X2Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.36Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.36Å | 1.40Å | Aromatic |
| C34 | C29 | doub | 1.41Å | 1.40Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C40 | sing | 1.40Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.37Å | 1.40Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C46 | C47 | sing | 1.37Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.41Å | 1.40Å | Aromatic |
| C59 | C60 | doub | 1.38Å | 1.40Å | Aromatic |
| C59 | C58 | sing | 1.39Å | 1.40Å | Aromatic |
| C60 | N61 | sing | 1.33Å | 1.34Å | Aromatic |
| C29 | C30 | sing | 1.42Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.49Å | 1.38Å | |
| C40 | N04 | doub | 1.35Å | 1.34Å | Aromatic |
| C39 | N03 | doub | 1.35Å | 1.34Å | Aromatic |
| C42 | C41 | doub | 1.37Å | 1.40Å | Aromatic |
| C30 | N02 | sing | 1.41Å | 1.35Å | Aromatic |
| C47 | C49 | sing | 1.51Å | 1.54Å | |
| C47 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.37Å | 1.40Å | Aromatic |
| N53 | C49 | sing | 1.46Å | 1.46Å | |
| N53 | C54 | sing | 1.34Å | 1.47Å | |
| C56 | C58 | sing | 1.51Å | 1.54Å | |
| C56 | C55 | sing | 1.53Å | 1.54Å | |
| C58 | C63 | doub | 1.39Å | 1.39Å | Aromatic |
| N61 | C62 | doub | 1.33Å | 1.34Å | Aromatic |
| N04 | C41 | sing | 1.35Å | 1.34Å | Aromatic |
| N04 | IR50 | sing | 2.20Å | 2.02Å | |
| N03 | C48 | sing | 1.34Å | 1.34Å | Aromatic |
| N03 | IR50 | sing | 2.20Å | 2.01Å | |
| N02 | C26 | doub | 1.33Å | 1.33Å | Aromatic |
| N02 | IR50 | sing | 2.14Å | 2.11Å | |
| C55 | C54 | sing | 1.52Å | 1.53Å | |
| C54 | O57 | doub | 1.24Å | 1.20Å | |
| C27 | C26 | sing | 1.42Å | 1.40Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.47Å | 1.39Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| IR50 | C15 | sing | 2.04Å | 2.02Å | |
| IR50 | N01 | sing | 2.13Å | 2.02Å | |
| IR50 | C22 | sing | 2.04Å | 2.02Å | |
| C10 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.37Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.49Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | S52 | sing | 1.74Å | 1.71Å | Aromatic |
| N01 | C09 | doub | 1.41Å | 1.35Å | Aromatic |
| N01 | C05 | sing | 1.33Å | 1.35Å | Aromatic |
| C09 | C08 | sing | 1.42Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.50Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | S51 | sing | 1.76Å | 1.71Å | Aromatic |
| C14 | C05 | sing | 1.47Å | 1.39Å | |
| C14 | S51 | sing | 1.74Å | 1.72Å | Aromatic |
| C05 | C06 | doub | 1.42Å | 1.40Å | Aromatic |
| C08 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.41Å | 1.40Å | Aromatic |
| S52 | C24 | sing | 1.76Å | 1.71Å | Aromatic |
| C06 | C07 | sing | 1.37Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.41Å | 1.40Å | Aromatic |
| C23 | C38 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | H1 | sing | 0.97Å | 1.08Å | |
| C07 | H2 | sing | 0.94Å | 1.08Å | |
| C10 | H3 | sing | 0.92Å | 1.08Å | |
| C11 | H4 | sing | 0.94Å | 1.08Å | |
| C12 | H5 | sing | 0.94Å | 1.08Å | |
| C13 | H6 | sing | 0.94Å | 1.08Å | |
| C18 | H7 | sing | 0.94Å | 1.08Å | |
| C19 | H8 | sing | 0.94Å | 1.08Å | |
| C20 | H9 | sing | 0.94Å | 1.08Å | |
| C21 | H10 | sing | 0.93Å | 1.08Å | |
| C27 | H11 | sing | 0.97Å | 1.08Å | |
| C28 | H12 | sing | 0.94Å | 1.08Å | |
| C31 | H13 | sing | 0.93Å | 1.08Å | |
| C32 | H14 | sing | 0.94Å | 1.08Å | |
| C33 | H15 | sing | 0.94Å | 1.08Å | |
| C34 | H16 | sing | 0.94Å | 1.08Å | |
| C35 | H17 | sing | 0.94Å | 1.08Å | |
| C36 | H18 | sing | 0.94Å | 1.08Å | |
| C37 | H19 | sing | 0.94Å | 1.08Å | |
| C38 | H20 | sing | 0.93Å | 1.08Å | |
| C41 | H21 | sing | 0.94Å | 1.08Å | |
| C42 | H22 | sing | 0.94Å | 1.08Å | |
| C43 | H23 | sing | 0.94Å | 1.08Å | |
| C44 | H24 | sing | 0.94Å | 1.08Å | |
| C45 | H25 | sing | 0.94Å | 1.08Å | |
| C46 | H26 | sing | 0.94Å | 1.08Å | |
| C48 | H27 | sing | 0.94Å | 1.08Å | |
| C49 | H28 | sing | 0.98Å | 1.10Å | |
| C49 | H29 | sing | 0.98Å | 1.10Å | |
| C55 | H30 | sing | 0.97Å | 1.10Å | |
| C55 | H31 | sing | 0.97Å | 1.10Å | |
| C56 | H32 | sing | 0.98Å | 1.10Å | |
| C56 | H33 | sing | 0.98Å | 1.10Å | |
| C59 | H34 | sing | 0.94Å | 1.08Å | |
| C60 | H35 | sing | 0.94Å | 1.08Å | |
| C62 | H36 | sing | 0.94Å | 1.08Å | |
| C63 | H37 | sing | 0.94Å | 1.08Å | |
| N53 | H38 | sing | 0.89Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C33 | C34 | 119.5° | 120.2° |
| C33 | C32 | C31 | 120.0° | 120.9° |
| C33 | C32 | H14 | 120.0° | 119.7° |
| C32 | C33 | H15 | 120.3° | 119.9° |
| C33 | C34 | C29 | 120.3° | 120.4° |
| C34 | C33 | H15 | 120.2° | 119.9° |
| C33 | C34 | H16 | 119.8° | 119.7° |
| C32 | C31 | C30 | 121.0° | 120.8° |
| C32 | C31 | H13 | 119.5° | 119.5° |
| C31 | C32 | H14 | 120.0° | 119.5° |
| C34 | C29 | C30 | 120.5° | 119.7° |
| C34 | C29 | C28 | 119.6° | 121.9° |
| C29 | C34 | H16 | 119.9° | 119.9° |
| C43 | C44 | C40 | 118.4° | 119.6° |
| C44 | C43 | C42 | 118.4° | 119.3° |
| C44 | C43 | H23 | 120.8° | 120.2° |
| C43 | C44 | H24 | 120.8° | 119.6° |
| C44 | C40 | C39 | 122.9° | 123.7° |
| C44 | C40 | N04 | 122.7° | 121.3° |
| C40 | C44 | H24 | 120.8° | 120.8° |
| C43 | C42 | C41 | 119.8° | 118.4° |
| C43 | C42 | H22 | 120.1° | 120.8° |
| C42 | C43 | H23 | 120.8° | 120.5° |
| C46 | C45 | C39 | 118.3° | 119.1° |
| C45 | C46 | C47 | 118.7° | 120.6° |
| C46 | C45 | H25 | 120.9° | 119.8° |
| C45 | C46 | H26 | 120.6° | 119.6° |
| C45 | C39 | C40 | 123.6° | 123.7° |
| C45 | C39 | N03 | 122.2° | 121.1° |
| C39 | C45 | H25 | 120.8° | 121.2° |
| C46 | C47 | C49 | 118.2° | 121.6° |
| C46 | C47 | C48 | 120.1° | 116.9° |
| C47 | C46 | H26 | 120.7° | 119.9° |
| C31 | C30 | C29 | 118.6° | 118.0° |
| C31 | C30 | N02 | 121.5° | 120.0° |
| C30 | C31 | H13 | 119.5° | 119.6° |
| C60 | C59 | C58 | 119.0° | 119.8° |
| C59 | C60 | N61 | 120.5° | 123.6° |
| C60 | C59 | H34 | 120.5° | 120.2° |
| C59 | C60 | H35 | 119.7° | 118.3° |
| C59 | C58 | C56 | 119.6° | 121.7° |
| C59 | C58 | C63 | 119.3° | 116.5° |
| C58 | C59 | H34 | 120.5° | 120.0° |
| C60 | N61 | C62 | 121.5° | 116.6° |
| N61 | C60 | H35 | 119.7° | 118.0° |
| C30 | C29 | C28 | 119.9° | 118.3° |
| C29 | C30 | N02 | 119.8° | 122.0° |
| C29 | C28 | C27 | 118.7° | 119.0° |
| C29 | C28 | H12 | 120.7° | 120.4° |
| C39 | C40 | N04 | 114.5° | 114.9° |
| C40 | C39 | N03 | 114.2° | 115.3° |
| C40 | N04 | C41 | 119.8° | 117.3° |
| C40 | N04 | IR50 | 117.5° | 118.2° |
| C39 | N03 | C48 | 120.7° | 118.3° |
| C39 | N03 | IR50 | 117.7° | 118.0° |
| C42 | C41 | N04 | 121.0° | 124.1° |
| C42 | C41 | H21 | 119.5° | 118.0° |
| C41 | C42 | H22 | 120.1° | 120.7° |
| C30 | N02 | C26 | 120.9° | 117.5° |
| C30 | N02 | IR50 | 125.9° | 132.4° |
| C49 | C47 | C48 | 121.7° | 121.5° |
| C47 | C49 | N53 | 111.4° | 112.9° |
| C47 | C49 | H28 | 109.0° | 108.9° |
| C47 | C49 | H29 | 109.0° | 109.6° |
| C47 | C48 | N03 | 120.0° | 124.0° |
| C47 | C48 | H27 | 120.0° | 117.9° |
| C28 | C27 | C26 | 118.4° | 120.7° |
| C28 | C27 | H11 | 120.8° | 119.5° |
| C27 | C28 | H12 | 120.7° | 120.5° |
| C49 | N53 | C54 | 118.6° | 124.7° |
| N53 | C49 | H28 | 109.0° | 108.8° |
| N53 | C49 | H29 | 109.0° | 108.9° |
| C49 | N53 | H38 | 120.7° | 115.4° |
| N53 | C54 | C55 | 119.0° | 117.2° |
| N53 | C54 | O57 | 120.5° | 122.6° |
| C54 | N53 | H38 | 120.7° | 119.9° |
| C58 | C56 | C55 | 122.5° | 114.7° |
| C56 | C58 | C63 | 121.0° | 121.8° |
| C58 | C56 | H32 | 106.1° | 109.1° |
| C58 | C56 | H33 | 106.1° | 108.9° |
| C56 | C55 | C54 | 114.2° | 112.2° |
| C56 | C55 | H30 | 108.3° | 109.1° |
| C56 | C55 | H31 | 108.3° | 109.3° |
| C55 | C56 | H32 | 106.1° | 108.4° |
| C55 | C56 | H33 | 106.1° | 108.4° |
| C58 | C63 | C62 | 118.8° | 119.8° |
| C58 | C63 | H37 | 120.6° | 120.1° |
| N61 | C62 | C63 | 120.8° | 123.6° |
| N61 | C62 | H36 | 119.6° | 118.0° |
| C41 | N04 | IR50 | 122.7° | 124.5° |
| N04 | C41 | H21 | 119.5° | 117.9° |
| N04 | IR50 | N03 | 76.2° | 73.6° |
| N04 | IR50 | N02 | 105.6° | 104.8° |
| N04 | IR50 | C15 | 88.2° | 100.1° |
| N04 | IR50 | N01 | 77.9° | 79.8° |
| N04 | IR50 | C22 | 167.8° | 168.6° |
| C48 | N03 | IR50 | 121.6° | 123.7° |
| N03 | C48 | H27 | 120.0° | 118.1° |
| N03 | IR50 | N02 | 76.1° | 79.5° |
| N03 | IR50 | C15 | 163.0° | 168.1° |
| N03 | IR50 | N01 | 106.4° | 104.4° |
| N03 | IR50 | C22 | 96.0° | 101.5° |
| C26 | N02 | IR50 | 113.2° | 109.4° |
| N02 | C26 | C27 | 122.2° | 122.5° |
| N02 | C26 | C25 | 115.1° | 116.4° |
| N02 | IR50 | C15 | 102.3° | 92.6° |
| N02 | IR50 | N01 | 176.3° | 174.7° |
| N02 | IR50 | C22 | 81.1° | 84.0° |
| C55 | C54 | O57 | 120.5° | 120.3° |
| C54 | C55 | H30 | 108.3° | 108.7° |
| C54 | C55 | H31 | 108.3° | 109.2° |
| C27 | C26 | C25 | 122.7° | 121.1° |
| C26 | C27 | H11 | 120.8° | 119.8° |
| C63 | C62 | H36 | 119.6° | 118.4° |
| C62 | C63 | H37 | 120.6° | 120.1° |
| C26 | C25 | C22 | 120.8° | 122.1° |
| C26 | C25 | S52 | 128.3° | 126.3° |
| C21 | C20 | C19 | 120.4° | 121.1° |
| C20 | C21 | C16 | 118.7° | 119.2° |
| C21 | C20 | H9 | 119.8° | 119.5° |
| C20 | C21 | H10 | 120.7° | 119.8° |
| C20 | C19 | C18 | 120.6° | 120.9° |
| C20 | C19 | H8 | 119.7° | 119.5° |
| C19 | C20 | H9 | 119.8° | 119.4° |
| C21 | C16 | C15 | 124.6° | 131.2° |
| C21 | C16 | C17 | 121.0° | 118.9° |
| C16 | C21 | H10 | 120.7° | 121.0° |
| C15 | IR50 | N01 | 76.2° | 84.1° |
| C15 | IR50 | C22 | 100.5° | 86.4° |
| IR50 | C15 | C16 | 131.2° | 138.5° |
| IR50 | C15 | C14 | 119.3° | 107.3° |
| N01 | IR50 | C22 | 95.8° | 91.7° |
| IR50 | N01 | C09 | 122.9° | 132.8° |
| IR50 | N01 | C05 | 117.3° | 109.5° |
| IR50 | C22 | C25 | 110.0° | 107.1° |
| IR50 | C22 | C23 | 137.0° | 139.2° |
| C11 | C10 | C09 | 121.9° | 120.9° |
| C10 | C11 | C12 | 119.7° | 120.8° |
| C11 | C10 | H3 | 119.0° | 119.5° |
| C10 | C11 | H4 | 120.1° | 119.5° |
| C10 | C09 | N01 | 121.4° | 120.1° |
| C10 | C09 | C08 | 117.7° | 118.0° |
| C09 | C10 | H3 | 119.0° | 119.6° |
| C11 | C12 | C13 | 119.1° | 120.2° |
| C12 | C11 | H4 | 120.1° | 119.6° |
| C11 | C12 | H5 | 120.5° | 119.8° |
| C19 | C18 | C17 | 118.8° | 118.3° |
| C19 | C18 | H7 | 120.6° | 121.0° |
| C18 | C19 | H8 | 119.7° | 119.5° |
| C15 | C16 | C17 | 114.4° | 109.8° |
| C16 | C15 | C14 | 109.5° | 113.6° |
| C16 | C17 | C18 | 120.5° | 121.5° |
| C16 | C17 | S51 | 111.2° | 112.5° |
| C15 | C14 | C05 | 109.7° | 121.9° |
| C15 | C14 | S51 | 113.4° | 111.3° |
| C22 | C25 | S52 | 111.0° | 111.5° |
| C25 | C22 | C23 | 113.1° | 113.4° |
| C25 | S52 | C24 | 92.4° | 92.7° |
| C09 | N01 | C05 | 119.9° | 117.5° |
| N01 | C09 | C08 | 120.9° | 122.0° |
| N01 | C05 | C14 | 117.5° | 116.5° |
| N01 | C05 | C06 | 122.1° | 122.5° |
| C09 | C08 | C13 | 120.8° | 119.7° |
| C09 | C08 | C07 | 119.5° | 118.3° |
| C12 | C13 | C08 | 120.8° | 120.4° |
| C13 | C12 | H5 | 120.4° | 120.0° |
| C12 | C13 | H6 | 119.6° | 119.7° |
| C22 | C23 | C24 | 111.1° | 109.9° |
| C22 | C23 | C38 | 129.8° | 131.3° |
| C18 | C17 | S51 | 128.3° | 126.0° |
| C17 | C18 | H7 | 120.6° | 120.8° |
| C17 | S51 | C14 | 91.4° | 92.7° |
| C05 | C14 | S51 | 136.9° | 126.8° |
| C14 | C05 | C06 | 120.3° | 121.0° |
| C05 | C06 | C07 | 118.6° | 120.7° |
| C05 | C06 | H1 | 120.7° | 119.9° |
| C13 | C08 | C07 | 119.8° | 122.0° |
| C08 | C13 | H6 | 119.6° | 119.9° |
| C08 | C07 | C06 | 119.0° | 119.1° |
| C08 | C07 | H2 | 120.5° | 120.4° |
| S52 | C24 | C23 | 112.5° | 112.6° |
| S52 | C24 | C35 | 126.6° | 125.8° |
| C07 | C06 | H1 | 120.7° | 119.5° |
| C06 | C07 | H2 | 120.5° | 120.6° |
| C24 | C23 | C38 | 119.1° | 118.8° |
| C23 | C24 | C35 | 120.9° | 121.7° |
| C23 | C38 | C37 | 120.2° | 119.2° |
| C23 | C38 | H20 | 119.9° | 121.2° |
| C24 | C35 | C36 | 119.6° | 118.3° |
| C24 | C35 | H17 | 120.2° | 120.8° |
| C38 | C37 | C36 | 120.2° | 121.1° |
| C38 | C37 | H19 | 119.9° | 119.4° |
| C37 | C38 | H20 | 119.9° | 119.6° |
| C35 | C36 | C37 | 120.0° | 120.9° |
| C36 | C35 | H17 | 120.2° | 120.9° |
| C35 | C36 | H18 | 120.0° | 119.5° |
| C37 | C36 | H18 | 120.0° | 119.6° |
| C36 | C37 | H19 | 119.9° | 119.4° |
| H28 | C49 | H29 | 109.5° | 107.7° |
| H30 | C55 | H31 | 109.5° | 108.3° |
| H32 | C56 | H33 | 109.5° | 107.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C33 | C34 | H15 | 180.0° | 179.8° |
| C33 | C32 | C31 | H14 | 180.0° | 179.8° |
| C32 | C33 | C34 | C29 | 0.0° | 0.4° |
| C33 | C32 | C31 | C30 | 0.3° | 0.3° |
| C33 | C32 | C31 | H13 | 179.6° | 179.3° |
| C32 | C33 | C34 | H16 | 180.0° | 179.7° |
| C34 | C33 | C32 | C31 | 0.2° | 0.0° |
| C33 | C34 | C29 | H16 | 180.0° | 179.3° |
| C33 | C34 | C29 | C30 | 0.1° | 0.5° |
| C33 | C34 | C29 | C28 | 179.9° | 179.6° |
| C34 | C33 | C32 | H14 | 179.8° | 179.7° |
| C32 | C31 | C30 | H13 | 180.0° | 179.0° |
| C32 | C31 | C30 | C29 | 0.4° | 0.2° |
| C32 | C31 | C30 | N02 | 179.9° | 180.0° |
| C31 | C32 | C33 | H15 | 179.8° | 179.8° |
| C34 | C29 | C30 | C31 | 0.2° | 0.2° |
| C34 | C29 | C30 | C28 | 180.0° | 179.9° |
| C34 | C29 | C30 | N02 | 180.0° | 179.6° |
| C34 | C29 | C28 | C27 | 180.0° | 179.5° |
| C34 | C29 | C28 | H12 | 0.0° | 0.4° |
| C29 | C34 | C33 | H15 | 180.0° | 179.8° |
| C43 | C44 | C40 | H24 | 180.0° | 179.5° |
| C44 | C43 | C42 | H23 | 180.0° | 179.9° |
| C43 | C44 | C40 | C39 | 179.8° | 179.9° |
| C43 | C44 | C40 | N04 | 0.1° | 0.5° |
| C44 | C43 | C42 | C41 | 0.2° | 0.0° |
| C44 | C43 | C42 | H22 | 179.8° | 179.9° |
| C40 | C44 | C43 | C42 | 0.1° | 0.3° |
| C44 | C40 | C39 | C45 | 0.5° | 2.5° |
| C44 | C40 | C39 | N04 | 179.7° | 179.4° |
| C44 | C40 | C39 | N03 | 179.5° | 177.6° |
| C44 | C40 | N04 | C41 | 0.3° | 0.3° |
| C44 | C40 | N04 | IR50 | 179.7° | 177.5° |
| C40 | C44 | C43 | H23 | 179.9° | 179.8° |
| C43 | C42 | C41 | H22 | 180.0° | 179.9° |
| C43 | C42 | C41 | N04 | 0.6° | 0.2° |
| C43 | C42 | C41 | H21 | 179.4° | 179.7° |
| C42 | C43 | C44 | H24 | 179.9° | 179.9° |
| C46 | C45 | C39 | H25 | 180.0° | 179.9° |
| C45 | C46 | C47 | H26 | 180.0° | 179.8° |
| C46 | C45 | C39 | C40 | 179.8° | 179.8° |
| C46 | C45 | C39 | N03 | 0.2° | 0.1° |
| C45 | C46 | C47 | C49 | 179.2° | 179.6° |
| C45 | C46 | C47 | C48 | 1.1° | 0.0° |
| C39 | C45 | C46 | C47 | 0.4° | 0.0° |
| C45 | C39 | C40 | N03 | 180.0° | 180.0° |
| C45 | C39 | C40 | N04 | 179.8° | 177.0° |
| C45 | C39 | N03 | C48 | 0.8° | 0.1° |
| C45 | C39 | N03 | IR50 | 179.6° | 178.4° |
| C39 | C45 | C46 | H26 | 179.6° | 179.8° |
| C46 | C47 | C49 | C48 | 178.1° | 179.6° |
| C46 | C47 | C49 | N53 | 50.4° | 58.1° |
| C46 | C47 | C48 | N03 | 1.6° | 0.0° |
| C47 | C46 | C45 | H25 | 179.6° | 179.9° |
| C46 | C47 | C48 | H27 | 178.4° | 179.6° |
| C46 | C47 | C49 | H28 | 170.7° | 62.7° |
| C46 | C47 | C49 | H29 | 69.9° | 179.7° |
| C31 | C30 | C29 | N02 | 179.7° | 179.8° |
| C31 | C30 | C29 | C28 | 179.7° | 179.8° |
| C31 | C30 | N02 | C26 | 179.7° | 178.4° |
| C31 | C30 | N02 | IR50 | 0.3° | 12.1° |
| C30 | C31 | C32 | H14 | 179.6° | 180.0° |
| C60 | C59 | C58 | H34 | 180.0° | 180.0° |
| C59 | C60 | N61 | H35 | 180.0° | 180.0° |
| C60 | C59 | C58 | C56 | 180.0° | 179.8° |
| C60 | C59 | C58 | C63 | 0.5° | 0.2° |
| C59 | C60 | N61 | C62 | 0.1° | 0.0° |
| C58 | C59 | C60 | N61 | 0.3° | 0.0° |
| C59 | C58 | C56 | C63 | 179.6° | 179.6° |
| C59 | C58 | C56 | C55 | 141.5° | 92.4° |
| C59 | C58 | C63 | C62 | 0.4° | 0.2° |
| C59 | C58 | C56 | H32 | 96.7° | 29.4° |
| C59 | C58 | C56 | H33 | 19.8° | 145.9° |
| C58 | C59 | C60 | H35 | 179.7° | 179.9° |
| C59 | C58 | C63 | H37 | 179.6° | 180.0° |
| C60 | N61 | C62 | C63 | 0.1° | 0.0° |
| N61 | C60 | C59 | H34 | 179.7° | 180.0° |
| C60 | N61 | C62 | H36 | 179.9° | 180.0° |
| C30 | C29 | C28 | C27 | 0.0° | 0.6° |
| C29 | C30 | N02 | C26 | 0.1° | 1.8° |
| C29 | C30 | N02 | IR50 | 179.9° | 167.7° |
| C30 | C29 | C28 | H12 | 180.0° | 179.7° |
| C29 | C30 | C31 | H13 | 179.6° | 179.1° |
| C30 | C29 | C34 | H16 | 179.9° | 179.8° |
| C28 | C29 | C30 | N02 | 0.0° | 0.3° |
| C29 | C28 | C27 | H12 | 180.0° | 179.1° |
| C29 | C28 | C27 | C26 | 0.1° | 0.1° |
| C29 | C28 | C27 | H11 | 179.9° | 179.8° |
| C28 | C29 | C34 | H16 | 0.1° | 0.2° |
| C39 | C40 | N04 | C41 | 179.4° | 179.8° |
| C39 | C40 | N04 | IR50 | 0.0° | 3.0° |
| C40 | C39 | N03 | C48 | 179.2° | 179.8° |
| C40 | C39 | N03 | IR50 | 0.4° | 1.6° |
| C39 | C40 | C44 | H24 | 0.2° | 0.6° |
| C40 | C39 | C45 | H25 | 0.2° | 0.0° |
| N04 | C40 | C39 | N03 | 0.2° | 3.0° |
| C40 | N04 | C41 | C42 | 0.7° | 0.0° |
| C40 | N04 | C41 | IR50 | 179.4° | 177.0° |
| C40 | N04 | IR50 | N03 | 0.2° | 1.7° |
| C40 | N04 | IR50 | N02 | 71.1° | 72.4° |
| C40 | N04 | IR50 | C15 | 173.3° | 167.8° |
| C40 | N04 | IR50 | N01 | 110.4° | 110.1° |
| C40 | N04 | IR50 | C22 | 50.7° | 67.9° |
| C40 | N04 | C41 | H21 | 179.3° | 179.5° |
| N04 | C40 | C44 | H24 | 179.9° | 179.9° |
| C39 | N03 | C48 | C47 | 1.4° | 0.1° |
| C39 | N03 | IR50 | N04 | 0.3° | 0.0° |
| C39 | N03 | C48 | IR50 | 178.8° | 178.1° |
| C39 | N03 | IR50 | N02 | 110.6° | 109.1° |
| C39 | N03 | IR50 | C15 | 24.2° | 59.7° |
| C39 | N03 | IR50 | N01 | 72.3° | 74.6° |
| C39 | N03 | IR50 | C22 | 170.2° | 169.3° |
| N03 | C39 | C45 | H25 | 179.8° | 180.0° |
| C39 | N03 | C48 | H27 | 178.6° | 179.5° |
| C42 | C41 | N04 | H21 | 180.0° | 179.5° |
| C42 | C41 | N04 | IR50 | 180.0° | 177.0° |
| C41 | C42 | C43 | H23 | 179.8° | 179.9° |
| C30 | N02 | IR50 | N04 | 10.5° | 6.4° |
| C30 | N02 | IR50 | N03 | 81.5° | 76.2° |
| C30 | N02 | C26 | IR50 | 180.0° | 171.8° |
| C30 | N02 | C26 | C27 | 0.2° | 2.4° |
| C30 | N02 | C26 | C25 | 180.0° | 179.6° |
| C30 | N02 | IR50 | C15 | 81.1° | 94.8° |
| C30 | N02 | IR50 | N01 | 146.8° | 145.6° |
| C30 | N02 | IR50 | C22 | 180.0° | 179.1° |
| N02 | C30 | C31 | H13 | 0.1° | 1.0° |
| C47 | C49 | N53 | H28 | 120.3° | 120.9° |
| C47 | C49 | N53 | H29 | 120.3° | 122.0° |
| C47 | C49 | N53 | C54 | 74.9° | 71.7° |
| C49 | C47 | C48 | N03 | 179.6° | 179.6° |
| C49 | C47 | C46 | H26 | 0.8° | 0.2° |
| C49 | C47 | C48 | H27 | 0.4° | 0.0° |
| C47 | C49 | H28 | H29 | 119.2° | 118.8° |
| C47 | C49 | N53 | H38 | 105.1° | 108.7° |
| C48 | C47 | C49 | N53 | 127.7° | 121.4° |
| C47 | C48 | N03 | H27 | 180.0° | 179.6° |
| C47 | C48 | N03 | IR50 | 179.7° | 178.2° |
| C48 | C47 | C46 | H26 | 178.9° | 179.8° |
| C48 | C47 | C49 | H28 | 7.4° | 117.7° |
| C48 | C47 | C49 | H29 | 112.0° | 0.1° |
| C28 | C27 | C26 | N02 | 0.2° | 1.5° |
| C28 | C27 | C26 | H11 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 180.0° | 179.4° |
| C49 | N53 | C54 | H38 | 180.0° | 179.6° |
| C49 | N53 | C54 | C55 | 177.8° | 171.6° |
| C49 | N53 | C54 | O57 | 0.8° | 8.7° |
| N53 | C49 | H28 | H29 | 119.1° | 117.9° |
| N53 | C54 | C55 | C56 | 72.3° | 88.1° |
| N53 | C54 | C55 | O57 | 178.7° | 179.7° |
| C54 | N53 | C49 | H28 | 45.4° | 167.4° |
| C54 | N53 | C49 | H29 | 164.8° | 50.3° |
| N53 | C54 | C55 | H30 | 48.4° | 151.2° |
| N53 | C54 | C55 | H31 | 167.0° | 33.2° |
| C58 | C56 | C55 | H32 | 121.8° | 122.2° |
| C58 | C56 | C55 | H33 | 121.8° | 122.0° |
| C58 | C56 | C55 | C54 | 163.7° | 175.2° |
| C56 | C58 | C63 | C62 | 180.0° | 179.9° |
| C58 | C56 | C55 | H30 | 75.6° | 54.6° |
| C58 | C56 | C55 | H31 | 43.0° | 63.6° |
| C58 | C56 | H32 | H33 | 114.1° | 117.7° |
| C56 | C58 | C59 | H34 | 0.0° | 0.2° |
| C56 | C58 | C63 | H37 | 0.0° | 0.3° |
| C55 | C56 | C58 | C63 | 38.9° | 88.0° |
| C56 | C55 | C54 | H30 | 120.7° | 120.7° |
| C56 | C55 | C54 | H31 | 120.7° | 121.3° |
| C56 | C55 | C54 | O57 | 106.4° | 92.2° |
| C56 | C55 | H30 | H31 | 117.8° | 118.9° |
| C55 | C56 | H32 | H33 | 114.1° | 116.8° |
| C58 | C63 | C62 | N61 | 0.2° | 0.2° |
| C58 | C63 | C62 | H37 | 180.0° | 179.8° |
| C63 | C58 | C56 | H32 | 82.9° | 150.2° |
| C63 | C58 | C56 | H33 | 160.7° | 33.7° |
| C63 | C58 | C59 | H34 | 179.6° | 179.8° |
| C58 | C63 | C62 | H36 | 179.8° | 179.8° |
| N61 | C62 | C63 | H36 | 180.0° | 180.0° |
| C62 | N61 | C60 | H35 | 179.8° | 180.0° |
| N61 | C62 | C63 | H37 | 179.8° | 180.0° |
| C41 | N04 | IR50 | N03 | 179.2° | 178.7° |
| C41 | N04 | IR50 | N02 | 108.3° | 104.6° |
| C41 | N04 | IR50 | C15 | 6.0° | 9.2° |
| C41 | N04 | IR50 | N01 | 70.3° | 72.9° |
| C41 | N04 | IR50 | C22 | 129.9° | 115.2° |
| N04 | C41 | C42 | H22 | 179.3° | 180.0° |
| N04 | IR50 | N03 | C48 | 179.1° | 178.2° |
| N04 | IR50 | N03 | N02 | 110.3° | 109.0° |
| N04 | IR50 | N03 | C15 | 23.9° | 59.7° |
| N04 | IR50 | N03 | N01 | 72.6° | 74.6° |
| N04 | IR50 | N03 | C22 | 170.5° | 169.3° |
| N04 | IR50 | N02 | C26 | 169.5° | 163.7° |
| N04 | IR50 | N02 | C15 | 91.6° | 101.2° |
| N04 | IR50 | N02 | N01 | 157.3° | 152.0° |
| N04 | IR50 | N02 | C22 | 169.5° | 172.7° |
| N04 | IR50 | C15 | N01 | 77.9° | 78.5° |
| N04 | IR50 | C15 | C22 | 171.4° | 170.6° |
| N04 | IR50 | N01 | C22 | 169.4° | 172.3° |
| N04 | IR50 | C15 | C16 | 102.0° | 98.7° |
| N04 | IR50 | C15 | C14 | 77.8° | 71.4° |
| N04 | IR50 | C22 | C25 | 124.0° | 134.4° |
| N04 | IR50 | N01 | C09 | 88.8° | 79.7° |
| N04 | IR50 | N01 | C05 | 90.9° | 94.1° |
| N04 | IR50 | C22 | C23 | 55.9° | 38.6° |
| IR50 | N04 | C41 | H21 | 0.0° | 2.5° |
| C48 | N03 | IR50 | N02 | 70.6° | 72.8° |
| C48 | N03 | IR50 | C15 | 157.0° | 122.1° |
| C48 | N03 | IR50 | N01 | 106.5° | 103.6° |
| C48 | N03 | IR50 | C22 | 8.6° | 8.8° |
| N03 | IR50 | N02 | C26 | 98.5° | 94.0° |
| N03 | IR50 | N02 | C15 | 162.6° | 171.0° |
| N03 | IR50 | N02 | N01 | 131.7° | 138.2° |
| N03 | IR50 | N02 | C22 | 98.5° | 102.9° |
| N03 | IR50 | C15 | N01 | 101.1° | 135.8° |
| N03 | IR50 | C15 | C22 | 165.4° | 132.1° |
| N03 | IR50 | N01 | C22 | 98.0° | 102.4° |
| N03 | IR50 | C15 | C16 | 78.9° | 41.4° |
| N03 | IR50 | C15 | C14 | 101.0° | 128.6° |
| N03 | IR50 | C22 | C25 | 74.8° | 70.9° |
| N03 | IR50 | N01 | C09 | 17.4° | 9.7° |
| N03 | IR50 | N01 | C05 | 162.4° | 164.1° |
| N03 | IR50 | C22 | C23 | 105.1° | 102.2° |
| IR50 | N03 | C48 | H27 | 0.2° | 1.4° |
| N02 | C26 | C27 | C25 | 179.8° | 177.9° |
| C26 | N02 | IR50 | C15 | 98.9° | 95.1° |
| C26 | N02 | IR50 | N01 | 33.2° | 44.3° |
| C26 | N02 | IR50 | C22 | 0.0° | 9.0° |
| N02 | C26 | C25 | C22 | 0.1° | 2.7° |
| N02 | C26 | C25 | S52 | 179.9° | 177.7° |
| N02 | C26 | C27 | H11 | 179.8° | 178.6° |
| IR50 | N02 | C26 | C27 | 179.8° | 169.5° |
| IR50 | N02 | C26 | C25 | 0.0° | 8.5° |
| N02 | IR50 | C15 | N01 | 176.5° | 175.9° |
| N02 | IR50 | C15 | C22 | 83.0° | 83.9° |
| N02 | IR50 | N01 | C22 | 32.9° | 35.1° |
| N02 | IR50 | C15 | C16 | 3.5° | 6.9° |
| N02 | IR50 | C15 | C14 | 176.6° | 176.9° |
| N02 | IR50 | C22 | C25 | 0.0° | 7.1° |
| N02 | IR50 | N01 | C09 | 113.6° | 127.7° |
| N02 | IR50 | N01 | C05 | 66.7° | 58.4° |
| N02 | IR50 | C22 | C23 | 180.0° | 179.8° |
| C54 | C55 | H30 | H31 | 117.9° | 118.5° |
| C54 | C55 | C56 | H32 | 41.9° | 62.7° |
| C54 | C55 | C56 | H33 | 74.5° | 53.2° |
| C55 | C54 | N53 | H38 | 2.2° | 8.8° |
| O57 | C54 | C55 | H30 | 132.9° | 28.5° |
| O57 | C54 | C55 | H31 | 14.3° | 146.5° |
| O57 | C54 | N53 | H38 | 179.2° | 170.9° |
| C27 | C26 | C25 | C22 | 179.9° | 175.3° |
| C27 | C26 | C25 | S52 | 0.1° | 4.3° |
| C26 | C27 | C28 | H12 | 179.9° | 179.1° |
| C26 | C25 | C22 | IR50 | 0.1° | 5.0° |
| C26 | C25 | C22 | S52 | 180.0° | 179.6° |
| C26 | C25 | C22 | C23 | 180.0° | 179.9° |
| C26 | C25 | S52 | C24 | 180.0° | 179.9° |
| C25 | C26 | C27 | H11 | 0.0° | 0.7° |
| C21 | C20 | C19 | H9 | 180.0° | 180.0° |
| C20 | C21 | C16 | H10 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C20 | C21 | C16 | C15 | 179.9° | 179.8° |
| C20 | C21 | C16 | C17 | 0.1° | 0.0° |
| C21 | C20 | C19 | H8 | 180.0° | 180.0° |
| C19 | C20 | C21 | C16 | 0.1° | 0.0° |
| C20 | C19 | C18 | H8 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.0° | 0.1° |
| C20 | C19 | C18 | H7 | 180.0° | 180.0° |
| C19 | C20 | C21 | H10 | 179.9° | 179.8° |
| C21 | C16 | C15 | IR50 | 0.3° | 11.1° |
| C21 | C16 | C15 | C17 | 180.0° | 179.8° |
| C21 | C16 | C15 | C14 | 179.8° | 179.3° |
| C21 | C16 | C17 | C18 | 0.0° | 0.1° |
| C21 | C16 | C17 | S51 | 180.0° | 180.0° |
| C16 | C21 | C20 | H9 | 179.9° | 180.0° |
| C15 | IR50 | N01 | C22 | 99.4° | 86.2° |
| IR50 | C15 | C16 | C14 | 179.9° | 169.6° |
| IR50 | C15 | C16 | C17 | 179.7° | 168.7° |
| C15 | IR50 | C22 | C25 | 101.0° | 100.1° |
| C15 | IR50 | N01 | C09 | 179.9° | 178.9° |
| C15 | IR50 | N01 | C05 | 0.2° | 7.3° |
| C15 | IR50 | C22 | C23 | 79.1° | 86.8° |
| IR50 | C15 | C14 | C05 | 0.0° | 6.7° |
| IR50 | C15 | C14 | S51 | 179.6° | 171.6° |
| IR50 | N01 | C09 | C10 | 0.5° | 7.6° |
| N01 | IR50 | C15 | C16 | 180.0° | 177.2° |
| N01 | IR50 | C15 | C14 | 0.1° | 7.2° |
| N01 | IR50 | C22 | C25 | 178.0° | 175.9° |
| IR50 | N01 | C09 | C05 | 179.7° | 173.5° |
| IR50 | N01 | C09 | C08 | 179.8° | 172.4° |
| N01 | IR50 | C22 | C23 | 2.1° | 2.8° |
| IR50 | N01 | C05 | C14 | 0.2° | 5.6° |
| IR50 | N01 | C05 | C06 | 179.6° | 173.6° |
| C22 | IR50 | C15 | C16 | 86.5° | 90.7° |
| C22 | IR50 | C15 | C14 | 93.6° | 99.2° |
| IR50 | C22 | C25 | C23 | 180.0° | 175.1° |
| IR50 | C22 | C25 | S52 | 179.9° | 174.6° |
| C22 | IR50 | N01 | C09 | 80.6° | 92.6° |
| C22 | IR50 | N01 | C05 | 99.6° | 93.5° |
| IR50 | C22 | C23 | C24 | 179.9° | 172.4° |
| IR50 | C22 | C23 | C38 | 0.2° | 7.4° |
| C11 | C10 | C09 | H3 | 180.0° | 179.1° |
| C10 | C11 | C12 | H4 | 180.0° | 179.9° |
| C11 | C10 | C09 | N01 | 179.9° | 179.9° |
| C11 | C10 | C09 | C08 | 0.4° | 0.1° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H5 | 179.9° | 179.8° |
| C09 | C10 | C11 | C12 | 0.3° | 0.2° |
| C10 | C09 | N01 | C08 | 179.7° | 179.9° |
| C10 | C09 | N01 | C05 | 179.7° | 179.0° |
| C10 | C09 | C08 | C13 | 0.3° | 0.2° |
| C10 | C09 | C08 | C07 | 179.9° | 179.9° |
| C09 | C10 | C11 | H4 | 179.7° | 179.9° |
| C11 | C12 | C13 | H5 | 180.0° | 179.8° |
| C11 | C12 | C13 | C08 | 0.0° | 0.4° |
| C12 | C11 | C10 | H3 | 179.7° | 179.3° |
| C11 | C12 | C13 | H6 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.1° | 0.1° |
| C19 | C18 | C17 | H7 | 180.0° | 179.9° |
| C19 | C18 | C17 | S51 | 180.0° | 179.9° |
| C18 | C19 | C20 | H9 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 180.0° | 179.8° |
| C15 | C16 | C17 | S51 | 0.0° | 0.2° |
| C16 | C15 | C14 | C05 | 179.9° | 179.6° |
| C16 | C15 | C14 | S51 | 0.3° | 1.2° |
| C15 | C16 | C21 | H10 | 0.1° | 0.4° |
| C17 | C16 | C15 | C14 | 0.2° | 0.9° |
| C16 | C17 | C18 | S51 | 180.0° | 180.0° |
| C16 | C17 | S51 | C14 | 0.1° | 0.4° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C17 | C16 | C21 | H10 | 179.9° | 179.7° |
| C15 | C14 | C05 | N01 | 0.1° | 0.7° |
| C15 | C14 | S51 | C17 | 0.2° | 0.9° |
| C15 | C14 | C05 | S51 | 179.5° | 178.1° |
| C15 | C14 | C05 | C06 | 179.7° | 179.8° |
| C22 | C25 | S52 | C24 | 0.0° | 0.3° |
| C25 | C22 | C23 | C24 | 0.1° | 0.4° |
| C25 | C22 | C23 | C38 | 179.9° | 179.7° |
| S52 | C25 | C22 | C23 | 0.0° | 0.5° |
| C25 | S52 | C24 | C23 | 0.0° | 0.1° |
| C25 | S52 | C24 | C35 | 180.0° | 179.9° |
| C09 | N01 | C05 | C14 | 180.0° | 179.5° |
| C09 | N01 | C05 | C06 | 0.1° | 1.4° |
| N01 | C09 | C08 | C13 | 180.0° | 179.7° |
| N01 | C09 | C08 | C07 | 0.2° | 0.2° |
| N01 | C09 | C10 | H3 | 0.1° | 0.8° |
| C05 | N01 | C09 | C08 | 0.0° | 1.1° |
| N01 | C05 | C14 | C06 | 179.9° | 179.2° |
| N01 | C05 | C14 | S51 | 179.7° | 177.4° |
| N01 | C05 | C06 | C07 | 0.1° | 0.8° |
| N01 | C05 | C06 | H1 | 179.9° | 179.2° |
| C09 | C08 | C13 | C12 | 0.1° | 0.5° |
| C09 | C08 | C13 | C07 | 179.9° | 179.9° |
| C09 | C08 | C07 | C06 | 0.2° | 0.4° |
| C09 | C08 | C07 | H2 | 179.9° | 179.7° |
| C08 | C09 | C10 | H3 | 179.6° | 179.2° |
| C09 | C08 | C13 | H6 | 179.9° | 179.8° |
| C12 | C13 | C08 | H6 | 180.0° | 179.3° |
| C12 | C13 | C08 | C07 | 180.0° | 179.6° |
| C13 | C12 | C11 | H4 | 179.9° | 179.8° |
| C22 | C23 | C24 | S52 | 0.1° | 0.2° |
| C22 | C23 | C24 | C38 | 180.0° | 179.9° |
| C22 | C23 | C24 | C35 | 180.0° | 179.8° |
| C22 | C23 | C38 | C37 | 179.9° | 179.9° |
| C22 | C23 | C38 | H20 | 0.1° | 0.4° |
| C18 | C17 | S51 | C14 | 179.9° | 179.6° |
| C17 | C18 | C19 | H8 | 179.9° | 180.0° |
| C17 | S51 | C14 | C05 | 179.7° | 179.2° |
| S51 | C17 | C18 | H7 | 0.0° | 0.0° |
| C14 | C05 | C06 | C07 | 180.0° | 179.9° |
| C14 | C05 | C06 | H1 | 0.0° | 0.1° |
| S51 | C14 | C05 | C06 | 0.2° | 1.8° |
| C05 | C06 | C07 | C08 | 0.0° | 0.2° |
| C05 | C06 | C07 | H1 | 180.0° | 180.0° |
| C05 | C06 | C07 | H2 | 180.0° | 179.5° |
| C13 | C08 | C07 | C06 | 180.0° | 179.6° |
| C13 | C08 | C07 | H2 | 0.0° | 0.3° |
| C08 | C13 | C12 | H5 | 180.0° | 179.8° |
| C08 | C07 | C06 | H2 | 180.0° | 179.3° |
| C08 | C07 | C06 | H1 | 180.0° | 179.8° |
| C07 | C08 | C13 | H6 | 0.0° | 0.3° |
| S52 | C24 | C23 | C35 | 179.9° | 180.0° |
| S52 | C24 | C23 | C38 | 179.9° | 180.0° |
| S52 | C24 | C35 | C36 | 179.9° | 179.9° |
| S52 | C24 | C35 | H17 | 0.1° | 0.0° |
| C24 | C23 | C38 | C37 | 0.1° | 0.0° |
| C23 | C24 | C35 | C36 | 0.0° | 0.1° |
| C23 | C24 | C35 | H17 | 180.0° | 180.0° |
| C24 | C23 | C38 | H20 | 179.9° | 179.8° |
| C38 | C23 | C24 | C35 | 0.1° | 0.0° |
| C23 | C38 | C37 | H20 | 180.0° | 179.8° |
| C23 | C38 | C37 | C36 | 0.1° | 0.1° |
| C23 | C38 | C37 | H19 | 179.9° | 180.0° |
| C24 | C35 | C36 | H17 | 180.0° | 179.9° |
| C24 | C35 | C36 | C37 | 0.0° | 0.1° |
| C24 | C35 | C36 | H18 | 179.9° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.0° |
| C38 | C37 | C36 | H19 | 180.0° | 180.0° |
| C38 | C37 | C36 | H18 | 179.9° | 179.9° |
| C35 | C36 | C37 | H18 | 180.0° | 179.9° |
| C35 | C36 | C37 | H19 | 179.9° | 180.0° |
| C37 | C36 | C35 | H17 | 180.0° | 180.0° |
| C36 | C37 | C38 | H20 | 179.9° | 179.8° |
| H1 | C06 | C07 | H2 | 0.0° | 0.5° |
| H3 | C10 | C11 | H4 | 0.3° | 0.8° |
| H4 | C11 | C12 | H5 | 0.1° | 0.0° |
| H5 | C12 | C13 | H6 | 0.0° | 0.5° |
| H7 | C18 | C19 | H8 | 0.0° | 0.1° |
| H8 | C19 | C20 | H9 | 0.0° | 0.0° |
| H9 | C20 | C21 | H10 | 0.1° | 0.3° |
| H11 | C27 | C28 | H12 | 0.1° | 0.7° |
| H13 | C31 | C32 | H14 | 0.4° | 1.0° |
| H14 | C32 | C33 | H15 | 0.2° | 0.0° |
| H15 | C33 | C34 | H16 | 0.0° | 0.5° |
| H17 | C35 | C36 | H18 | 0.1° | 0.1° |
| H18 | C36 | C37 | H19 | 0.1° | 0.0° |
| H19 | C37 | C38 | H20 | 0.1° | 0.2° |
| H21 | C41 | C42 | H22 | 0.6° | 0.4° |
| H22 | C42 | C43 | H23 | 0.3° | 0.0° |
| H23 | C43 | C44 | H24 | 0.1° | 0.3° |
| H25 | C45 | C46 | H26 | 0.4° | 0.1° |
| H28 | C49 | N53 | H38 | 134.6° | 12.2° |
| H29 | C49 | N53 | H38 | 15.2° | 129.3° |
| H30 | C55 | C56 | H32 | 162.6° | 176.8° |
| H30 | C55 | C56 | H33 | 46.2° | 67.3° |
| H31 | C55 | C56 | H32 | 78.8° | 58.6° |
| H31 | C55 | C56 | H33 | 164.8° | 174.4° |
| H34 | C59 | C60 | H35 | 0.3° | 0.1° |
| H36 | C62 | C63 | H37 | 0.2° | 0.0° |






