GGX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.44Å | |
| N1 | C20 | sing | 1.35Å | 1.36Å | |
| N1 | C23 | sing | 1.39Å | 1.37Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | C9 | sing | 1.53Å | 1.52Å | |
| C3 | N4 | sing | 1.35Å | 1.39Å | |
| C3 | O10 | doub | 1.21Å | 1.22Å | |
| N4 | C5 | sing | 1.47Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C11 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | O54 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C26 | sing | 1.53Å | 1.51Å | |
| C8 | N28 | sing | 1.46Å | 1.46Å | |
| C9 | C12 | sing | 1.53Å | 1.50Å | |
| C9 | C13 | sing | 1.53Å | 1.49Å | |
| C9 | C53 | sing | 1.53Å | 1.50Å | |
| C11 | C19 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | N21 | sing | 1.35Å | 1.38Å | |
| C20 | O27 | doub | 1.22Å | 1.23Å | |
| N21 | C22 | sing | 1.39Å | 1.35Å | |
| N21 | C24 | sing | 1.46Å | 1.42Å | |
| C22 | C23 | doub | 1.33Å | 1.34Å | |
| C24 | C25 | sing | 1.51Å | 1.46Å | |
| C25 | N47 | doub | 1.32Å | 1.33Å | Aromatic |
| C25 | C51 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C29 | sing | 1.51Å | 1.49Å | |
| N28 | C30 | sing | 1.35Å | 1.38Å | |
| C29 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | O31 | doub | 1.21Å | 1.22Å | |
| C30 | C32 | sing | 1.51Å | 1.50Å | |
| C32 | N33 | sing | 1.46Å | 1.44Å | |
| C32 | C37 | sing | 1.53Å | 1.51Å | |
| N33 | C34 | sing | 1.35Å | 1.38Å | |
| C34 | O35 | sing | 1.35Å | 1.33Å | |
| C34 | O41 | doub | 1.22Å | 1.23Å | |
| O35 | C36 | sing | 1.45Å | 1.41Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | C39 | sing | 1.53Å | 1.51Å | |
| C37 | C40 | sing | 1.53Å | 1.51Å | |
| C42 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | C44 | doub | 1.39Å | 1.38Å | Aromatic |
| C44 | C45 | sing | 1.39Å | 1.38Å | Aromatic |
| C44 | C55 | sing | 1.48Å | 1.44Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.38Å | Aromatic |
| N47 | C48 | sing | 1.32Å | 1.33Å | Aromatic |
| C48 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
| C48 | C52 | sing | 1.51Å | 1.50Å | |
| C49 | C50 | sing | 1.39Å | 1.38Å | Aromatic |
| C50 | C51 | doub | 1.39Å | 1.38Å | Aromatic |
| C55 | N56 | doub | 1.33Å | 1.35Å | Aromatic |
| C55 | C60 | sing | 1.39Å | 1.39Å | Aromatic |
| N56 | C57 | sing | 1.32Å | 1.34Å | Aromatic |
| C57 | C58 | doub | 1.38Å | 1.38Å | Aromatic |
| C58 | C59 | sing | 1.39Å | 1.38Å | Aromatic |
| C59 | C60 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C52 | H52B | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C53 | H53B | sing | 1.09Å | 1.10Å | |
| O54 | HO54 | sing | 0.97Å | 0.95Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| C59 | H59 | sing | 1.08Å | 1.08Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C20 | 121.9° | 126.0° |
| C2 | N1 | C23 | 126.7° | 125.9° |
| N1 | C2 | C3 | 103.8° | 109.5° |
| N1 | C2 | C9 | 113.0° | 109.5° |
| N1 | C2 | H2 | 111.9° | 109.5° |
| C20 | N1 | C23 | 111.4° | 108.1° |
| N1 | C20 | N21 | 102.4° | 108.1° |
| N1 | C20 | O27 | 125.8° | 125.9° |
| N1 | C23 | C22 | 107.3° | 107.9° |
| N1 | C23 | H23 | 126.4° | 126.1° |
| C3 | C2 | C9 | 111.9° | 109.5° |
| C2 | C3 | N4 | 111.1° | 120.0° |
| C2 | C3 | O10 | 122.1° | 120.0° |
| C3 | C2 | H2 | 112.9° | 109.5° |
| C2 | C9 | C12 | 107.7° | 109.5° |
| C2 | C9 | C13 | 114.0° | 109.5° |
| C2 | C9 | C53 | 112.6° | 109.5° |
| C9 | C2 | H2 | 103.7° | 109.4° |
| N4 | C3 | O10 | 126.8° | 120.0° |
| C3 | N4 | C5 | 122.3° | 120.0° |
| C3 | N4 | HN4 | 118.8° | 120.0° |
| N4 | C5 | C6 | 114.3° | 109.5° |
| N4 | C5 | C11 | 105.8° | 109.5° |
| C5 | N4 | HN4 | 118.9° | 120.0° |
| N4 | C5 | H5 | 110.3° | 109.5° |
| C6 | C5 | C11 | 113.6° | 109.5° |
| C5 | C6 | C7 | 112.9° | 109.5° |
| C5 | C6 | O54 | 110.7° | 109.5° |
| C6 | C5 | H5 | 101.9° | 109.5° |
| C5 | C6 | H6 | 105.6° | 109.5° |
| C5 | C11 | C19 | 107.7° | 109.4° |
| C11 | C5 | H5 | 111.0° | 109.5° |
| C5 | C11 | H11 | 110.1° | 109.5° |
| C5 | C11 | H11A | 110.4° | 109.4° |
| C7 | C6 | O54 | 107.4° | 109.4° |
| C6 | C7 | C8 | 116.4° | 109.5° |
| C7 | C6 | H6 | 109.0° | 109.5° |
| C6 | C7 | H7 | 107.2° | 109.5° |
| C6 | C7 | H7A | 105.6° | 109.5° |
| O54 | C6 | H6 | 111.3° | 109.4° |
| C6 | O54 | HO54 | 109.5° | 114.0° |
| C7 | C8 | C26 | 104.9° | 109.5° |
| C7 | C8 | N28 | 114.7° | 109.5° |
| C8 | C7 | H7 | 107.2° | 109.5° |
| C8 | C7 | H7A | 105.6° | 109.4° |
| C7 | C8 | H8 | 110.0° | 109.4° |
| C26 | C8 | N28 | 112.0° | 109.5° |
| C8 | C26 | C29 | 116.5° | 109.5° |
| C26 | C8 | H8 | 112.8° | 109.5° |
| C8 | C26 | H26 | 107.2° | 109.4° |
| C8 | C26 | H26A | 105.6° | 109.5° |
| C8 | N28 | C30 | 122.9° | 120.0° |
| N28 | C8 | H8 | 102.6° | 109.5° |
| C8 | N28 | HN28 | 118.6° | 120.0° |
| C12 | C9 | C13 | 104.9° | 109.4° |
| C12 | C9 | C53 | 108.7° | 109.4° |
| C9 | C12 | H12 | 109.5° | 109.4° |
| C9 | C12 | H12A | 109.5° | 109.5° |
| C9 | C12 | H12B | 109.5° | 109.5° |
| C13 | C9 | C53 | 108.6° | 109.5° |
| C9 | C13 | H13 | 109.5° | 109.4° |
| C9 | C13 | H13A | 109.5° | 109.5° |
| C9 | C13 | H13B | 109.4° | 109.5° |
| C9 | C53 | H53 | 109.5° | 109.5° |
| C9 | C53 | H53A | 109.5° | 109.5° |
| C9 | C53 | H53B | 109.5° | 109.5° |
| C11 | C19 | C14 | 121.1° | 120.0° |
| C11 | C19 | C18 | 120.0° | 120.0° |
| C19 | C11 | H11 | 110.1° | 109.5° |
| C19 | C11 | H11A | 110.5° | 109.5° |
| C15 | C14 | C19 | 121.6° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C15 | C14 | H14 | 119.2° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C14 | C19 | C18 | 119.0° | 120.0° |
| C19 | C14 | H14 | 119.2° | 120.0° |
| C15 | C16 | C17 | 117.9° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 121.0° | 120.0° |
| C16 | C17 | C18 | 122.9° | 120.0° |
| C17 | C16 | H16 | 121.1° | 120.0° |
| C16 | C17 | H17 | 118.6° | 120.0° |
| C17 | C18 | C19 | 118.7° | 120.0° |
| C18 | C17 | H17 | 118.5° | 120.0° |
| C17 | C18 | H18 | 120.6° | 120.0° |
| C19 | C18 | H18 | 120.6° | 120.0° |
| N21 | C20 | O27 | 131.8° | 125.9° |
| C20 | N21 | C22 | 111.8° | 108.1° |
| C20 | N21 | C24 | 125.4° | 126.0° |
| C22 | N21 | C24 | 122.8° | 125.9° |
| N21 | C22 | C23 | 107.2° | 107.9° |
| N21 | C22 | H22 | 126.4° | 126.1° |
| N21 | C24 | C25 | 108.4° | 109.4° |
| N21 | C24 | H24 | 109.8° | 109.5° |
| N21 | C24 | H24A | 110.1° | 109.5° |
| C23 | C22 | H22 | 126.4° | 126.1° |
| C22 | C23 | H23 | 126.4° | 126.0° |
| C24 | C25 | N47 | 115.5° | 119.7° |
| C24 | C25 | C51 | 119.3° | 119.6° |
| C25 | C24 | H24 | 109.8° | 109.5° |
| C25 | C24 | H24A | 110.1° | 109.4° |
| N47 | C25 | C51 | 125.2° | 120.7° |
| C25 | N47 | C48 | 115.9° | 121.7° |
| C25 | C51 | C50 | 117.8° | 119.2° |
| C25 | C51 | H51 | 121.1° | 120.4° |
| C26 | C29 | C42 | 121.0° | 119.9° |
| C26 | C29 | C46 | 119.7° | 119.8° |
| C29 | C26 | H26 | 107.2° | 109.5° |
| C29 | C26 | H26A | 105.6° | 109.5° |
| N28 | C30 | O31 | 124.9° | 120.0° |
| N28 | C30 | C32 | 112.9° | 120.0° |
| C30 | N28 | HN28 | 118.5° | 120.0° |
| C42 | C29 | C46 | 119.3° | 120.3° |
| C29 | C42 | C43 | 119.8° | 120.1° |
| C29 | C42 | H42 | 120.1° | 119.9° |
| C29 | C46 | C45 | 121.0° | 120.1° |
| C29 | C46 | H46 | 119.5° | 120.0° |
| O31 | C30 | C32 | 122.1° | 120.0° |
| C30 | C32 | N33 | 104.8° | 109.5° |
| C30 | C32 | C37 | 111.5° | 109.5° |
| C30 | C32 | H32 | 110.3° | 109.5° |
| N33 | C32 | C37 | 106.6° | 109.5° |
| C32 | N33 | C34 | 115.7° | 120.0° |
| N33 | C32 | H32 | 115.0° | 109.4° |
| C32 | N33 | HN33 | 122.1° | 120.0° |
| C32 | C37 | C38 | 109.7° | 109.5° |
| C32 | C37 | C39 | 113.4° | 109.4° |
| C32 | C37 | C40 | 108.7° | 109.4° |
| C37 | C32 | H32 | 108.6° | 109.5° |
| N33 | C34 | O35 | 113.2° | 120.0° |
| N33 | C34 | O41 | 127.1° | 120.0° |
| C34 | N33 | HN33 | 122.1° | 120.0° |
| O35 | C34 | O41 | 119.6° | 120.0° |
| C34 | O35 | C36 | 103.2° | 117.0° |
| O35 | C36 | H36 | 109.5° | 109.5° |
| O35 | C36 | H36A | 109.5° | 109.5° |
| O35 | C36 | H36B | 109.5° | 109.5° |
| C38 | C37 | C39 | 108.2° | 109.5° |
| C38 | C37 | C40 | 109.3° | 109.5° |
| C37 | C38 | H38 | 109.5° | 109.5° |
| C37 | C38 | H38A | 109.5° | 109.5° |
| C37 | C38 | H38B | 109.4° | 109.5° |
| C39 | C37 | C40 | 107.4° | 109.5° |
| C37 | C39 | H39 | 109.5° | 109.5° |
| C37 | C39 | H39A | 109.5° | 109.4° |
| C37 | C39 | H39B | 109.5° | 109.5° |
| C37 | C40 | H40 | 109.5° | 109.5° |
| C37 | C40 | H40A | 109.5° | 109.4° |
| C37 | C40 | H40B | 109.4° | 109.5° |
| C42 | C43 | C44 | 120.9° | 119.9° |
| C43 | C42 | H42 | 120.1° | 120.0° |
| C42 | C43 | H43 | 119.5° | 120.0° |
| C43 | C44 | C45 | 119.5° | 119.8° |
| C43 | C44 | C55 | 119.0° | 120.1° |
| C44 | C43 | H43 | 119.5° | 120.1° |
| C45 | C44 | C55 | 121.5° | 120.1° |
| C44 | C45 | C46 | 119.5° | 119.8° |
| C44 | C45 | H45 | 120.3° | 120.0° |
| C44 | C55 | N56 | 115.5° | 119.7° |
| C44 | C55 | C60 | 119.8° | 119.7° |
| C46 | C45 | H45 | 120.2° | 120.1° |
| C45 | C46 | H46 | 119.5° | 119.9° |
| N47 | C48 | C49 | 123.5° | 120.8° |
| N47 | C48 | C52 | 115.7° | 119.6° |
| C49 | C48 | C52 | 120.8° | 119.6° |
| C48 | C49 | C50 | 118.9° | 119.2° |
| C48 | C49 | H49 | 120.5° | 120.5° |
| C48 | C52 | H52 | 109.5° | 109.4° |
| C48 | C52 | H52A | 109.5° | 109.5° |
| C48 | C52 | H52B | 109.4° | 109.5° |
| C49 | C50 | C51 | 118.7° | 118.4° |
| C50 | C49 | H49 | 120.6° | 120.4° |
| C49 | C50 | H50 | 120.6° | 120.8° |
| C51 | C50 | H50 | 120.7° | 120.8° |
| C50 | C51 | H51 | 121.1° | 120.4° |
| N56 | C55 | C60 | 124.7° | 120.6° |
| C55 | N56 | C57 | 116.1° | 121.6° |
| C55 | C60 | C59 | 117.9° | 119.0° |
| C55 | C60 | H60 | 121.0° | 120.5° |
| N56 | C57 | C58 | 122.9° | 120.9° |
| N56 | C57 | H57 | 118.6° | 119.5° |
| C57 | C58 | C59 | 120.0° | 119.4° |
| C58 | C57 | H57 | 118.5° | 119.6° |
| C57 | C58 | H58 | 120.0° | 120.3° |
| C58 | C59 | C60 | 118.4° | 118.5° |
| C59 | C58 | H58 | 120.0° | 120.3° |
| C58 | C59 | H59 | 120.8° | 120.8° |
| C60 | C59 | H59 | 120.8° | 120.7° |
| C59 | C60 | H60 | 121.1° | 120.5° |
| H7 | C7 | H7A | 115.1° | 109.5° |
| H11 | C11 | H11A | 108.1° | 109.5° |
| H12 | C12 | H12A | 109.4° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| H24 | C24 | H24A | 108.6° | 109.5° |
| H26 | C26 | H26A | 115.1° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| H36 | C36 | H36B | 109.4° | 109.4° |
| H36A | C36 | H36B | 109.5° | 109.4° |
| H38 | C38 | H38A | 109.4° | 109.4° |
| H38 | C38 | H38B | 109.5° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H39 | C39 | H39A | 109.5° | 109.5° |
| H39 | C39 | H39B | 109.4° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.4° |
| H40 | C40 | H40A | 109.4° | 109.4° |
| H40 | C40 | H40B | 109.4° | 109.5° |
| H40A | C40 | H40B | 109.5° | 109.5° |
| H52 | C52 | H52A | 109.5° | 109.4° |
| H52 | C52 | H52B | 109.4° | 109.5° |
| H52A | C52 | H52B | 109.5° | 109.5° |
| H53 | C53 | H53A | 109.5° | 109.5° |
| H53 | C53 | H53B | 109.5° | 109.4° |
| H53A | C53 | H53B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C20 | C23 | 179.9° | 179.7° |
| N1 | C2 | C3 | C9 | 122.1° | 120.0° |
| N1 | C2 | C3 | H2 | 121.3° | 120.0° |
| N1 | C2 | C9 | H2 | 121.3° | 120.0° |
| N1 | C2 | C3 | N4 | 99.4° | 172.9° |
| N1 | C2 | C3 | O10 | 81.4° | 7.1° |
| N1 | C2 | C9 | C12 | 101.9° | 66.7° |
| N1 | C2 | C9 | C13 | 14.0° | 173.3° |
| N1 | C2 | C9 | C53 | 138.3° | 53.3° |
| C2 | N1 | C20 | N21 | 179.8° | 180.0° |
| C2 | N1 | C20 | O27 | 0.2° | 0.1° |
| C2 | N1 | C23 | C22 | 179.6° | 179.9° |
| C2 | N1 | C23 | H23 | 0.4° | 0.0° |
| C20 | N1 | C2 | C3 | 142.4° | 125.0° |
| C20 | N1 | C2 | C9 | 96.2° | 115.0° |
| N1 | C20 | N21 | O27 | 179.9° | 180.0° |
| N1 | C20 | N21 | C22 | 0.0° | 0.0° |
| N1 | C20 | N21 | C24 | 179.3° | 179.9° |
| C20 | N1 | C23 | C22 | 0.5° | 0.4° |
| C20 | N1 | C2 | H2 | 20.4° | 5.0° |
| C20 | N1 | C23 | H23 | 179.5° | 179.7° |
| C23 | N1 | C2 | C3 | 37.5° | 54.6° |
| C23 | N1 | C2 | C9 | 83.8° | 65.4° |
| C23 | N1 | C20 | N21 | 0.3° | 0.3° |
| C23 | N1 | C20 | O27 | 179.8° | 179.8° |
| N1 | C23 | C22 | N21 | 0.4° | 0.4° |
| N1 | C23 | C22 | H23 | 180.0° | 179.9° |
| C23 | N1 | C2 | H2 | 159.6° | 174.7° |
| N1 | C23 | C22 | H22 | 179.6° | 179.8° |
| C3 | C2 | C9 | H2 | 122.0° | 120.0° |
| C2 | C3 | N4 | O10 | 179.2° | 179.9° |
| C2 | C3 | N4 | C5 | 176.8° | 177.1° |
| C3 | C2 | C9 | C12 | 141.5° | 53.3° |
| C3 | C2 | C9 | C13 | 102.6° | 66.7° |
| C3 | C2 | C9 | C53 | 21.7° | 173.3° |
| C2 | C3 | N4 | HN4 | 3.2° | 3.0° |
| C9 | C2 | C3 | N4 | 138.5° | 67.1° |
| C9 | C2 | C3 | O10 | 40.7° | 112.9° |
| C2 | C9 | C12 | C13 | 121.8° | 120.0° |
| C2 | C9 | C12 | C53 | 122.3° | 120.0° |
| C2 | C9 | C13 | C53 | 126.4° | 120.1° |
| C2 | C9 | C12 | H12 | 38.2° | 54.2° |
| C2 | C9 | C12 | H12A | 158.2° | 174.2° |
| C2 | C9 | C12 | H12B | 81.8° | 65.8° |
| C2 | C9 | C13 | H13 | 109.7° | 63.8° |
| C2 | C9 | C13 | H13A | 130.3° | 176.2° |
| C2 | C9 | C13 | H13B | 10.3° | 56.2° |
| C2 | C9 | C53 | H53 | 122.5° | 60.0° |
| C2 | C9 | C53 | H53A | 117.5° | 180.0° |
| C2 | C9 | C53 | H53B | 2.5° | 60.0° |
| C3 | N4 | C5 | HN4 | 180.0° | 179.9° |
| C3 | N4 | C5 | C6 | 108.3° | 155.0° |
| C3 | N4 | C5 | C11 | 125.9° | 85.0° |
| N4 | C3 | C2 | H2 | 21.9° | 52.9° |
| C3 | N4 | C5 | H5 | 5.8° | 35.0° |
| O10 | C3 | N4 | C5 | 2.4° | 2.8° |
| O10 | C3 | C2 | H2 | 157.3° | 127.1° |
| O10 | C3 | N4 | HN4 | 177.6° | 177.1° |
| N4 | C5 | C6 | C11 | 121.6° | 120.0° |
| N4 | C5 | C6 | H5 | 118.9° | 120.0° |
| N4 | C5 | C11 | H5 | 119.7° | 120.0° |
| N4 | C5 | C6 | C7 | 61.9° | 60.0° |
| N4 | C5 | C6 | O54 | 58.6° | 60.0° |
| N4 | C5 | C11 | C19 | 63.9° | 65.0° |
| N4 | C5 | C6 | H6 | 179.1° | 180.0° |
| N4 | C5 | C11 | H11 | 56.1° | 55.0° |
| N4 | C5 | C11 | H11A | 175.4° | 175.0° |
| C6 | C5 | C11 | H5 | 114.2° | 120.0° |
| C5 | C6 | C7 | O54 | 122.3° | 120.0° |
| C5 | C6 | C7 | H6 | 117.0° | 120.1° |
| C5 | C6 | O54 | H6 | 117.1° | 120.0° |
| C5 | C6 | C7 | C8 | 160.7° | 175.0° |
| C6 | C5 | C11 | C19 | 170.0° | 175.0° |
| C6 | C5 | N4 | HN4 | 71.7° | 25.1° |
| C5 | C6 | C7 | H7 | 79.3° | 65.0° |
| C5 | C6 | C7 | H7A | 43.9° | 55.0° |
| C6 | C5 | C11 | H11 | 70.0° | 65.0° |
| C6 | C5 | C11 | H11A | 49.3° | 55.0° |
| C5 | C6 | O54 | HO54 | 38.6° | 60.0° |
| C11 | C5 | C6 | C7 | 176.6° | 180.0° |
| C11 | C5 | C6 | O54 | 62.9° | 60.0° |
| C5 | C11 | C19 | H11 | 120.0° | 120.0° |
| C5 | C11 | C19 | H11A | 120.7° | 120.0° |
| C5 | C11 | C19 | C14 | 105.8° | 90.0° |
| C5 | C11 | C19 | C18 | 73.5° | 90.0° |
| C11 | C5 | N4 | HN4 | 54.1° | 94.9° |
| C11 | C5 | C6 | H6 | 57.6° | 60.0° |
| C5 | C11 | H11 | H11A | 120.7° | 120.0° |
| C7 | C6 | O54 | H6 | 119.2° | 120.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 116.8° | 120.0° |
| C6 | C7 | C8 | C26 | 166.2° | 175.0° |
| C6 | C7 | C8 | N28 | 42.9° | 65.0° |
| C7 | C6 | C5 | H5 | 57.1° | 60.0° |
| C6 | C7 | H7 | H7A | 117.1° | 120.0° |
| C6 | C7 | C8 | H8 | 72.2° | 55.0° |
| C7 | C6 | O54 | HO54 | 85.1° | 60.1° |
| O54 | C6 | C7 | C8 | 77.0° | 65.0° |
| O54 | C6 | C5 | H5 | 177.6° | 180.0° |
| O54 | C6 | C7 | H7 | 43.0° | 55.0° |
| O54 | C6 | C7 | H7A | 166.2° | 175.0° |
| C7 | C8 | C26 | N28 | 125.1° | 120.0° |
| C7 | C8 | C26 | H8 | 119.8° | 120.0° |
| C7 | C8 | N28 | H8 | 119.3° | 120.0° |
| C7 | C8 | C26 | C29 | 159.8° | 175.0° |
| C7 | C8 | N28 | C30 | 51.9° | 60.1° |
| C8 | C7 | C6 | H6 | 43.7° | 54.9° |
| C8 | C7 | H7 | H7A | 117.1° | 119.9° |
| C7 | C8 | C26 | H26 | 80.2° | 55.0° |
| C7 | C8 | C26 | H26A | 43.0° | 65.0° |
| C7 | C8 | N28 | HN28 | 128.1° | 120.0° |
| C26 | C8 | N28 | H8 | 121.3° | 120.0° |
| C8 | C26 | C29 | H26 | 120.0° | 120.0° |
| C8 | C26 | C29 | H26A | 116.8° | 120.0° |
| C26 | C8 | N28 | C30 | 67.6° | 60.0° |
| C8 | C26 | C29 | C42 | 41.1° | 90.0° |
| C8 | C26 | C29 | C46 | 140.2° | 90.3° |
| C26 | C8 | C7 | H7 | 73.7° | 55.0° |
| C26 | C8 | C7 | H7A | 49.4° | 65.0° |
| C8 | C26 | H26 | H26A | 117.1° | 120.0° |
| C26 | C8 | N28 | HN28 | 112.4° | 120.0° |
| N28 | C8 | C26 | C29 | 34.7° | 65.0° |
| C8 | N28 | C30 | HN28 | 180.0° | 179.9° |
| C8 | N28 | C30 | O31 | 1.3° | 5.2° |
| C8 | N28 | C30 | C32 | 178.3° | 174.8° |
| N28 | C8 | C7 | H7 | 162.9° | 175.0° |
| N28 | C8 | C7 | H7A | 73.9° | 55.0° |
| N28 | C8 | C26 | H26 | 154.8° | 175.0° |
| N28 | C8 | C26 | H26A | 82.0° | 55.0° |
| C12 | C9 | C13 | C53 | 116.0° | 119.9° |
| C12 | C9 | C2 | H2 | 19.5° | 173.3° |
| C9 | C12 | H12 | H12A | 120.0° | 120.0° |
| C9 | C12 | H12 | H12B | 120.0° | 120.0° |
| C9 | C12 | H12A | H12B | 120.0° | 120.0° |
| C12 | C9 | C13 | H13 | 132.7° | 176.2° |
| C12 | C9 | C13 | H13A | 12.8° | 56.2° |
| C12 | C9 | C13 | H13B | 107.3° | 63.8° |
| C12 | C9 | C53 | H53 | 3.2° | 60.0° |
| C12 | C9 | C53 | H53A | 123.2° | 60.0° |
| C12 | C9 | C53 | H53B | 116.7° | 180.0° |
| C13 | C9 | C2 | H2 | 135.4° | 53.4° |
| C13 | C9 | C12 | H12 | 83.5° | 65.8° |
| C13 | C9 | C12 | H12A | 36.4° | 54.2° |
| C13 | C9 | C12 | H12B | 156.4° | 174.2° |
| C9 | C13 | H13 | H13A | 120.0° | 120.0° |
| C9 | C13 | H13 | H13B | 120.0° | 120.0° |
| C9 | C13 | H13A | H13B | 120.0° | 120.1° |
| C13 | C9 | C53 | H53 | 110.3° | 180.0° |
| C13 | C9 | C53 | H53A | 9.7° | 60.0° |
| C13 | C9 | C53 | H53B | 129.7° | 60.1° |
| C53 | C9 | C2 | H2 | 100.3° | 66.7° |
| C53 | C9 | C12 | H12 | 160.5° | 174.2° |
| C53 | C9 | C12 | H12A | 79.5° | 65.8° |
| C53 | C9 | C12 | H12B | 40.5° | 54.3° |
| C53 | C9 | C13 | H13 | 16.7° | 56.2° |
| C53 | C9 | C13 | H13A | 103.3° | 63.8° |
| C53 | C9 | C13 | H13B | 136.7° | 176.2° |
| C9 | C53 | H53 | H53A | 120.0° | 120.0° |
| C9 | C53 | H53 | H53B | 120.0° | 120.0° |
| C9 | C53 | H53A | H53B | 120.0° | 120.0° |
| C11 | C19 | C14 | C15 | 179.1° | 180.0° |
| C11 | C19 | C14 | C18 | 179.3° | 179.9° |
| C11 | C19 | C18 | C17 | 179.0° | 180.0° |
| C19 | C11 | C5 | H5 | 55.8° | 55.0° |
| C19 | C11 | H11 | H11A | 120.7° | 120.1° |
| C11 | C19 | C14 | H14 | 0.9° | 0.2° |
| C11 | C19 | C18 | H18 | 1.0° | 0.1° |
| C15 | C14 | C19 | H14 | 180.0° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C19 | C18 | 0.2° | 0.1° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| C19 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C19 | C18 | C17 | 0.3° | 0.0° |
| C14 | C19 | C11 | H11 | 14.2° | 29.9° |
| C14 | C19 | C11 | H11A | 133.5° | 150.0° |
| C19 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C19 | C18 | H18 | 179.7° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C14 | H14 | 179.9° | 179.7° |
| C15 | C16 | C17 | H17 | 179.8° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.0° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 179.7° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | H16 | 179.8° | 179.9° |
| C18 | C19 | C11 | H11 | 166.5° | 150.0° |
| C18 | C19 | C11 | H11A | 47.2° | 29.9° |
| C18 | C19 | C14 | H14 | 179.8° | 179.7° |
| C19 | C18 | C17 | H17 | 179.7° | 179.9° |
| C20 | N21 | C22 | C24 | 179.4° | 179.9° |
| C20 | N21 | C22 | C23 | 0.3° | 0.3° |
| C20 | N21 | C24 | C25 | 106.8° | 90.0° |
| C20 | N21 | C22 | H22 | 179.8° | 180.0° |
| C20 | N21 | C24 | H24 | 133.2° | 150.0° |
| C20 | N21 | C24 | H24A | 13.7° | 29.9° |
| O27 | C20 | N21 | C22 | 179.9° | 180.0° |
| O27 | C20 | N21 | C24 | 0.6° | 0.0° |
| N21 | C22 | C23 | H22 | 180.0° | 179.8° |
| C22 | N21 | C24 | C25 | 74.0° | 90.1° |
| N21 | C22 | C23 | H23 | 179.6° | 179.7° |
| C22 | N21 | C24 | H24 | 46.0° | 29.9° |
| C22 | N21 | C24 | H24A | 165.6° | 150.0° |
| C24 | N21 | C22 | C23 | 179.6° | 179.8° |
| N21 | C24 | C25 | H24 | 120.0° | 120.0° |
| N21 | C24 | C25 | H24A | 120.4° | 119.9° |
| N21 | C24 | C25 | N47 | 97.5° | 85.0° |
| N21 | C24 | C25 | C51 | 82.5° | 94.8° |
| C24 | N21 | C22 | H22 | 0.4° | 0.0° |
| N21 | C24 | H24 | H24A | 120.4° | 120.0° |
| C24 | C25 | N47 | C51 | 180.0° | 179.8° |
| C24 | C25 | N47 | C48 | 179.9° | 180.0° |
| C24 | C25 | C51 | C50 | 179.9° | 179.7° |
| C25 | C24 | H24 | H24A | 120.4° | 120.0° |
| C24 | C25 | C51 | H51 | 0.0° | 0.1° |
| C25 | N47 | C48 | C49 | 0.1° | 0.1° |
| C25 | N47 | C48 | C52 | 179.9° | 180.0° |
| N47 | C25 | C51 | C50 | 0.1° | 0.5° |
| N47 | C25 | C24 | H24 | 22.5° | 155.0° |
| N47 | C25 | C24 | H24A | 142.1° | 34.9° |
| N47 | C25 | C51 | H51 | 179.9° | 179.7° |
| C51 | C25 | N47 | C48 | 0.1° | 0.2° |
| C25 | C51 | C50 | C49 | 0.2° | 0.5° |
| C25 | C51 | C50 | H51 | 180.0° | 179.8° |
| C51 | C25 | C24 | H24 | 157.5° | 25.2° |
| C51 | C25 | C24 | H24A | 37.9° | 145.3° |
| C25 | C51 | C50 | H50 | 179.8° | 179.7° |
| C26 | C29 | C42 | C46 | 178.7° | 179.7° |
| C26 | C29 | C42 | C43 | 178.5° | 180.0° |
| C26 | C29 | C46 | C45 | 179.2° | 179.8° |
| C29 | C26 | C8 | H8 | 80.4° | 55.0° |
| C29 | C26 | H26 | H26A | 117.1° | 120.1° |
| C26 | C29 | C42 | H42 | 1.5° | 0.1° |
| C26 | C29 | C46 | H46 | 0.8° | 0.0° |
| N28 | C30 | O31 | C32 | 179.5° | 179.9° |
| N28 | C30 | C32 | N33 | 96.9° | 151.3° |
| N28 | C30 | C32 | C37 | 148.2° | 88.7° |
| C30 | N28 | C8 | H8 | 171.1° | 180.0° |
| N28 | C30 | C32 | H32 | 27.4° | 31.4° |
| C29 | C42 | C43 | H42 | 180.0° | 179.9° |
| C29 | C42 | C43 | C44 | 0.5° | 0.1° |
| C42 | C29 | C46 | C45 | 0.5° | 0.5° |
| C42 | C29 | C26 | H26 | 78.9° | 29.9° |
| C42 | C29 | C26 | H26A | 157.9° | 150.0° |
| C29 | C42 | C43 | H43 | 179.5° | 179.9° |
| C42 | C29 | C46 | H46 | 179.5° | 179.7° |
| C46 | C29 | C42 | C43 | 0.2° | 0.3° |
| C29 | C46 | C45 | C44 | 0.9° | 0.4° |
| C29 | C46 | C45 | H46 | 180.0° | 179.8° |
| C46 | C29 | C26 | H26 | 99.8° | 149.7° |
| C46 | C29 | C26 | H26A | 23.5° | 29.7° |
| C46 | C29 | C42 | H42 | 179.8° | 179.8° |
| C29 | C46 | C45 | H45 | 179.2° | 179.7° |
| O31 | C30 | C32 | N33 | 82.7° | 28.7° |
| O31 | C30 | C32 | C37 | 32.2° | 91.3° |
| O31 | C30 | N28 | HN28 | 178.7° | 174.8° |
| O31 | C30 | C32 | H32 | 153.0° | 148.7° |
| C30 | C32 | N33 | C37 | 118.3° | 120.0° |
| C30 | C32 | N33 | H32 | 121.3° | 120.0° |
| C30 | C32 | C37 | H32 | 121.8° | 120.0° |
| C30 | C32 | N33 | C34 | 118.7° | 155.0° |
| C30 | C32 | C37 | C38 | 170.7° | 63.8° |
| C30 | C32 | C37 | C39 | 49.6° | 176.2° |
| C30 | C32 | C37 | C40 | 69.9° | 56.2° |
| C32 | C30 | N28 | HN28 | 1.7° | 5.1° |
| C30 | C32 | N33 | HN33 | 61.3° | 25.0° |
| N33 | C32 | C37 | H32 | 124.4° | 120.0° |
| C32 | N33 | C34 | HN33 | 180.0° | 179.9° |
| C32 | N33 | C34 | O35 | 169.6° | 180.0° |
| C32 | N33 | C34 | O41 | 10.5° | 0.0° |
| N33 | C32 | C37 | C38 | 75.5° | 176.2° |
| N33 | C32 | C37 | C39 | 163.4° | 56.2° |
| N33 | C32 | C37 | C40 | 44.0° | 63.8° |
| C37 | C32 | N33 | C34 | 122.9° | 85.0° |
| C32 | C37 | C38 | C39 | 124.2° | 120.0° |
| C32 | C37 | C38 | C40 | 119.1° | 120.0° |
| C32 | C37 | C39 | C40 | 120.2° | 120.0° |
| C37 | C32 | N33 | HN33 | 57.0° | 94.9° |
| C32 | C37 | C38 | H38 | 80.0° | 59.7° |
| C32 | C37 | C38 | H38A | 40.0° | 179.7° |
| C32 | C37 | C38 | H38B | 160.0° | 60.3° |
| C32 | C37 | C39 | H39 | 179.7° | 60.0° |
| C32 | C37 | C39 | H39A | 59.7° | 180.0° |
| C32 | C37 | C39 | H39B | 60.3° | 60.0° |
| C32 | C37 | C40 | H40 | 90.1° | 60.1° |
| C32 | C37 | C40 | H40A | 29.9° | 180.0° |
| C32 | C37 | C40 | H40B | 149.9° | 60.0° |
| N33 | C34 | O35 | O41 | 179.9° | 179.9° |
| N33 | C34 | O35 | C36 | 162.0° | 180.0° |
| C34 | N33 | C32 | H32 | 2.5° | 35.0° |
| O35 | C34 | N33 | HN33 | 10.4° | 0.1° |
| C34 | O35 | C36 | H36 | 5.0° | 60.0° |
| C34 | O35 | C36 | H36A | 125.0° | 180.0° |
| C34 | O35 | C36 | H36B | 115.0° | 60.0° |
| O41 | C34 | O35 | C36 | 17.8° | 0.0° |
| O41 | C34 | N33 | HN33 | 169.5° | 180.0° |
| O35 | C36 | H36 | H36A | 120.0° | 120.0° |
| O35 | C36 | H36 | H36B | 120.0° | 120.0° |
| O35 | C36 | H36A | H36B | 120.0° | 120.0° |
| C38 | C37 | C39 | C40 | 117.9° | 120.1° |
| C38 | C37 | C32 | H32 | 48.9° | 56.2° |
| C37 | C38 | H38 | H38A | 120.0° | 120.0° |
| C37 | C38 | H38 | H38B | 120.0° | 120.0° |
| C37 | C38 | H38A | H38B | 120.0° | 120.0° |
| C38 | C37 | C39 | H39 | 58.3° | 180.0° |
| C38 | C37 | C39 | H39A | 178.4° | 60.0° |
| C38 | C37 | C39 | H39B | 61.6° | 60.0° |
| C38 | C37 | C40 | H40 | 29.6° | 59.9° |
| C38 | C37 | C40 | H40A | 149.6° | 60.0° |
| C38 | C37 | C40 | H40B | 90.4° | 180.0° |
| C39 | C37 | C32 | H32 | 72.2° | 63.8° |
| C39 | C37 | C38 | H38 | 44.2° | 60.3° |
| C39 | C37 | C38 | H38A | 164.2° | 59.7° |
| C39 | C37 | C38 | H38B | 75.8° | 179.7° |
| C37 | C39 | H39 | H39A | 120.0° | 120.0° |
| C37 | C39 | H39 | H39B | 120.0° | 120.1° |
| C37 | C39 | H39A | H39B | 120.0° | 120.0° |
| C39 | C37 | C40 | H40 | 146.8° | 180.0° |
| C39 | C37 | C40 | H40A | 93.2° | 60.1° |
| C39 | C37 | C40 | H40B | 26.8° | 59.9° |
| C40 | C37 | C32 | H32 | 168.3° | 176.3° |
| C40 | C37 | C38 | H38 | 160.9° | 179.7° |
| C40 | C37 | C38 | H38A | 79.1° | 60.4° |
| C40 | C37 | C38 | H38B | 40.9° | 59.7° |
| C40 | C37 | C39 | H39 | 59.6° | 59.9° |
| C40 | C37 | C39 | H39A | 60.5° | 60.1° |
| C40 | C37 | C39 | H39B | 179.5° | 180.0° |
| C37 | C40 | H40 | H40A | 120.0° | 119.9° |
| C37 | C40 | H40 | H40B | 120.0° | 120.1° |
| C37 | C40 | H40A | H40B | 120.0° | 120.0° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.2° | 0.0° |
| C42 | C43 | C44 | C55 | 178.6° | 180.0° |
| C43 | C44 | C45 | C55 | 178.7° | 180.0° |
| C43 | C44 | C45 | C46 | 0.5° | 0.2° |
| C43 | C44 | C55 | N56 | 38.1° | 0.0° |
| C43 | C44 | C55 | C60 | 140.7° | 179.7° |
| C44 | C43 | C42 | H42 | 179.5° | 180.0° |
| C43 | C44 | C45 | H45 | 179.5° | 179.9° |
| C44 | C45 | C46 | H45 | 180.0° | 179.9° |
| C45 | C44 | C55 | N56 | 143.1° | 180.0° |
| C45 | C44 | C55 | C60 | 38.0° | 0.3° |
| C45 | C44 | C43 | H43 | 179.8° | 180.0° |
| C44 | C45 | C46 | H46 | 179.1° | 179.8° |
| C55 | C44 | C45 | C46 | 179.3° | 179.8° |
| C44 | C55 | N56 | C60 | 178.8° | 179.7° |
| C44 | C55 | N56 | C57 | 178.8° | 180.0° |
| C44 | C55 | C60 | C59 | 178.9° | 179.8° |
| C55 | C44 | C43 | H43 | 1.4° | 0.0° |
| C55 | C44 | C45 | H45 | 0.8° | 0.1° |
| C44 | C55 | C60 | H60 | 1.1° | 0.0° |
| N47 | C48 | C49 | C52 | 180.0° | 179.9° |
| N47 | C48 | C49 | C50 | 0.0° | 0.1° |
| N47 | C48 | C49 | H49 | 180.0° | 179.9° |
| N47 | C48 | C52 | H52 | 57.2° | 90.0° |
| N47 | C48 | C52 | H52A | 62.8° | 150.0° |
| N47 | C48 | C52 | H52B | 177.2° | 29.9° |
| C48 | C49 | C50 | H49 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 0.2° | 0.2° |
| C48 | C49 | C50 | H50 | 179.8° | 180.0° |
| C49 | C48 | C52 | H52 | 122.8° | 90.0° |
| C49 | C48 | C52 | H52A | 117.2° | 29.9° |
| C49 | C48 | C52 | H52B | 2.8° | 150.0° |
| C52 | C48 | C49 | C50 | 180.0° | 180.0° |
| C52 | C48 | C49 | H49 | 0.0° | 0.0° |
| C48 | C52 | H52 | H52A | 120.0° | 120.0° |
| C48 | C52 | H52 | H52B | 120.0° | 120.0° |
| C48 | C52 | H52A | H52B | 120.0° | 120.1° |
| C49 | C50 | C51 | H50 | 180.0° | 179.8° |
| C49 | C50 | C51 | H51 | 179.8° | 179.7° |
| C51 | C50 | C49 | H49 | 179.8° | 179.8° |
| C55 | N56 | C57 | C58 | 0.1° | 0.0° |
| N56 | C55 | C60 | C59 | 0.1° | 0.5° |
| C55 | N56 | C57 | H57 | 179.9° | 180.0° |
| N56 | C55 | C60 | H60 | 179.8° | 179.8° |
| C60 | C55 | N56 | C57 | 0.0° | 0.3° |
| C55 | C60 | C59 | C58 | 0.4° | 0.5° |
| C55 | C60 | C59 | H60 | 180.0° | 179.7° |
| C55 | C60 | C59 | H59 | 179.6° | 179.8° |
| N56 | C57 | C58 | H57 | 180.0° | 180.0° |
| N56 | C57 | C58 | C59 | 0.4° | 0.0° |
| N56 | C57 | C58 | H58 | 179.6° | 180.0° |
| C57 | C58 | C59 | H58 | 180.0° | 180.0° |
| C57 | C58 | C59 | C60 | 0.5° | 0.3° |
| C57 | C58 | C59 | H59 | 179.5° | 180.0° |
| C58 | C59 | C60 | H59 | 180.0° | 179.7° |
| C59 | C58 | C57 | H57 | 179.6° | 180.0° |
| C58 | C59 | C60 | H60 | 179.6° | 179.8° |
| C60 | C59 | C58 | H58 | 179.5° | 179.8° |
| HN4 | N4 | C5 | H5 | 174.2° | 145.1° |
| H5 | C5 | C6 | H6 | 61.9° | 60.0° |
| H5 | C5 | C11 | H11 | 175.8° | 175.0° |
| H5 | C5 | C11 | H11A | 64.9° | 65.0° |
| H6 | C6 | C7 | H7 | 163.7° | 174.9° |
| H6 | C6 | C7 | H7A | 73.1° | 65.0° |
| H6 | C6 | O54 | HO54 | 155.7° | 180.0° |
| H7 | C7 | C8 | H8 | 47.9° | 65.0° |
| H7A | C7 | C8 | H8 | 171.0° | 175.0° |
| H8 | C8 | C26 | H26 | 39.6° | 65.0° |
| H8 | C8 | C26 | H26A | 162.8° | 175.0° |
| H8 | C8 | N28 | HN28 | 8.9° | 0.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.2° |
| H15 | C15 | C16 | H16 | 0.1° | 0.2° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| H17 | C17 | C18 | H18 | 0.3° | 0.1° |
| H22 | C22 | C23 | H23 | 0.4° | 0.1° |
| H32 | C32 | N33 | HN33 | 177.5° | 145.1° |
| H36 | C36 | H36A | H36B | 120.0° | 119.9° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
| H39 | C39 | H39A | H39B | 119.9° | 120.0° |
| H40 | C40 | H40A | H40B | 119.9° | 120.0° |
| H42 | C42 | C43 | H43 | 0.5° | 0.0° |
| H45 | C45 | C46 | H46 | 0.8° | 0.1° |
| H49 | C49 | C50 | H50 | 0.2° | 0.0° |
| H50 | C50 | C51 | H51 | 0.2° | 0.1° |
| H52 | C52 | H52A | H52B | 119.9° | 120.0° |
| H53 | C53 | H53A | H53B | 120.0° | 120.0° |
| H57 | C57 | C58 | H58 | 0.4° | 0.0° |
| H58 | C58 | C59 | H59 | 0.5° | 0.0° |
| H59 | C59 | C60 | H60 | 0.4° | 0.0° |
