X4E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C58 | doub | 1.37Å | 1.40Å | Aromatic |
| C06 | N57 | sing | 1.33Å | 1.34Å | Aromatic |
| C07 | C08 | doub | 1.43Å | 1.38Å | Aromatic |
| C07 | C16 | sing | 1.53Å | 1.34Å | |
| C07 | N01 | sing | 1.28Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.37Å | 1.36Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | N01 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.37Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.34Å | Aromatic |
| C16 | S62 | sing | 1.75Å | 1.81Å | Aromatic |
| C17 | C18 | sing | 1.46Å | 1.42Å | Aromatic |
| C17 | IR61 | sing | 1.95Å | 2.29Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | S62 | sing | 1.76Å | 1.80Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.50Å | 1.43Å | Aromatic |
| C24 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | IR61 | sing | 2.04Å | 2.12Å | |
| C25 | C26 | doub | 1.41Å | 1.41Å | Aromatic |
| C25 | C40 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C37 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | S63 | sing | 1.75Å | 1.81Å | Aromatic |
| C27 | C28 | sing | 1.48Å | 1.41Å | |
| C27 | S63 | sing | 1.75Å | 1.80Å | Aromatic |
| C28 | C29 | doub | 1.42Å | 1.40Å | Aromatic |
| C28 | N02 | sing | 1.35Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.36Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.42Å | 1.41Å | Aromatic |
| C31 | C36 | sing | 1.42Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.43Å | 1.41Å | Aromatic |
| C32 | N02 | doub | 1.48Å | 1.35Å | Aromatic |
| C33 | C34 | doub | 1.36Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.36Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.37Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C39 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.48Å | 1.39Å | |
| C41 | C47 | doub | 1.40Å | 1.42Å | Aromatic |
| C41 | N03 | sing | 1.34Å | 1.36Å | Aromatic |
| C42 | C46 | doub | 1.39Å | 1.39Å | Aromatic |
| C42 | N04 | sing | 1.35Å | 1.34Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | N04 | doub | 1.35Å | 1.35Å | Aromatic |
| C44 | C45 | doub | 1.37Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C47 | C48 | sing | 1.38Å | 1.39Å | Aromatic |
| C48 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
| C49 | C50 | sing | 1.38Å | 1.38Å | Aromatic |
| C49 | C51 | sing | 1.52Å | 1.40Å | |
| C50 | N03 | doub | 1.34Å | 1.34Å | Aromatic |
| C51 | N05 | sing | 1.47Å | 1.47Å | |
| C52 | C53 | sing | 1.53Å | 1.39Å | |
| C52 | N05 | sing | 1.34Å | 1.47Å | |
| C52 | O60 | doub | 1.24Å | 1.20Å | |
| C53 | C54 | sing | 1.55Å | 1.39Å | |
| C54 | C55 | sing | 1.54Å | 1.40Å | |
| C55 | C56 | sing | 1.39Å | 1.40Å | Aromatic |
| C55 | C59 | doub | 1.39Å | 1.40Å | Aromatic |
| C56 | N57 | doub | 1.34Å | 1.34Å | Aromatic |
| C58 | C59 | sing | 1.38Å | 1.39Å | Aromatic |
| N01 | IR61 | sing | 2.34Å | 1.96Å | |
| N02 | IR61 | sing | 2.51Å | 1.83Å | |
| IR61 | N03 | sing | 2.32Å | 2.52Å | |
| C06 | H1 | sing | 0.94Å | 1.08Å | |
| C08 | H2 | sing | 0.96Å | 1.08Å | |
| C09 | H3 | sing | 0.94Å | 1.08Å | |
| C12 | H4 | sing | 0.94Å | 1.08Å | |
| C13 | H5 | sing | 0.94Å | 1.08Å | |
| C14 | H6 | sing | 0.94Å | 1.08Å | |
| C15 | H7 | sing | 0.94Å | 1.08Å | |
| C20 | H8 | sing | 0.94Å | 1.08Å | |
| C21 | H9 | sing | 0.94Å | 1.08Å | |
| C22 | H10 | sing | 0.94Å | 1.08Å | |
| C23 | H11 | sing | 0.94Å | 1.08Å | |
| C29 | H12 | sing | 0.96Å | 1.08Å | |
| C30 | H13 | sing | 0.94Å | 1.08Å | |
| C33 | H14 | sing | 0.92Å | 1.08Å | |
| C34 | H15 | sing | 0.94Å | 1.08Å | |
| C35 | H16 | sing | 0.94Å | 1.08Å | |
| C36 | H17 | sing | 0.94Å | 1.08Å | |
| C37 | H18 | sing | 0.94Å | 1.08Å | |
| C38 | H19 | sing | 0.94Å | 1.08Å | |
| C39 | H20 | sing | 0.94Å | 1.08Å | |
| C40 | H21 | sing | 0.94Å | 1.08Å | |
| C43 | H22 | sing | 0.94Å | 1.08Å | |
| C44 | H23 | sing | 0.94Å | 1.08Å | |
| C45 | H24 | sing | 0.94Å | 1.08Å | |
| C46 | H25 | sing | 0.94Å | 1.08Å | |
| C47 | H26 | sing | 0.94Å | 1.08Å | |
| C48 | H27 | sing | 0.94Å | 1.08Å | |
| C50 | H28 | sing | 0.92Å | 1.08Å | |
| C51 | H29 | sing | 0.98Å | 1.10Å | |
| C51 | H30 | sing | 0.98Å | 1.10Å | |
| C53 | H31 | sing | 0.97Å | 1.10Å | |
| C53 | H32 | sing | 0.97Å | 1.10Å | |
| C54 | H33 | sing | 0.98Å | 1.10Å | |
| C54 | H34 | sing | 0.98Å | 1.10Å | |
| C56 | H35 | sing | 0.94Å | 1.08Å | |
| C58 | H36 | sing | 0.94Å | 1.08Å | |
| C59 | H37 | sing | 0.94Å | 1.08Å | |
| N05 | H38 | sing | 0.89Å | 1.00Å | |
| IR61 | N04 | sing | 2.15Å | 2.59Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C58 | C06 | N57 | 117.2° | 122.9° |
| C06 | C58 | C59 | 121.5° | 119.0° |
| C58 | C06 | H1 | 121.4° | 118.8° |
| C06 | C58 | H36 | 119.2° | 120.5° |
| C06 | N57 | C56 | 124.1° | 117.3° |
| N57 | C06 | H1 | 121.4° | 118.3° |
| C08 | C07 | C16 | 114.9° | 137.6° |
| C08 | C07 | N01 | 130.5° | 117.5° |
| C07 | C08 | C09 | 120.1° | 121.9° |
| C07 | C08 | H2 | 119.9° | 119.6° |
| C16 | C07 | N01 | 114.6° | 101.6° |
| C07 | C16 | C17 | 105.1° | 127.2° |
| C07 | C16 | S62 | 133.4° | 129.7° |
| C07 | N01 | C11 | 107.1° | 121.2° |
| C07 | N01 | IR61 | 131.1° | 61.2° |
| C08 | C09 | C10 | 115.0° | 118.7° |
| C09 | C08 | H2 | 119.9° | 117.9° |
| C08 | C09 | H3 | 122.5° | 120.7° |
| C09 | C10 | C11 | 122.9° | 116.8° |
| C09 | C10 | C15 | 115.3° | 123.3° |
| C10 | C09 | H3 | 122.5° | 120.6° |
| C11 | C10 | C15 | 121.8° | 119.9° |
| C10 | C11 | C12 | 111.8° | 118.4° |
| C10 | C11 | N01 | 124.3° | 121.4° |
| C10 | C15 | C14 | 124.9° | 120.1° |
| C10 | C15 | H7 | 117.5° | 120.0° |
| C12 | C11 | N01 | 123.9° | 120.2° |
| C11 | C12 | C13 | 125.8° | 120.5° |
| C11 | C12 | H4 | 117.1° | 119.6° |
| C11 | N01 | IR61 | 121.5° | 127.9° |
| C12 | C13 | C14 | 121.9° | 120.9° |
| C13 | C12 | H4 | 117.1° | 120.0° |
| C12 | C13 | H5 | 119.0° | 119.4° |
| C13 | C14 | C15 | 113.8° | 120.2° |
| C14 | C13 | H5 | 119.1° | 119.7° |
| C13 | C14 | H6 | 123.1° | 119.8° |
| C15 | C14 | H6 | 123.1° | 119.9° |
| C14 | C15 | H7 | 117.6° | 119.8° |
| C17 | C16 | S62 | 121.4° | 102.9° |
| C16 | C17 | C18 | 106.7° | 120.9° |
| C16 | C17 | IR61 | 125.0° | 69.3° |
| C16 | S62 | C19 | 83.4° | 97.5° |
| C18 | C17 | IR61 | 128.2° | 141.0° |
| C17 | C18 | C19 | 114.8° | 109.0° |
| C17 | C18 | C23 | 126.5° | 130.5° |
| C17 | IR61 | C24 | 153.4° | 82.9° |
| C17 | IR61 | N01 | 64.0° | 102.2° |
| C17 | IR61 | N02 | 114.4° | 41.7° |
| C17 | IR61 | N03 | 101.5° | 107.9° |
| C17 | IR61 | N04 | 62.8° | 162.1° |
| C19 | C18 | C23 | 118.7° | 120.5° |
| C18 | C19 | C20 | 121.5° | 121.0° |
| C18 | C19 | S62 | 113.6° | 109.4° |
| C18 | C23 | C22 | 119.9° | 118.5° |
| C18 | C23 | H11 | 120.1° | 121.0° |
| C20 | C19 | S62 | 124.9° | 129.5° |
| C19 | C20 | C21 | 118.9° | 118.1° |
| C19 | C20 | H8 | 120.5° | 120.9° |
| C20 | C21 | C22 | 120.3° | 121.0° |
| C21 | C20 | H8 | 120.5° | 121.0° |
| C20 | C21 | H9 | 119.9° | 119.5° |
| C21 | C22 | C23 | 120.8° | 120.9° |
| C22 | C21 | H9 | 119.9° | 119.4° |
| C21 | C22 | H10 | 119.6° | 119.5° |
| C23 | C22 | H10 | 119.6° | 119.6° |
| C22 | C23 | H11 | 120.1° | 120.5° |
| C25 | C24 | C27 | 115.9° | 113.7° |
| C25 | C24 | IR61 | 146.3° | 136.5° |
| C24 | C25 | C26 | 110.8° | 110.1° |
| C24 | C25 | C40 | 129.9° | 131.0° |
| C27 | C24 | IR61 | 97.1° | 105.9° |
| C24 | C27 | C28 | 122.4° | 125.2° |
| C24 | C27 | S63 | 110.5° | 110.6° |
| C24 | IR61 | N01 | 101.1° | 170.6° |
| C24 | IR61 | N02 | 92.2° | 80.6° |
| C24 | IR61 | N03 | 78.6° | 105.9° |
| C24 | IR61 | N04 | 96.6° | 81.3° |
| C26 | C25 | C40 | 119.3° | 118.9° |
| C25 | C26 | C37 | 121.6° | 122.0° |
| C25 | C26 | S63 | 113.0° | 112.2° |
| C25 | C40 | C39 | 119.0° | 119.0° |
| C25 | C40 | H21 | 120.5° | 120.7° |
| C37 | C26 | S63 | 125.4° | 125.8° |
| C26 | C37 | C38 | 118.4° | 118.0° |
| C26 | C37 | H18 | 120.8° | 120.9° |
| C26 | S63 | C27 | 89.6° | 93.3° |
| C28 | C27 | S63 | 127.0° | 124.0° |
| C27 | C28 | C29 | 124.0° | 116.7° |
| C27 | C28 | N02 | 120.3° | 120.2° |
| C29 | C28 | N02 | 115.7° | 123.0° |
| C28 | C29 | C30 | 121.6° | 122.1° |
| C28 | C29 | H12 | 119.2° | 119.4° |
| C28 | N02 | C32 | 125.1° | 114.8° |
| C28 | N02 | IR61 | 107.7° | 96.0° |
| C29 | C30 | C31 | 120.5° | 119.4° |
| C30 | C29 | H12 | 119.2° | 118.4° |
| C29 | C30 | H13 | 119.7° | 120.4° |
| C30 | C31 | C32 | 117.6° | 118.7° |
| C30 | C31 | C36 | 124.1° | 120.6° |
| C31 | C30 | H13 | 119.7° | 120.3° |
| C32 | C31 | C36 | 118.3° | 120.7° |
| C31 | C32 | C33 | 118.9° | 115.5° |
| C31 | C32 | N02 | 119.4° | 121.9° |
| C31 | C36 | C35 | 121.9° | 121.0° |
| C31 | C36 | H17 | 119.1° | 119.6° |
| C33 | C32 | N02 | 121.7° | 122.6° |
| C32 | C33 | C34 | 122.4° | 122.2° |
| C32 | C33 | H14 | 118.8° | 119.9° |
| C32 | N02 | IR61 | 127.2° | 142.4° |
| C33 | C34 | C35 | 118.0° | 120.9° |
| C34 | C33 | H14 | 118.8° | 117.9° |
| C33 | C34 | H15 | 121.0° | 119.4° |
| C34 | C35 | C36 | 120.5° | 119.8° |
| C35 | C34 | H15 | 120.9° | 119.7° |
| C34 | C35 | H16 | 119.8° | 120.1° |
| C36 | C35 | H16 | 119.7° | 120.2° |
| C35 | C36 | H17 | 119.1° | 119.4° |
| C37 | C38 | C39 | 120.5° | 120.9° |
| C38 | C37 | H18 | 120.8° | 121.1° |
| C37 | C38 | H19 | 119.8° | 119.5° |
| C38 | C39 | C40 | 121.2° | 121.3° |
| C39 | C38 | H19 | 119.7° | 119.7° |
| C38 | C39 | H20 | 119.4° | 119.3° |
| C40 | C39 | H20 | 119.4° | 119.4° |
| C39 | C40 | H21 | 120.5° | 120.3° |
| C42 | C41 | C47 | 121.3° | 125.2° |
| C42 | C41 | N03 | 115.4° | 112.6° |
| C41 | C42 | C46 | 124.5° | 124.4° |
| C41 | C42 | N04 | 112.5° | 112.9° |
| C47 | C41 | N03 | 123.2° | 122.1° |
| C41 | C47 | C48 | 121.5° | 118.8° |
| C41 | C47 | H26 | 119.3° | 121.0° |
| C41 | N03 | C50 | 111.7° | 116.7° |
| C41 | N03 | IR61 | 126.9° | 118.8° |
| C46 | C42 | N04 | 123.0° | 122.6° |
| C42 | C46 | C45 | 119.5° | 119.0° |
| C42 | C46 | H25 | 120.3° | 120.8° |
| C42 | N04 | C43 | 117.1° | 116.5° |
| C42 | N04 | IR61 | 126.8° | 125.3° |
| C44 | C43 | N04 | 123.4° | 124.0° |
| C43 | C44 | C45 | 118.5° | 118.6° |
| C44 | C43 | H22 | 118.3° | 118.3° |
| C43 | C44 | H23 | 120.7° | 120.7° |
| N04 | C43 | H22 | 118.3° | 117.7° |
| C43 | N04 | IR61 | 116.1° | 118.1° |
| C44 | C45 | C46 | 118.5° | 119.2° |
| C45 | C44 | H23 | 120.8° | 120.7° |
| C44 | C45 | H24 | 120.7° | 120.6° |
| C46 | C45 | H24 | 120.8° | 120.3° |
| C45 | C46 | H25 | 120.2° | 120.1° |
| C47 | C48 | C49 | 116.1° | 120.2° |
| C48 | C47 | H26 | 119.2° | 120.2° |
| C47 | C48 | H27 | 121.9° | 119.8° |
| C48 | C49 | C50 | 117.8° | 116.3° |
| C48 | C49 | C51 | 124.3° | 122.8° |
| C49 | C48 | H27 | 122.0° | 120.0° |
| C50 | C49 | C51 | 117.9° | 120.9° |
| C49 | C50 | N03 | 129.6° | 125.6° |
| C49 | C50 | H28 | 115.2° | 116.9° |
| C49 | C51 | N05 | 96.4° | 115.6° |
| C49 | C51 | H29 | 112.6° | 108.3° |
| C49 | C51 | H30 | 112.6° | 108.6° |
| C50 | N03 | IR61 | 121.1° | 123.2° |
| N03 | C50 | H28 | 115.2° | 117.3° |
| C51 | N05 | C52 | 125.2° | 127.8° |
| N05 | C51 | H29 | 112.6° | 108.4° |
| N05 | C51 | H30 | 112.6° | 108.4° |
| C51 | N05 | H38 | 117.4° | 113.3° |
| C53 | C52 | N05 | 121.2° | 118.1° |
| C53 | C52 | O60 | 121.0° | 120.1° |
| C52 | C53 | C54 | 114.8° | 117.0° |
| C52 | C53 | H31 | 108.1° | 108.5° |
| C52 | C53 | H32 | 108.1° | 107.7° |
| N05 | C52 | O60 | 117.8° | 121.8° |
| C52 | N05 | H38 | 117.4° | 118.9° |
| C53 | C54 | C55 | 109.2° | 116.8° |
| C54 | C53 | H31 | 108.1° | 107.9° |
| C54 | C53 | H32 | 108.1° | 108.0° |
| C53 | C54 | H33 | 109.5° | 108.2° |
| C53 | C54 | H34 | 109.5° | 108.2° |
| C54 | C55 | C56 | 120.4° | 122.7° |
| C54 | C55 | C59 | 121.6° | 121.6° |
| C55 | C54 | H33 | 109.5° | 108.3° |
| C55 | C54 | H34 | 109.5° | 108.5° |
| C56 | C55 | C59 | 118.0° | 115.7° |
| C55 | C56 | N57 | 120.5° | 124.7° |
| C55 | C56 | H35 | 119.8° | 118.1° |
| C55 | C59 | C58 | 118.7° | 120.3° |
| C55 | C59 | H37 | 120.7° | 119.5° |
| N57 | C56 | H35 | 119.8° | 117.2° |
| C59 | C58 | H36 | 119.3° | 120.5° |
| C58 | C59 | H37 | 120.6° | 120.2° |
| N01 | IR61 | N02 | 125.6° | 108.5° |
| N01 | IR61 | N03 | 146.3° | 65.1° |
| N01 | IR61 | N04 | 88.7° | 92.4° |
| N02 | IR61 | N03 | 87.8° | 148.8° |
| N02 | IR61 | N04 | 142.1° | 142.0° |
| N03 | IR61 | N04 | 58.3° | 68.8° |
| H29 | C51 | H30 | 109.5° | 107.2° |
| H31 | C53 | H32 | 109.5° | 107.4° |
| H33 | C54 | H34 | 109.4° | 106.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C58 | C06 | N57 | H1 | 180.0° | 180.0° |
| C06 | C58 | C59 | C55 | 0.4° | 0.5° |
| C58 | C06 | N57 | C56 | 0.2° | 0.1° |
| C06 | C58 | C59 | H36 | 180.0° | 180.0° |
| C06 | C58 | C59 | H37 | 179.6° | 179.9° |
| C06 | N57 | C56 | C55 | 0.1° | 0.6° |
| N57 | C06 | C58 | C59 | 0.4° | 0.0° |
| C06 | N57 | C56 | H35 | 179.9° | 179.7° |
| N57 | C06 | C58 | H36 | 179.6° | 180.0° |
| C08 | C07 | C16 | N01 | 178.3° | 157.4° |
| C07 | C08 | C09 | H2 | 180.0° | 171.1° |
| C07 | C08 | C09 | C10 | 0.2° | 6.4° |
| C08 | C07 | N01 | C11 | 3.7° | 18.8° |
| C08 | C07 | C16 | C17 | 178.7° | 35.9° |
| C08 | C07 | C16 | S62 | 1.1° | 137.3° |
| C08 | C07 | N01 | IR61 | 177.3° | 100.3° |
| C07 | C08 | C09 | H3 | 179.8° | 172.3° |
| C16 | C07 | C08 | C09 | 179.5° | 171.0° |
| C16 | C07 | N01 | C11 | 178.3° | 178.2° |
| C07 | C16 | C17 | S62 | 177.9° | 174.6° |
| C07 | C16 | C17 | C18 | 180.0° | 179.2° |
| C07 | C16 | C17 | IR61 | 3.1° | 42.9° |
| C07 | C16 | S62 | C19 | 178.9° | 177.9° |
| C16 | C07 | N01 | IR61 | 4.7° | 62.7° |
| C16 | C07 | C08 | H2 | 0.5° | 18.1° |
| N01 | C07 | C08 | C09 | 2.5° | 16.1° |
| C07 | N01 | C11 | C10 | 3.1° | 12.8° |
| C07 | N01 | C11 | C12 | 177.3° | 169.6° |
| C07 | N01 | C11 | IR61 | 174.4° | 76.0° |
| N01 | C07 | C16 | C17 | 0.4° | 121.5° |
| N01 | C07 | C16 | S62 | 177.2° | 65.4° |
| C07 | N01 | IR61 | C17 | 4.5° | 53.0° |
| C07 | N01 | IR61 | C24 | 161.1° | 175.4° |
| C07 | N01 | IR61 | N02 | 98.0° | 10.2° |
| C07 | N01 | IR61 | N03 | 75.0° | 157.3° |
| N01 | C07 | C08 | H2 | 177.5° | 172.9° |
| C07 | N01 | IR61 | N04 | 64.6° | 137.5° |
| C08 | C09 | C10 | H3 | 180.0° | 178.7° |
| C08 | C09 | C10 | C11 | 0.1° | 0.2° |
| C08 | C09 | C10 | C15 | 180.0° | 179.7° |
| C09 | C10 | C11 | C15 | 179.8° | 179.9° |
| C09 | C10 | C11 | C12 | 178.7° | 179.9° |
| C09 | C10 | C11 | N01 | 1.6° | 2.5° |
| C09 | C10 | C15 | C14 | 179.9° | 178.7° |
| C10 | C09 | C08 | H2 | 179.8° | 177.5° |
| C09 | C10 | C15 | H7 | 0.1° | 1.4° |
| C10 | C11 | C12 | N01 | 179.7° | 177.7° |
| C10 | C11 | C12 | C13 | 3.0° | 0.8° |
| C11 | C10 | C15 | C14 | 0.2° | 1.3° |
| C10 | C11 | N01 | IR61 | 177.5° | 63.2° |
| C11 | C10 | C09 | H3 | 179.9° | 178.9° |
| C10 | C11 | C12 | H4 | 177.0° | 179.9° |
| C11 | C10 | C15 | H7 | 179.8° | 178.5° |
| C15 | C10 | C11 | C12 | 1.5° | 0.0° |
| C15 | C10 | C11 | N01 | 178.3° | 177.6° |
| C10 | C15 | C14 | C13 | 0.2° | 1.6° |
| C10 | C15 | C14 | H7 | 180.0° | 177.2° |
| C15 | C10 | C09 | H3 | 0.0° | 1.0° |
| C10 | C15 | C14 | H6 | 179.8° | 179.1° |
| C11 | C12 | C13 | H4 | 180.0° | 179.1° |
| C11 | C12 | C13 | C14 | 3.3° | 0.4° |
| C12 | C11 | N01 | IR61 | 2.9° | 114.4° |
| C11 | C12 | C13 | H5 | 176.7° | 179.6° |
| N01 | C11 | C12 | C13 | 176.7° | 178.5° |
| C11 | N01 | IR61 | C17 | 177.4° | 161.8° |
| C11 | N01 | IR61 | C24 | 26.0° | 75.8° |
| C11 | N01 | IR61 | N02 | 74.8° | 119.0° |
| C11 | N01 | IR61 | N03 | 112.1° | 94.0° |
| N01 | C11 | C12 | H4 | 3.2° | 2.4° |
| C11 | N01 | IR61 | N04 | 122.5° | 28.7° |
| C12 | C13 | C14 | H5 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.6° | 0.8° |
| C12 | C13 | C14 | H6 | 178.4° | 179.9° |
| C13 | C14 | C15 | H6 | 180.0° | 179.3° |
| C14 | C13 | C12 | H4 | 176.7° | 179.5° |
| C13 | C14 | C15 | H7 | 179.8° | 178.9° |
| C15 | C14 | C13 | H5 | 178.4° | 179.2° |
| C16 | C17 | C18 | IR61 | 176.8° | 94.8° |
| C16 | C17 | C18 | C19 | 1.4° | 3.5° |
| C16 | C17 | C18 | C23 | 179.3° | 177.3° |
| C17 | C16 | S62 | C19 | 1.7° | 3.5° |
| C16 | C17 | IR61 | C24 | 64.5° | 174.2° |
| C16 | C17 | IR61 | N01 | 4.1° | 2.2° |
| C16 | C17 | IR61 | N02 | 115.3° | 101.9° |
| C16 | C17 | IR61 | N03 | 151.9° | 69.7° |
| C16 | C17 | IR61 | N04 | 106.9° | 145.9° |
| S62 | C16 | C17 | C18 | 2.1° | 4.6° |
| S62 | C16 | C17 | IR61 | 179.0° | 142.5° |
| C16 | S62 | C19 | C18 | 0.7° | 2.0° |
| C16 | S62 | C19 | C20 | 179.5° | 178.3° |
| C17 | C18 | C19 | C23 | 179.4° | 179.3° |
| C17 | C18 | C19 | C20 | 179.6° | 179.4° |
| C17 | C18 | C19 | S62 | 0.3° | 0.3° |
| C17 | C18 | C23 | C22 | 180.0° | 179.8° |
| C18 | C17 | IR61 | C24 | 119.2° | 60.3° |
| C18 | C17 | IR61 | N01 | 179.7° | 111.7° |
| C18 | C17 | IR61 | N02 | 61.0° | 144.1° |
| C18 | C17 | IR61 | N03 | 31.9° | 44.2° |
| C17 | C18 | C23 | H11 | 0.0° | 1.2° |
| C18 | C17 | IR61 | N04 | 76.8° | 32.0° |
| IR61 | C17 | C18 | C19 | 178.2° | 98.3° |
| IR61 | C17 | C18 | C23 | 2.5° | 82.5° |
| C17 | IR61 | C24 | C25 | 6.7° | 137.0° |
| C17 | IR61 | C24 | C27 | 175.2° | 67.8° |
| C17 | IR61 | C24 | N01 | 52.8° | 123.7° |
| C17 | IR61 | C24 | N02 | 179.8° | 42.0° |
| C17 | IR61 | C24 | N03 | 92.8° | 106.6° |
| C17 | IR61 | C24 | N04 | 37.1° | 171.5° |
| C17 | IR61 | N02 | C28 | 176.3° | 119.3° |
| C17 | IR61 | N02 | C32 | 2.5° | 94.6° |
| C17 | IR61 | N03 | C41 | 44.2° | 170.4° |
| C17 | IR61 | N04 | C42 | 123.0° | 84.2° |
| C17 | IR61 | N04 | C43 | 55.2° | 93.3° |
| C17 | IR61 | N03 | C50 | 129.6° | 23.1° |
| C17 | IR61 | N01 | N02 | 102.5° | 42.8° |
| C17 | IR61 | N01 | N03 | 70.5° | 104.2° |
| C17 | IR61 | N01 | N04 | 60.1° | 169.5° |
| C17 | IR61 | N02 | N03 | 101.6° | 15.4° |
| C17 | IR61 | N02 | N04 | 76.5° | 152.4° |
| C17 | IR61 | N03 | N04 | 47.6° | 161.3° |
| C18 | C19 | C20 | S62 | 179.8° | 179.7° |
| C18 | C19 | C20 | C21 | 0.1° | 0.5° |
| C19 | C18 | C23 | C22 | 0.7° | 0.8° |
| C18 | C19 | C20 | H8 | 179.9° | 179.4° |
| C19 | C18 | C23 | H11 | 179.4° | 179.8° |
| C23 | C18 | C19 | C20 | 0.2° | 0.2° |
| C23 | C18 | C19 | S62 | 179.7° | 179.6° |
| C18 | C23 | C22 | C21 | 0.9° | 0.7° |
| C18 | C23 | C22 | H11 | 180.0° | 179.0° |
| C18 | C23 | C22 | H10 | 179.2° | 179.7° |
| C19 | C20 | C21 | H8 | 180.0° | 178.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.6° |
| C19 | C20 | C21 | H9 | 180.0° | 179.7° |
| S62 | C19 | C20 | C21 | 180.0° | 179.8° |
| S62 | C19 | C20 | H8 | 0.0° | 0.9° |
| C20 | C21 | C22 | H9 | 180.0° | 179.6° |
| C20 | C21 | C22 | C23 | 0.5° | 0.1° |
| C20 | C21 | C22 | H10 | 179.5° | 179.6° |
| C21 | C22 | C23 | H10 | 180.0° | 179.6° |
| C22 | C21 | C20 | H8 | 180.0° | 179.5° |
| C21 | C22 | C23 | H11 | 179.2° | 179.7° |
| C23 | C22 | C21 | H9 | 179.5° | 179.7° |
| C25 | C24 | C27 | IR61 | 172.9° | 161.6° |
| C24 | C25 | C26 | C40 | 178.9° | 179.0° |
| C24 | C25 | C26 | C37 | 177.7° | 179.5° |
| C24 | C25 | C26 | S63 | 2.0° | 0.8° |
| C25 | C24 | C27 | C28 | 177.9° | 176.1° |
| C25 | C24 | C27 | S63 | 4.1° | 1.1° |
| C24 | C25 | C40 | C39 | 177.5° | 179.3° |
| C25 | C24 | IR61 | N01 | 46.2° | 13.3° |
| C25 | C24 | IR61 | N02 | 173.1° | 179.1° |
| C25 | C24 | IR61 | N03 | 99.5° | 30.4° |
| C24 | C25 | C40 | H21 | 2.6° | 1.0° |
| C25 | C24 | IR61 | N04 | 43.8° | 34.5° |
| C27 | C24 | C25 | C26 | 4.0° | 0.2° |
| C27 | C24 | C25 | C40 | 177.2° | 178.7° |
| C24 | C27 | S63 | C26 | 2.3° | 1.4° |
| C24 | C27 | C28 | S63 | 177.6° | 174.3° |
| C24 | C27 | C28 | C29 | 176.9° | 175.4° |
| C24 | C27 | C28 | N02 | 3.0° | 8.2° |
| C27 | C24 | IR61 | N01 | 122.3° | 168.5° |
| C27 | C24 | IR61 | N02 | 4.7° | 25.7° |
| C27 | C24 | IR61 | N03 | 92.0° | 174.4° |
| C27 | C24 | IR61 | N04 | 147.7° | 120.7° |
| IR61 | C24 | C25 | C26 | 171.3° | 154.0° |
| IR61 | C24 | C25 | C40 | 9.9° | 24.8° |
| IR61 | C24 | C27 | C28 | 5.0° | 22.3° |
| IR61 | C24 | C27 | S63 | 177.0° | 162.8° |
| C24 | IR61 | N02 | C28 | 3.7° | 29.5° |
| C24 | IR61 | N02 | C32 | 177.6° | 175.5° |
| C24 | IR61 | N03 | C41 | 108.6° | 82.9° |
| C24 | IR61 | N04 | C42 | 74.7° | 112.6° |
| C24 | IR61 | N04 | C43 | 107.0° | 64.9° |
| C24 | IR61 | N03 | C50 | 77.6° | 110.7° |
| C24 | IR61 | N01 | N02 | 100.9° | 165.2° |
| C24 | IR61 | N01 | N03 | 86.1° | 18.2° |
| C24 | IR61 | N01 | N04 | 96.4° | 47.1° |
| C24 | IR61 | N02 | N03 | 78.5° | 105.3° |
| C24 | IR61 | N02 | N04 | 103.6° | 62.6° |
| C24 | IR61 | N03 | N04 | 105.2° | 73.8° |
| C25 | C26 | C37 | S63 | 179.7° | 179.7° |
| C25 | C26 | S63 | C27 | 0.2° | 1.3° |
| C25 | C26 | C37 | C38 | 0.6° | 0.0° |
| C26 | C25 | C40 | C39 | 1.2° | 0.5° |
| C25 | C26 | C37 | H18 | 179.3° | 179.4° |
| C26 | C25 | C40 | H21 | 178.7° | 179.8° |
| C40 | C25 | C26 | C37 | 1.2° | 0.4° |
| C40 | C25 | C26 | S63 | 179.1° | 179.9° |
| C25 | C40 | C39 | C38 | 0.8° | 0.3° |
| C25 | C40 | C39 | H21 | 180.0° | 179.7° |
| C25 | C40 | C39 | H20 | 179.2° | 179.7° |
| C37 | C26 | S63 | C27 | 179.9° | 179.0° |
| C26 | C37 | C38 | H18 | 180.0° | 179.5° |
| C26 | C37 | C38 | C39 | 0.1° | 0.3° |
| C26 | C37 | C38 | H19 | 179.9° | 179.8° |
| C26 | S63 | C27 | C28 | 179.8° | 176.4° |
| S63 | C26 | C37 | C38 | 179.6° | 179.7° |
| S63 | C26 | C37 | H18 | 0.4° | 0.3° |
| C27 | C28 | C29 | N02 | 179.9° | 176.3° |
| C27 | C28 | C29 | C30 | 179.9° | 177.8° |
| C27 | C28 | N02 | C32 | 179.6° | 175.5° |
| C27 | C28 | N02 | IR61 | 1.7° | 26.6° |
| C27 | C28 | C29 | H12 | 0.1° | 4.2° |
| S63 | C27 | C28 | C29 | 0.6° | 10.3° |
| S63 | C27 | C28 | N02 | 179.4° | 166.1° |
| C28 | C29 | C30 | H12 | 180.0° | 178.0° |
| C28 | C29 | C30 | C31 | 0.1° | 2.0° |
| C29 | C28 | N02 | C32 | 0.4° | 0.7° |
| C29 | C28 | N02 | IR61 | 178.4° | 157.3° |
| C28 | C29 | C30 | H13 | 179.9° | 179.1° |
| N02 | C28 | C29 | C30 | 0.1° | 1.5° |
| C28 | N02 | C32 | C31 | 0.5° | 2.4° |
| C28 | N02 | C32 | C33 | 179.8° | 179.9° |
| C28 | N02 | C32 | IR61 | 178.5° | 142.3° |
| C28 | N02 | IR61 | N01 | 101.7° | 153.0° |
| C28 | N02 | IR61 | N03 | 82.1° | 134.8° |
| N02 | C28 | C29 | H12 | 180.0° | 179.5° |
| C28 | N02 | IR61 | N04 | 107.3° | 33.1° |
| C29 | C30 | C31 | H13 | 180.0° | 178.9° |
| C29 | C30 | C31 | C32 | 0.0° | 0.3° |
| C29 | C30 | C31 | C36 | 179.9° | 179.3° |
| C30 | C31 | C32 | C36 | 180.0° | 179.6° |
| C30 | C31 | C32 | C33 | 179.6° | 179.8° |
| C30 | C31 | C32 | N02 | 0.3° | 1.9° |
| C30 | C31 | C36 | C35 | 179.9° | 179.3° |
| C31 | C30 | C29 | H12 | 179.9° | 180.0° |
| C30 | C31 | C36 | H17 | 0.1° | 0.7° |
| C31 | C32 | C33 | N02 | 179.3° | 177.9° |
| C31 | C32 | C33 | C34 | 0.9° | 0.9° |
| C32 | C31 | C36 | C35 | 0.1° | 0.3° |
| C31 | C32 | N02 | IR61 | 178.0° | 139.9° |
| C32 | C31 | C30 | H13 | 180.0° | 179.2° |
| C31 | C32 | C33 | H14 | 179.1° | 179.5° |
| C32 | C31 | C36 | H17 | 179.9° | 178.8° |
| C36 | C31 | C32 | C33 | 0.5° | 0.6° |
| C36 | C31 | C32 | N02 | 179.8° | 178.5° |
| C31 | C36 | C35 | C34 | 0.1° | 0.9° |
| C31 | C36 | C35 | H17 | 180.0° | 178.6° |
| C36 | C31 | C30 | H13 | 0.1° | 0.4° |
| C31 | C36 | C35 | H16 | 179.9° | 179.6° |
| C32 | C33 | C34 | H14 | 180.0° | 179.6° |
| C32 | C33 | C34 | C35 | 0.9° | 0.4° |
| C33 | C32 | N02 | IR61 | 1.3° | 37.9° |
| C32 | C33 | C34 | H15 | 179.1° | 179.5° |
| N02 | C32 | C33 | C34 | 179.9° | 178.8° |
| C32 | N02 | IR61 | N01 | 77.0° | 6.9° |
| C32 | N02 | IR61 | N03 | 99.1° | 79.2° |
| N02 | C32 | C33 | H14 | 0.2° | 1.6° |
| C32 | N02 | IR61 | N04 | 74.0° | 112.9° |
| C33 | C34 | C35 | H15 | 180.0° | 179.8° |
| C33 | C34 | C35 | C36 | 0.5° | 0.6° |
| C33 | C34 | C35 | H16 | 179.5° | 179.9° |
| C34 | C35 | C36 | H16 | 180.0° | 179.5° |
| C35 | C34 | C33 | H14 | 179.1° | 180.0° |
| C34 | C35 | C36 | H17 | 179.9° | 179.4° |
| C36 | C35 | C34 | H15 | 179.5° | 179.6° |
| C37 | C38 | C39 | H19 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.2° | 0.1° |
| C37 | C38 | C39 | H20 | 179.8° | 179.8° |
| C38 | C39 | C40 | H20 | 180.0° | 180.0° |
| C39 | C38 | C37 | H18 | 179.8° | 179.7° |
| C38 | C39 | C40 | H21 | 179.2° | 179.9° |
| C40 | C39 | C38 | H19 | 179.8° | 179.9° |
| C42 | C41 | C47 | N03 | 178.0° | 176.5° |
| C41 | C42 | C46 | N04 | 180.0° | 176.6° |
| C41 | C42 | N04 | C43 | 179.8° | 177.5° |
| C41 | C42 | C46 | C45 | 180.0° | 178.7° |
| C42 | C41 | C47 | C48 | 179.5° | 177.7° |
| C42 | C41 | N03 | C50 | 178.4° | 178.3° |
| C42 | C41 | N03 | IR61 | 4.1° | 14.3° |
| C41 | C42 | C46 | H25 | 0.1° | 3.7° |
| C42 | C41 | C47 | H26 | 0.5° | 0.5° |
| C41 | C42 | N04 | IR61 | 1.6° | 5.0° |
| C47 | C41 | C42 | C46 | 0.4° | 12.3° |
| C47 | C41 | C42 | N04 | 179.6° | 164.5° |
| C41 | C47 | C48 | H26 | 180.0° | 177.3° |
| C41 | C47 | C48 | C49 | 1.2° | 0.4° |
| C47 | C41 | N03 | C50 | 3.5° | 4.7° |
| C47 | C41 | N03 | IR61 | 177.8° | 162.6° |
| C41 | C47 | C48 | H27 | 178.8° | 179.3° |
| N03 | C41 | C42 | C46 | 178.5° | 170.8° |
| N03 | C41 | C42 | N04 | 1.5° | 12.3° |
| N03 | C41 | C47 | C48 | 1.5° | 1.2° |
| C41 | N03 | C50 | C49 | 3.3° | 7.3° |
| C41 | N03 | C50 | IR61 | 174.7° | 166.7° |
| C41 | N03 | IR61 | N01 | 15.6° | 94.1° |
| C41 | N03 | IR61 | N02 | 158.7° | 178.9° |
| N03 | C41 | C47 | H26 | 178.5° | 176.0° |
| C41 | N03 | C50 | H28 | 176.8° | 178.2° |
| C41 | N03 | IR61 | N04 | 3.4° | 9.1° |
| C46 | C42 | N04 | C43 | 0.2° | 0.6° |
| C42 | C46 | C45 | C44 | 0.5° | 1.7° |
| C42 | C46 | C45 | H25 | 180.0° | 177.6° |
| C42 | C46 | C45 | H24 | 179.5° | 178.8° |
| C46 | C42 | N04 | IR61 | 178.5° | 178.1° |
| C42 | N04 | C43 | C44 | 0.1° | 1.5° |
| C42 | N04 | C43 | IR61 | 178.4° | 177.7° |
| N04 | C42 | C46 | C45 | 0.0° | 2.2° |
| C42 | N04 | IR61 | N01 | 175.8° | 60.5° |
| C42 | N04 | IR61 | N02 | 27.4° | 174.9° |
| C42 | N04 | IR61 | N03 | 2.5° | 1.6° |
| C42 | N04 | C43 | H22 | 179.9° | 178.8° |
| N04 | C42 | C46 | H25 | 180.0° | 179.8° |
| C44 | C43 | N04 | H22 | 180.0° | 177.3° |
| C43 | C44 | C45 | H23 | 180.0° | 179.3° |
| C43 | C44 | C45 | C46 | 0.6° | 0.2° |
| C43 | C44 | C45 | H24 | 179.4° | 179.3° |
| C44 | C43 | N04 | IR61 | 178.5° | 176.2° |
| N04 | C43 | C44 | C45 | 0.4° | 1.9° |
| C43 | N04 | IR61 | N01 | 6.0° | 122.0° |
| C43 | N04 | IR61 | N02 | 150.8° | 2.5° |
| C43 | N04 | IR61 | N03 | 179.3° | 175.8° |
| N04 | C43 | C44 | H23 | 179.6° | 178.7° |
| C44 | C45 | C46 | H24 | 180.0° | 179.5° |
| C45 | C44 | C43 | H22 | 179.6° | 179.2° |
| C44 | C45 | C46 | H25 | 179.5° | 179.3° |
| C46 | C45 | C44 | H23 | 179.4° | 179.6° |
| C47 | C48 | C49 | H27 | 180.0° | 179.7° |
| C47 | C48 | C49 | C50 | 1.6° | 1.7° |
| C47 | C48 | C49 | C51 | 179.0° | 179.6° |
| C48 | C49 | C50 | C51 | 177.6° | 178.0° |
| C48 | C49 | C50 | N03 | 0.8° | 5.8° |
| C48 | C49 | C51 | N05 | 126.9° | 152.4° |
| C49 | C48 | C47 | H26 | 178.8° | 177.7° |
| C48 | C49 | C50 | H28 | 179.3° | 179.7° |
| C48 | C49 | C51 | H29 | 115.3° | 85.8° |
| C48 | C49 | C51 | H30 | 9.1° | 30.3° |
| C49 | C50 | N03 | H28 | 180.0° | 174.5° |
| C50 | C49 | C51 | N05 | 50.5° | 29.7° |
| C49 | C50 | N03 | IR61 | 177.9° | 159.5° |
| C50 | C49 | C48 | H27 | 178.5° | 178.6° |
| C50 | C49 | C51 | H29 | 67.3° | 92.1° |
| C50 | C49 | C51 | H30 | 168.3° | 151.8° |
| C51 | C49 | C50 | N03 | 176.8° | 176.2° |
| C49 | C51 | N05 | H29 | 117.8° | 121.8° |
| C49 | C51 | N05 | H30 | 117.8° | 122.2° |
| C49 | C51 | N05 | C52 | 90.5° | 93.0° |
| C51 | C49 | C48 | H27 | 1.0° | 0.6° |
| C51 | C49 | C50 | H28 | 3.2° | 1.6° |
| C49 | C51 | H29 | H30 | 126.1° | 117.0° |
| C49 | C51 | N05 | H38 | 89.5° | 86.4° |
| C50 | N03 | IR61 | N01 | 170.6° | 72.4° |
| C50 | N03 | IR61 | N02 | 15.1° | 12.4° |
| C50 | N03 | IR61 | N04 | 177.2° | 175.6° |
| C51 | N05 | C52 | C53 | 177.7° | 172.9° |
| C51 | N05 | C52 | H38 | 180.0° | 179.4° |
| C51 | N05 | C52 | O60 | 2.5° | 6.8° |
| N05 | C51 | H29 | H30 | 126.2° | 116.8° |
| C53 | C52 | N05 | O60 | 179.9° | 179.6° |
| C52 | C53 | C54 | H31 | 120.8° | 122.6° |
| C52 | C53 | C54 | H32 | 120.8° | 121.6° |
| C52 | C53 | C54 | C55 | 97.4° | 156.8° |
| C52 | C53 | H31 | H32 | 117.6° | 116.2° |
| C52 | C53 | C54 | H33 | 22.6° | 80.8° |
| C52 | C53 | C54 | H34 | 142.7° | 34.0° |
| C53 | C52 | N05 | H38 | 2.3° | 7.8° |
| N05 | C52 | C53 | C54 | 130.9° | 132.6° |
| C52 | N05 | C51 | H29 | 151.7° | 145.2° |
| C52 | N05 | C51 | H30 | 27.3° | 29.2° |
| N05 | C52 | C53 | H31 | 108.4° | 10.3° |
| N05 | C52 | C53 | H32 | 10.1° | 105.7° |
| O60 | C52 | C53 | C54 | 49.0° | 47.8° |
| O60 | C52 | C53 | H31 | 71.8° | 170.1° |
| O60 | C52 | C53 | H32 | 169.8° | 74.0° |
| O60 | C52 | N05 | H38 | 177.5° | 172.6° |
| C53 | C54 | C55 | H33 | 120.0° | 122.4° |
| C53 | C54 | C55 | H34 | 120.0° | 122.6° |
| C53 | C54 | C55 | C56 | 153.8° | 101.7° |
| C53 | C54 | C55 | C59 | 26.1° | 79.7° |
| C54 | C53 | H31 | H32 | 117.6° | 116.2° |
| C53 | C54 | H33 | H34 | 120.1° | 116.0° |
| C54 | C55 | C56 | C59 | 179.9° | 178.6° |
| C54 | C55 | C56 | N57 | 179.8° | 179.7° |
| C54 | C55 | C59 | C58 | 179.7° | 179.6° |
| C55 | C54 | C53 | H31 | 141.9° | 34.2° |
| C55 | C54 | C53 | H32 | 23.4° | 81.6° |
| C55 | C54 | H33 | H34 | 120.1° | 116.4° |
| C54 | C55 | C56 | H35 | 0.2° | 0.6° |
| C54 | C55 | C59 | H37 | 0.3° | 1.0° |
| C55 | C56 | N57 | H35 | 180.0° | 179.8° |
| C56 | C55 | C59 | C58 | 0.2° | 1.0° |
| C56 | C55 | C54 | H33 | 33.8° | 135.9° |
| C56 | C55 | C54 | H34 | 86.2° | 20.9° |
| C56 | C55 | C59 | H37 | 179.8° | 179.7° |
| C59 | C55 | C56 | N57 | 0.1° | 1.0° |
| C55 | C59 | C58 | H37 | 180.0° | 179.3° |
| C59 | C55 | C54 | H33 | 146.1° | 42.7° |
| C59 | C55 | C54 | H34 | 93.9° | 157.7° |
| C59 | C55 | C56 | H35 | 179.9° | 179.2° |
| C55 | C59 | C58 | H36 | 179.6° | 179.5° |
| C56 | N57 | C06 | H1 | 179.8° | 179.9° |
| C59 | C58 | C06 | H1 | 179.7° | 179.9° |
| N01 | IR61 | N02 | N03 | 176.1° | 72.3° |
| N01 | IR61 | N02 | N04 | 151.0° | 119.9° |
| N01 | IR61 | N03 | N04 | 12.2° | 103.2° |
| N02 | IR61 | N03 | N04 | 162.1° | 172.0° |
| IR61 | N03 | C50 | H28 | 2.1° | 15.1° |
| H1 | C06 | C58 | H36 | 0.4° | 0.1° |
| H2 | C08 | C09 | H3 | 0.2° | 1.2° |
| H4 | C12 | C13 | H5 | 3.3° | 0.5° |
| H5 | C13 | C14 | H6 | 1.7° | 0.1° |
| H6 | C14 | C15 | H7 | 0.2° | 1.9° |
| H8 | C20 | C21 | H9 | 0.0° | 0.8° |
| H9 | C21 | C22 | H10 | 0.5° | 0.1° |
| H10 | C22 | C23 | H11 | 0.8° | 0.7° |
| H12 | C29 | C30 | H13 | 0.2° | 1.1° |
| H14 | C33 | C34 | H15 | 0.9° | 0.2° |
| H15 | C34 | C35 | H16 | 0.5° | 0.0° |
| H16 | C35 | C36 | H17 | 0.1° | 1.0° |
| H18 | C37 | C38 | H19 | 0.2° | 0.4° |
| H19 | C38 | C39 | H20 | 0.2° | 0.1° |
| H20 | C39 | C40 | H21 | 0.8° | 0.1° |
| H22 | C43 | C44 | H23 | 0.4° | 1.5° |
| H22 | C43 | N04 | IR61 | 1.5° | 1.1° |
| H23 | C44 | C45 | H24 | 0.6° | 0.0° |
| H24 | C45 | C46 | H25 | 0.5° | 1.2° |
| H26 | C47 | C48 | H27 | 1.2° | 2.1° |
| H29 | C51 | N05 | H38 | 28.3° | 35.4° |
| H30 | C51 | N05 | H38 | 152.7° | 151.4° |
| H31 | C53 | C54 | H33 | 98.2° | 156.7° |
| H31 | C53 | C54 | H34 | 21.9° | 88.5° |
| H32 | C53 | C54 | H33 | 143.4° | 40.8° |
| H32 | C53 | C54 | H34 | 96.6° | 155.6° |
| H36 | C58 | C59 | H37 | 0.4° | 0.1° |
