 | H40 | 0.6° | 0.1° |
| H40 | C36 | C37 | H41 | 0.7° | 0.0° |
| H41 | C37 | C38 | H42 | 0.3° | 0.0° |
| H43 | N41 | C42 | H44 | 179.2° | 170.3° |
| H44 | C42 | C43 | H45 | 55.9° | 174.4° |
| H44 | C42 | C43 | H46 | 174.3° | 65.5° |
| H44 | C42 | C47 | H54 | 66.6° | 62.5° |
| H45 | C43 | C44 | H47 | 179.8° | 65.0° |
| H46 | C43 | C44 | H47 | 61.7° | 175.0° |
| H47 | C44 | C46 | H48 | 60.7° | 180.0° |
| H47 | C44 | C46 | H49 | 179.4° | 60.0° |
| H47 | C44 | C46 | H50 | 59.4° | 60.0° |
| H47 | C44 | C45 | H51 | 60.6° | 180.0° |
| H47 | C44 | C45 | H52 | 59.4° | 60.0° |
| H47 | C44 | C45 | H53 | 179.3° | 60.0° |
| H48 | C46 | H49 | H50 | 120.0° | 119.9° |
| H51 | C45 | H52 | H53 | 119.9° | 119.9° |
| H54 | C47 | O48 | H55 | 62.6° | 60.0° |
| H56 | C58 | H57 | H58 | 120.0° | 120.0° |
| H59 | C59 | H60 | H61 | 120.0° | 120.1° |
