2FJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C14 | sing | 1.37Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.45Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.37Å | 1.34Å | Aromatic |
| C17 | C22 | sing | 1.48Å | 1.54Å | |
| C17 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C22 | N4 | doub | 1.34Å | 1.32Å | Aromatic |
| C13 | N3 | sing | 1.34Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| N4 | C18 | sing | 1.34Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.44Å | Aromatic |
| N1 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.35Å | Aromatic |
| C23 | N5 | doub | 1.35Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.37Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.44Å | 1.40Å | Aromatic |
| C5 | C11 | sing | 1.46Å | 1.43Å | Aromatic |
| N5 | C27 | sing | 1.35Å | 1.37Å | Aromatic |
| C4 | C6 | sing | 1.47Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.37Å | 1.43Å | Aromatic |
| N6 | C28 | doub | 1.34Å | 1.38Å | Aromatic |
| N6 | C32 | sing | 1.36Å | 1.36Å | Aromatic |
| C27 | C32 | sing | 1.50Å | 1.57Å | |
| C27 | C26 | doub | 1.40Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.37Å | 1.43Å | Aromatic |
| N8 | C6 | doub | 1.34Å | 1.40Å | Aromatic |
| N8 | C38 | sing | 1.34Å | 1.35Å | Aromatic |
| C11 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C12 | sing | 1.42Å | 1.44Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.42Å | Aromatic |
| N2 | C7 | doub | 1.33Å | 1.36Å | Aromatic |
| C35 | C34 | doub | 1.37Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.43Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.37Å | 1.40Å | Aromatic |
| C38 | C36 | doub | 1.46Å | 1.38Å | Aromatic |
| C38 | C44 | sing | 1.42Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C12 | sing | 1.45Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | N10 | doub | 1.32Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.43Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| C56 | C55 | doub | 1.37Å | 1.40Å | Aromatic |
| C56 | C57 | sing | 1.37Å | 1.36Å | Aromatic |
| C33 | N7 | doub | 1.33Å | 1.39Å | Aromatic |
| C55 | N13 | sing | 1.34Å | 1.36Å | Aromatic |
| C44 | N10 | sing | 1.31Å | 1.32Å | Aromatic |
| C44 | C42 | doub | 1.46Å | 1.46Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C57 | C58 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| C37 | C43 | doub | 1.46Å | 1.42Å | Aromatic |
| C42 | C43 | sing | 1.39Å | 1.41Å | Aromatic |
| C42 | C41 | sing | 1.40Å | 1.35Å | Aromatic |
| C43 | N9 | sing | 1.35Å | 1.34Å | Aromatic |
| N13 | C59 | doub | 1.34Å | 1.40Å | Aromatic |
| C58 | C59 | sing | 1.40Å | 1.44Å | Aromatic |
| C45 | C46 | doub | 1.37Å | 1.42Å | Aromatic |
| C45 | N11 | sing | 1.34Å | 1.36Å | Aromatic |
| C46 | C47 | sing | 1.37Å | 1.41Å | Aromatic |
| C41 | C40 | doub | 1.37Å | 1.41Å | Aromatic |
| C59 | C64 | sing | 1.48Å | 1.53Å | |
| N11 | C49 | doub | 1.35Å | 1.41Å | Aromatic |
| N9 | C39 | doub | 1.32Å | 1.38Å | Aromatic |
| C47 | C48 | doub | 1.38Å | 1.42Å | Aromatic |
| C49 | C48 | sing | 1.40Å | 1.39Å | Aromatic |
| C49 | C54 | sing | 1.50Å | 1.51Å | |
| C40 | C39 | sing | 1.40Å | 1.39Å | Aromatic |
| C54 | N12 | doub | 1.35Å | 1.37Å | Aromatic |
| C54 | C53 | sing | 1.40Å | 1.39Å | Aromatic |
| N12 | C50 | sing | 1.35Å | 1.36Å | Aromatic |
| C64 | N14 | doub | 1.35Å | 1.35Å | Aromatic |
| C64 | C63 | sing | 1.40Å | 1.39Å | Aromatic |
| C53 | C52 | doub | 1.38Å | 1.40Å | Aromatic |
| N14 | C60 | sing | 1.35Å | 1.35Å | Aromatic |
| C50 | C51 | doub | 1.37Å | 1.35Å | Aromatic |
| C52 | C51 | sing | 1.37Å | 1.38Å | Aromatic |
| C63 | C62 | doub | 1.37Å | 1.39Å | Aromatic |
| C60 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C62 | C61 | sing | 1.37Å | 1.41Å | Aromatic |
| N7 | RU2 | sing | 2.28Å | 2.07Å | |
| N1 | RU1 | sing | 2.29Å | 2.07Å | |
| RU1 | N5 | sing | 2.08Å | 2.05Å | |
| RU1 | N4 | sing | 2.41Å | 2.07Å | |
| RU2 | N12 | sing | 2.13Å | 2.08Å | |
| RU2 | N13 | sing | 2.15Å | 2.10Å | |
| C1 | H1 | sing | 0.94Å | 1.08Å | |
| C2 | H2 | sing | 0.94Å | 1.08Å | |
| C3 | H3 | sing | 0.94Å | 1.08Å | |
| C7 | H4 | sing | 0.93Å | 1.08Å | |
| C8 | H5 | sing | 0.94Å | 1.08Å | |
| C9 | H6 | sing | 0.94Å | 1.08Å | |
| C13 | H7 | sing | 0.94Å | 1.08Å | |
| C14 | H8 | sing | 0.94Å | 1.08Å | |
| C15 | H9 | sing | 0.94Å | 1.08Å | |
| C16 | H10 | sing | 0.94Å | 1.08Å | |
| C19 | H12 | sing | 0.94Å | 1.08Å | |
| C20 | H13 | sing | 0.94Å | 1.08Å | |
| C21 | H14 | sing | 0.94Å | 1.08Å | |
| C23 | H15 | sing | 0.94Å | 1.08Å | |
| C24 | H16 | sing | 0.94Å | 1.08Å | |
| C25 | H17 | sing | 0.94Å | 1.08Å | |
| C26 | H18 | sing | 0.94Å | 1.08Å | |
| C28 | H19 | sing | 0.94Å | 1.08Å | |
| C29 | H20 | sing | 0.94Å | 1.08Å | |
| C30 | H21 | sing | 0.94Å | 1.08Å | |
| C31 | H22 | sing | 0.94Å | 1.08Å | |
| C33 | H23 | sing | 0.94Å | 1.08Å | |
| C34 | H24 | sing | 0.94Å | 1.08Å | |
| C35 | H25 | sing | 0.94Å | 1.08Å | |
| C39 | H26 | sing | 0.94Å | 1.08Å | |
| C40 | H27 | sing | 0.94Å | 1.08Å | |
| C41 | H28 | sing | 0.94Å | 1.08Å | |
| C45 | H29 | sing | 0.94Å | 1.08Å | |
| C46 | H30 | sing | 0.94Å | 1.08Å | |
| C47 | H31 | sing | 0.94Å | 1.08Å | |
| C48 | H32 | sing | 0.94Å | 1.08Å | |
| C50 | H33 | sing | 0.94Å | 1.08Å | |
| C51 | H34 | sing | 0.94Å | 1.08Å | |
| C52 | H35 | sing | 0.94Å | 1.08Å | |
| C53 | H36 | sing | 0.94Å | 1.08Å | |
| C55 | H37 | sing | 0.94Å | 1.08Å | |
| C56 | H38 | sing | 0.94Å | 1.08Å | |
| C57 | H39 | sing | 0.94Å | 1.08Å | |
| C58 | H40 | sing | 0.94Å | 1.08Å | |
| C60 | H41 | sing | 0.93Å | 1.08Å | |
| C61 | H42 | sing | 0.94Å | 1.08Å | |
| C62 | H43 | sing | 0.94Å | 1.08Å | |
| C63 | H44 | sing | 0.94Å | 1.08Å | |
| RU2 | N9 | sing | 2.02Å | 2.07Å | |
| RU2 | N11 | sing | 1.97Å | 2.09Å | |
| RU2 | N14 | sing | 2.68Å | 2.13Å | |
| RU1 | N3 | sing | 2.24Å | 2.13Å | |
| RU1 | N2 | sing | 2.11Å | 2.15Å | |
| RU1 | N6 | sing | 2.11Å | 2.12Å | |
| C18 | H11 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 117.5° | 119.0° |
| C15 | C16 | C17 | 119.1° | 118.8° |
| C16 | C15 | H9 | 121.3° | 120.4° |
| C15 | C16 | H10 | 120.4° | 120.4° |
| C15 | C14 | C13 | 117.6° | 118.1° |
| C15 | C14 | H8 | 121.2° | 121.0° |
| C14 | C15 | H9 | 121.2° | 120.6° |
| C16 | C17 | C22 | 122.6° | 121.1° |
| C16 | C17 | N3 | 124.3° | 121.1° |
| C17 | C16 | H10 | 120.5° | 120.1° |
| C20 | C21 | C22 | 116.2° | 118.7° |
| C21 | C20 | C19 | 119.0° | 119.0° |
| C21 | C20 | H13 | 120.5° | 120.3° |
| C20 | C21 | H14 | 121.9° | 120.3° |
| C21 | C22 | C17 | 122.5° | 120.5° |
| C21 | C22 | N4 | 124.9° | 121.3° |
| C22 | C21 | H14 | 121.9° | 119.9° |
| C14 | C13 | N3 | 125.8° | 123.1° |
| C14 | C13 | H7 | 117.1° | 118.6° |
| C13 | C14 | H8 | 121.2° | 120.8° |
| C20 | C19 | C18 | 121.3° | 118.3° |
| C20 | C19 | H12 | 119.4° | 120.8° |
| C19 | C20 | H13 | 120.5° | 120.6° |
| C22 | C17 | N3 | 112.3° | 115.3° |
| C17 | C22 | N4 | 112.6° | 115.5° |
| C17 | N3 | C13 | 114.7° | 117.7° |
| C17 | N3 | RU1 | 118.1° | 96.3° |
| C22 | N4 | C18 | 115.4° | 116.9° |
| C22 | N4 | RU1 | 120.6° | 94.7° |
| N3 | C13 | H7 | 117.1° | 118.0° |
| C13 | N3 | RU1 | 126.2° | 117.0° |
| C19 | C18 | N4 | 121.8° | 123.2° |
| C18 | C19 | H12 | 119.3° | 120.9° |
| C19 | C18 | H11 | 119.1° | 118.4° |
| C18 | N4 | RU1 | 122.7° | 129.8° |
| N4 | C18 | H11 | 119.1° | 118.0° |
| C2 | C1 | N1 | 119.1° | 124.3° |
| C1 | C2 | C3 | 120.2° | 119.4° |
| C2 | C1 | H1 | 120.4° | 118.0° |
| C1 | C2 | H2 | 119.9° | 120.2° |
| C1 | N1 | C5 | 118.2° | 116.6° |
| C1 | N1 | RU1 | 125.7° | 132.0° |
| N1 | C1 | H1 | 120.5° | 117.7° |
| C2 | C3 | C4 | 120.2° | 119.2° |
| C3 | C2 | H2 | 119.9° | 120.5° |
| C2 | C3 | H3 | 119.9° | 120.1° |
| N1 | C5 | C4 | 125.2° | 123.4° |
| N1 | C5 | C11 | 116.0° | 117.1° |
| C5 | N1 | RU1 | 115.5° | 101.1° |
| C3 | C4 | C5 | 116.9° | 117.1° |
| C3 | C4 | C6 | 122.0° | 122.9° |
| C4 | C3 | H3 | 119.9° | 120.7° |
| N5 | C23 | C24 | 120.5° | 123.9° |
| C23 | N5 | C27 | 117.3° | 118.0° |
| C23 | N5 | RU1 | 125.6° | 125.5° |
| N5 | C23 | H15 | 119.7° | 118.1° |
| C23 | C24 | C25 | 123.2° | 118.2° |
| C24 | C23 | H15 | 119.8° | 117.9° |
| C23 | C24 | H16 | 118.4° | 120.8° |
| C4 | C5 | C11 | 117.8° | 119.5° |
| C5 | C4 | C6 | 121.0° | 120.0° |
| C5 | C11 | N2 | 117.8° | 117.8° |
| C5 | C11 | C10 | 118.5° | 120.4° |
| N5 | C27 | C32 | 114.3° | 115.1° |
| N5 | C27 | C26 | 123.5° | 120.7° |
| C27 | N5 | RU1 | 116.4° | 115.6° |
| C4 | C6 | N8 | 117.1° | 121.8° |
| C4 | C6 | C12 | 121.6° | 118.4° |
| C24 | C25 | C26 | 115.1° | 119.5° |
| C25 | C24 | H16 | 118.4° | 120.9° |
| C24 | C25 | H17 | 122.5° | 120.3° |
| C28 | N6 | C32 | 116.7° | 117.8° |
| N6 | C28 | C29 | 122.6° | 123.6° |
| N6 | C28 | H19 | 118.7° | 117.9° |
| C28 | N6 | RU1 | 127.9° | 128.4° |
| N6 | C32 | C27 | 113.3° | 115.8° |
| N6 | C32 | C31 | 123.5° | 121.1° |
| C32 | N6 | RU1 | 115.2° | 113.5° |
| C32 | C27 | C26 | 121.5° | 123.9° |
| C27 | C32 | C31 | 123.2° | 123.2° |
| C27 | C26 | C25 | 119.6° | 119.6° |
| C27 | C26 | H18 | 120.2° | 120.7° |
| C26 | C25 | H17 | 122.4° | 120.2° |
| C25 | C26 | H18 | 120.2° | 119.7° |
| C28 | C29 | C30 | 117.6° | 118.6° |
| C29 | C28 | H19 | 118.7° | 118.5° |
| C28 | C29 | H20 | 121.2° | 120.7° |
| C6 | N8 | C38 | 119.4° | 117.9° |
| N8 | C6 | C12 | 120.8° | 119.8° |
| N8 | C38 | C36 | 122.9° | 121.3° |
| N8 | C38 | C44 | 120.1° | 120.7° |
| N2 | C11 | C10 | 123.5° | 121.8° |
| C11 | N2 | C7 | 117.8° | 117.8° |
| C11 | N2 | RU1 | 112.7° | 106.0° |
| C11 | C10 | C12 | 124.6° | 120.3° |
| C11 | C10 | C9 | 116.9° | 119.1° |
| C6 | C12 | C10 | 114.9° | 121.3° |
| C6 | C12 | N10 | 116.2° | 122.1° |
| C32 | C31 | C30 | 118.2° | 119.4° |
| C32 | C31 | H22 | 120.9° | 120.8° |
| N2 | C7 | C8 | 121.2° | 124.2° |
| N2 | C7 | H4 | 119.4° | 118.1° |
| C7 | N2 | RU1 | 129.6° | 126.5° |
| C34 | C35 | C36 | 121.3° | 119.2° |
| C35 | C34 | C33 | 121.1° | 119.0° |
| C35 | C34 | H24 | 119.5° | 120.7° |
| C34 | C35 | H25 | 119.4° | 120.1° |
| C35 | C36 | C38 | 123.1° | 122.6° |
| C35 | C36 | C37 | 113.7° | 117.6° |
| C36 | C35 | H25 | 119.4° | 120.7° |
| C34 | C33 | N7 | 117.7° | 124.1° |
| C34 | C33 | H23 | 121.1° | 118.1° |
| C33 | C34 | H24 | 119.5° | 120.3° |
| C29 | C30 | C31 | 120.2° | 119.5° |
| C30 | C29 | H20 | 121.2° | 120.7° |
| C29 | C30 | H21 | 119.9° | 120.4° |
| C36 | C38 | C44 | 116.6° | 117.9° |
| C38 | C36 | C37 | 123.1° | 119.8° |
| C38 | C44 | N10 | 122.0° | 121.1° |
| C38 | C44 | C42 | 122.2° | 121.7° |
| C31 | C30 | H21 | 119.8° | 120.1° |
| C30 | C31 | H22 | 120.9° | 119.8° |
| C12 | C10 | C9 | 118.5° | 120.6° |
| C10 | C12 | N10 | 128.7° | 116.6° |
| C10 | C9 | C8 | 119.4° | 119.1° |
| C10 | C9 | H6 | 120.3° | 121.1° |
| C12 | N10 | C44 | 121.3° | 118.3° |
| C36 | C37 | N7 | 123.8° | 122.9° |
| C36 | C37 | C43 | 120.8° | 120.9° |
| C7 | C8 | C9 | 120.9° | 118.0° |
| C8 | C7 | H4 | 119.4° | 117.6° |
| C7 | C8 | H5 | 119.6° | 120.8° |
| C55 | C56 | C57 | 118.1° | 118.2° |
| C56 | C55 | N13 | 123.7° | 124.1° |
| C56 | C55 | H37 | 118.2° | 118.3° |
| C55 | C56 | H38 | 120.9° | 120.8° |
| C56 | C57 | C58 | 124.3° | 119.2° |
| C57 | C56 | H38 | 121.0° | 120.9° |
| C56 | C57 | H39 | 117.9° | 120.5° |
| C33 | N7 | C37 | 121.0° | 117.2° |
| C33 | N7 | RU2 | 124.2° | 132.7° |
| N7 | C33 | H23 | 121.2° | 117.8° |
| C55 | N13 | C59 | 115.1° | 117.5° |
| C55 | N13 | RU2 | 127.1° | 110.9° |
| N13 | C55 | H37 | 118.2° | 117.6° |
| N10 | C44 | C42 | 115.8° | 117.2° |
| C44 | C42 | C43 | 119.3° | 120.2° |
| C44 | C42 | C41 | 119.0° | 121.3° |
| C9 | C8 | H5 | 119.6° | 121.2° |
| C8 | C9 | H6 | 120.3° | 119.8° |
| C57 | C58 | C59 | 113.8° | 119.3° |
| C58 | C57 | H39 | 117.8° | 120.3° |
| C57 | C58 | H40 | 123.1° | 119.9° |
| N7 | C37 | C43 | 115.2° | 116.2° |
| C37 | N7 | RU2 | 114.7° | 109.8° |
| C37 | C43 | C42 | 117.5° | 119.4° |
| C37 | C43 | N9 | 118.1° | 118.1° |
| C43 | C42 | C41 | 120.0° | 118.5° |
| C42 | C43 | N9 | 124.3° | 122.4° |
| C42 | C41 | C40 | 115.0° | 119.2° |
| C42 | C41 | H28 | 122.5° | 120.9° |
| C43 | N9 | C39 | 117.8° | 117.5° |
| C43 | N9 | RU2 | 113.0° | 116.9° |
| N13 | C59 | C58 | 124.7° | 121.6° |
| N13 | C59 | C64 | 113.7° | 114.2° |
| C59 | N13 | RU2 | 117.7° | 131.0° |
| C58 | C59 | C64 | 121.5° | 123.9° |
| C59 | C58 | H40 | 123.1° | 120.8° |
| C46 | C45 | N11 | 123.6° | 123.7° |
| C45 | C46 | C47 | 116.2° | 118.3° |
| C46 | C45 | H29 | 118.2° | 118.4° |
| C45 | C46 | H30 | 121.9° | 120.8° |
| C45 | N11 | C49 | 116.9° | 118.3° |
| N11 | C45 | H29 | 118.2° | 118.0° |
| C45 | N11 | RU2 | 128.5° | 125.2° |
| C46 | C47 | C48 | 122.6° | 119.5° |
| C47 | C46 | H30 | 121.9° | 120.9° |
| C46 | C47 | H31 | 118.7° | 120.4° |
| C41 | C40 | C39 | 124.7° | 118.3° |
| C41 | C40 | H27 | 117.6° | 121.0° |
| C40 | C41 | H28 | 122.5° | 119.8° |
| C59 | C64 | N14 | 112.6° | 114.5° |
| C59 | C64 | C63 | 123.6° | 123.0° |
| N11 | C49 | C48 | 124.5° | 120.7° |
| N11 | C49 | C54 | 111.1° | 115.4° |
| C49 | N11 | RU2 | 114.6° | 114.3° |
| N9 | C39 | C40 | 117.7° | 124.1° |
| N9 | C39 | H26 | 121.2° | 118.0° |
| C39 | N9 | RU2 | 128.0° | 124.8° |
| C47 | C48 | C49 | 115.4° | 119.4° |
| C48 | C47 | H31 | 118.7° | 120.1° |
| C47 | C48 | H32 | 122.3° | 119.7° |
| C48 | C49 | C54 | 123.1° | 123.8° |
| C49 | C48 | H32 | 122.3° | 120.9° |
| C49 | C54 | N12 | 120.4° | 115.3° |
| C49 | C54 | C53 | 118.3° | 123.7° |
| C40 | C39 | H26 | 121.1° | 117.9° |
| C39 | C40 | H27 | 117.7° | 120.7° |
| N12 | C54 | C53 | 121.3° | 121.0° |
| C54 | N12 | C50 | 116.6° | 117.6° |
| C54 | N12 | RU2 | 110.9° | 109.2° |
| C54 | C53 | C52 | 120.5° | 119.7° |
| C54 | C53 | H36 | 119.8° | 120.8° |
| N12 | C50 | C51 | 123.5° | 124.0° |
| C50 | N12 | RU2 | 131.4° | 129.8° |
| N12 | C50 | H33 | 118.2° | 117.9° |
| N14 | C64 | C63 | 123.8° | 122.5° |
| C64 | N14 | C60 | 116.2° | 115.6° |
| C64 | N14 | RU2 | 119.0° | 109.8° |
| C64 | C63 | C62 | 119.2° | 119.5° |
| C64 | C63 | H44 | 120.4° | 120.7° |
| C53 | C52 | C51 | 116.4° | 119.4° |
| C53 | C52 | H35 | 121.8° | 120.2° |
| C52 | C53 | H36 | 119.7° | 119.6° |
| N14 | C60 | C61 | 124.0° | 124.6° |
| N14 | C60 | H41 | 118.0° | 117.9° |
| C60 | N14 | RU2 | 123.8° | 130.4° |
| C50 | C51 | C52 | 121.1° | 118.3° |
| C51 | C50 | H33 | 118.2° | 118.1° |
| C50 | C51 | H34 | 119.5° | 120.7° |
| C52 | C51 | H34 | 119.5° | 120.9° |
| C51 | C52 | H35 | 121.8° | 120.3° |
| C63 | C62 | C61 | 117.6° | 119.1° |
| C63 | C62 | H43 | 121.2° | 120.4° |
| C62 | C63 | H44 | 120.4° | 119.8° |
| C60 | C61 | C62 | 118.9° | 118.6° |
| C61 | C60 | H41 | 118.0° | 117.4° |
| C60 | C61 | H42 | 120.5° | 120.6° |
| C62 | C61 | H42 | 120.5° | 120.7° |
| C61 | C62 | H43 | 121.2° | 120.6° |
| N7 | RU2 | N12 | 92.4° | 64.2° |
| N7 | RU2 | N13 | 93.9° | 133.9° |
| N7 | RU2 | N9 | 78.6° | 77.2° |
| N7 | RU2 | N11 | 91.7° | 98.1° |
| N7 | RU2 | N14 | 167.0° | 72.1° |
| N1 | RU1 | N5 | 171.6° | 164.9° |
| N1 | RU1 | N4 | 94.8° | 85.4° |
| N1 | RU1 | N3 | 95.8° | 100.2° |
| N1 | RU1 | N2 | 77.8° | 75.7° |
| N1 | RU1 | N6 | 93.6° | 106.1° |
| N5 | RU1 | N4 | 92.5° | 90.9° |
| N5 | RU1 | N3 | 90.1° | 93.7° |
| N5 | RU1 | N2 | 97.2° | 91.6° |
| N5 | RU1 | N6 | 79.9° | 79.4° |
| N4 | RU1 | N3 | 75.3° | 81.4° |
| N4 | RU1 | N2 | 96.1° | 107.2° |
| N4 | RU1 | N6 | 168.0° | 167.2° |
| N12 | RU2 | N13 | 172.6° | 161.9° |
| N12 | RU2 | N9 | 94.1° | 95.4° |
| N12 | RU2 | N11 | 81.3° | 80.7° |
| N12 | RU2 | N14 | 97.8° | 133.0° |
| N13 | RU2 | N9 | 91.0° | 89.1° |
| N13 | RU2 | N11 | 94.6° | 95.6° |
| N13 | RU2 | N14 | 76.6° | 64.2° |
| N9 | RU2 | N11 | 169.2° | 174.9° |
| N9 | RU2 | N14 | 92.5° | 91.1° |
| N11 | RU2 | N14 | 97.8° | 89.3° |
| N3 | RU1 | N2 | 169.0° | 169.9° |
| N3 | RU1 | N6 | 95.3° | 90.8° |
| N2 | RU1 | N6 | 94.1° | 81.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H9 | 180.0° | 178.8° |
| C15 | C16 | C17 | H10 | 180.0° | 170.6° |
| C16 | C15 | C14 | C13 | 9.9° | 2.5° |
| C15 | C16 | C17 | C22 | 173.4° | 176.2° |
| C15 | C16 | C17 | N3 | 4.6° | 14.9° |
| C16 | C15 | C14 | H8 | 170.1° | 178.6° |
| C14 | C15 | C16 | C17 | 3.2° | 7.2° |
| C15 | C14 | C13 | H8 | 180.0° | 178.9° |
| C15 | C14 | C13 | N3 | 10.3° | 5.2° |
| C15 | C14 | C13 | H7 | 169.7° | 178.4° |
| C14 | C15 | C16 | H10 | 176.8° | 177.7° |
| C16 | C17 | C22 | C21 | 5.0° | 114.0° |
| C16 | C17 | C22 | N3 | 170.0° | 162.3° |
| C16 | C17 | C22 | N4 | 172.8° | 84.2° |
| C16 | C17 | N3 | C13 | 4.9° | 17.2° |
| C17 | C16 | C15 | H9 | 176.8° | 174.1° |
| C16 | C17 | N3 | RU1 | 164.9° | 107.8° |
| C20 | C21 | C22 | H14 | 180.0° | 168.4° |
| C21 | C20 | C19 | H13 | 180.0° | 178.2° |
| C20 | C21 | C22 | C17 | 173.0° | 177.5° |
| C20 | C21 | C22 | N4 | 9.5° | 16.7° |
| C21 | C20 | C19 | C18 | 3.5° | 2.5° |
| C21 | C20 | C19 | H12 | 176.5° | 177.3° |
| C22 | C21 | C20 | C19 | 11.3° | 8.2° |
| C21 | C22 | C17 | N4 | 177.8° | 161.9° |
| C21 | C22 | C17 | N3 | 175.0° | 83.7° |
| C21 | C22 | N4 | C18 | 0.9° | 18.6° |
| C21 | C22 | N4 | RU1 | 168.1° | 121.1° |
| C22 | C21 | C20 | H13 | 168.7° | 173.6° |
| C14 | C13 | N3 | C17 | 2.8° | 12.5° |
| C14 | C13 | N3 | H7 | 180.0° | 173.3° |
| C13 | C14 | C15 | H9 | 170.1° | 178.8° |
| C14 | C13 | N3 | RU1 | 171.6° | 101.6° |
| C20 | C19 | C18 | H12 | 180.0° | 179.8° |
| C20 | C19 | C18 | N4 | 7.7° | 5.0° |
| C19 | C20 | C21 | H14 | 168.7° | 176.5° |
| C20 | C19 | C18 | H11 | 172.3° | 178.2° |
| C22 | C17 | N3 | C13 | 174.7° | 179.5° |
| C17 | C22 | N4 | C18 | 176.8° | 179.7° |
| C17 | C22 | N4 | RU1 | 9.6° | 40.6° |
| C22 | C17 | C16 | H10 | 6.5° | 13.2° |
| C17 | C22 | C21 | H14 | 7.0° | 14.1° |
| C22 | C17 | N3 | RU1 | 4.9° | 54.5° |
| N3 | C17 | C22 | N4 | 2.7° | 78.1° |
| C17 | N3 | C13 | RU1 | 168.8° | 114.0° |
| C17 | N3 | RU1 | N1 | 101.0° | 106.1° |
| C17 | N3 | RU1 | N5 | 85.1° | 67.9° |
| C17 | N3 | RU1 | N4 | 7.5° | 22.4° |
| C17 | N3 | C13 | H7 | 177.3° | 174.3° |
| N3 | C17 | C16 | H10 | 175.3° | 174.5° |
| C17 | N3 | RU1 | N2 | 47.0° | 171.2° |
| C17 | N3 | RU1 | N6 | 164.9° | 147.3° |
| C22 | N4 | C18 | C19 | 9.5° | 12.8° |
| C22 | N4 | C18 | RU1 | 166.9° | 122.9° |
| C22 | N4 | RU1 | N1 | 104.2° | 91.3° |
| C22 | N4 | RU1 | N5 | 80.0° | 103.4° |
| N4 | C22 | C21 | H14 | 170.5° | 174.9° |
| C22 | N4 | RU1 | N3 | 9.5° | 9.8° |
| C22 | N4 | RU1 | N2 | 177.6° | 164.7° |
| C22 | N4 | RU1 | N6 | 30.1° | 62.9° |
| C22 | N4 | C18 | H11 | 170.5° | 174.0° |
| C13 | N3 | RU1 | N1 | 90.5° | 128.3° |
| C13 | N3 | RU1 | N5 | 83.4° | 57.7° |
| C13 | N3 | RU1 | N4 | 176.0° | 148.0° |
| N3 | C13 | C14 | H8 | 169.7° | 175.9° |
| C13 | N3 | RU1 | N2 | 144.5° | 63.2° |
| C13 | N3 | RU1 | N6 | 3.6° | 21.8° |
| C19 | C18 | N4 | H11 | 180.0° | 173.2° |
| C19 | C18 | N4 | RU1 | 176.4° | 110.2° |
| C18 | C19 | C20 | H13 | 176.5° | 179.3° |
| C18 | N4 | RU1 | N1 | 89.6° | 40.0° |
| C18 | N4 | RU1 | N5 | 86.2° | 125.3° |
| N4 | C18 | C19 | H12 | 172.3° | 174.9° |
| C18 | N4 | RU1 | N3 | 175.7° | 141.1° |
| C18 | N4 | RU1 | N2 | 11.3° | 33.4° |
| C18 | N4 | RU1 | N6 | 136.2° | 165.7° |
| C2 | C1 | N1 | H1 | 180.0° | 178.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | N1 | C5 | 1.9° | 2.4° |
| C1 | C2 | C3 | C4 | 4.3° | 0.3° |
| C2 | C1 | N1 | RU1 | 169.3° | 135.3° |
| C1 | C2 | C3 | H3 | 175.7° | 179.6° |
| N1 | C1 | C2 | C3 | 4.1° | 1.3° |
| C1 | N1 | C5 | RU1 | 172.0° | 149.4° |
| C1 | N1 | C5 | C4 | 0.4° | 2.1° |
| C1 | N1 | C5 | C11 | 168.4° | 178.9° |
| C1 | N1 | RU1 | N5 | 113.4° | 146.9° |
| C1 | N1 | RU1 | N4 | 96.6° | 70.8° |
| N1 | C1 | C2 | H2 | 175.9° | 178.6° |
| C1 | N1 | RU1 | N3 | 20.9° | 9.5° |
| C1 | N1 | RU1 | N2 | 168.2° | 180.0° |
| C1 | N1 | RU1 | N6 | 74.8° | 103.4° |
| C2 | C3 | C4 | H3 | 180.0° | 179.3° |
| C2 | C3 | C4 | C5 | 2.1° | 0.5° |
| C2 | C3 | C4 | C6 | 174.4° | 179.7° |
| C3 | C2 | C1 | H1 | 175.9° | 179.3° |
| N1 | C5 | C4 | C3 | 0.2° | 0.7° |
| N1 | C5 | C4 | C11 | 168.6° | 179.0° |
| N1 | C5 | C4 | C6 | 176.7° | 178.6° |
| N1 | C5 | C11 | N2 | 1.7° | 0.6° |
| N1 | C5 | C11 | C10 | 177.1° | 179.5° |
| C5 | N1 | RU1 | N5 | 57.9° | 4.8° |
| C5 | N1 | RU1 | N4 | 92.1° | 71.3° |
| C5 | N1 | C1 | H1 | 178.2° | 179.5° |
| C5 | N1 | RU1 | N3 | 167.8° | 151.7° |
| C5 | N1 | RU1 | N2 | 3.1° | 37.8° |
| C5 | N1 | RU1 | N6 | 96.5° | 114.4° |
| C3 | C4 | C5 | C6 | 176.5° | 179.3° |
| C3 | C4 | C5 | C11 | 168.4° | 179.7° |
| C3 | C4 | C6 | N8 | 7.8° | 0.2° |
| C3 | C4 | C6 | C12 | 179.5° | 179.8° |
| C4 | C3 | C2 | H2 | 175.7° | 179.8° |
| N5 | C23 | C24 | H15 | 180.0° | 178.4° |
| C23 | N5 | C27 | RU1 | 171.3° | 169.8° |
| N5 | C23 | C24 | C25 | 7.8° | 1.0° |
| C23 | N5 | C27 | C32 | 177.9° | 177.2° |
| C23 | N5 | C27 | C26 | 7.4° | 3.1° |
| C23 | N5 | RU1 | N1 | 143.0° | 59.2° |
| C23 | N5 | RU1 | N4 | 7.1° | 16.2° |
| N5 | C23 | C24 | H16 | 172.2° | 179.4° |
| C23 | N5 | RU1 | N3 | 82.4° | 97.6° |
| C23 | N5 | RU1 | N2 | 89.4° | 91.1° |
| C23 | N5 | RU1 | N6 | 177.8° | 172.3° |
| C24 | C23 | N5 | C27 | 7.9° | 0.7° |
| C23 | C24 | C25 | H16 | 180.0° | 179.6° |
| C23 | C24 | C25 | C26 | 6.3° | 0.3° |
| C24 | C23 | N5 | RU1 | 178.3° | 168.0° |
| C23 | C24 | C25 | H17 | 173.7° | 179.6° |
| C5 | C4 | C6 | N8 | 175.9° | 179.0° |
| C4 | C5 | C11 | N2 | 171.3° | 178.5° |
| C4 | C5 | C11 | C10 | 13.3° | 0.4° |
| C5 | C4 | C6 | C12 | 3.2° | 0.6° |
| C4 | C5 | N1 | RU1 | 172.4° | 147.3° |
| C5 | C4 | C3 | H3 | 177.9° | 179.8° |
| C11 | C5 | C4 | C6 | 8.1° | 0.5° |
| C5 | C11 | N2 | C10 | 175.1° | 178.9° |
| C5 | C11 | N2 | C7 | 179.0° | 176.8° |
| C5 | C11 | C10 | C12 | 7.7° | 1.1° |
| C5 | C11 | C10 | C9 | 176.0° | 180.0° |
| C11 | C5 | N1 | RU1 | 3.6° | 31.8° |
| C5 | C11 | N2 | RU1 | 1.0° | 34.8° |
| N5 | C27 | C32 | N6 | 8.8° | 8.9° |
| N5 | C27 | C32 | C26 | 170.8° | 173.9° |
| N5 | C27 | C26 | C25 | 6.3° | 3.8° |
| N5 | C27 | C32 | C31 | 169.8° | 171.4° |
| C27 | N5 | RU1 | N1 | 46.5° | 109.7° |
| C27 | N5 | RU1 | N4 | 163.4° | 174.9° |
| C27 | N5 | C23 | H15 | 172.1° | 177.7° |
| N5 | C27 | C26 | H18 | 173.6° | 178.3° |
| C27 | N5 | RU1 | N3 | 88.0° | 93.5° |
| C27 | N5 | RU1 | N2 | 100.2° | 77.8° |
| C27 | N5 | RU1 | N6 | 7.3° | 3.3° |
| C4 | C6 | N8 | C12 | 172.8° | 179.6° |
| C4 | C6 | N8 | C38 | 177.4° | 178.4° |
| C4 | C6 | C12 | C10 | 8.8° | 0.1° |
| C4 | C6 | C12 | N10 | 175.3° | 179.9° |
| C6 | C4 | C3 | H3 | 5.6° | 1.0° |
| C24 | C25 | C26 | C27 | 5.3° | 2.0° |
| C24 | C25 | C26 | H17 | 180.0° | 179.9° |
| C25 | C24 | C23 | H15 | 172.2° | 179.4° |
| C24 | C25 | C26 | H18 | 174.7° | 179.9° |
| C28 | N6 | C32 | RU1 | 176.1° | 174.6° |
| C28 | N6 | C32 | C27 | 178.9° | 179.5° |
| N6 | C28 | C29 | H19 | 180.0° | 179.5° |
| C28 | N6 | C32 | C31 | 0.2° | 0.3° |
| N6 | C28 | C29 | C30 | 10.8° | 0.4° |
| C28 | N6 | RU1 | N1 | 1.1° | 18.9° |
| C28 | N6 | RU1 | N5 | 173.5° | 175.6° |
| C28 | N6 | RU1 | N4 | 135.5° | 134.4° |
| N6 | C28 | C29 | H20 | 169.2° | 179.7° |
| C28 | N6 | RU1 | N3 | 97.3° | 82.0° |
| C28 | N6 | RU1 | N2 | 76.9° | 91.2° |
| N6 | C32 | C27 | C31 | 178.7° | 179.7° |
| N6 | C32 | C27 | C26 | 179.6° | 165.0° |
| C32 | N6 | C28 | C29 | 4.1° | 0.4° |
| N6 | C32 | C31 | C30 | 2.2° | 0.1° |
| C32 | N6 | RU1 | N1 | 176.7° | 167.2° |
| C32 | N6 | RU1 | N5 | 2.1° | 1.6° |
| C32 | N6 | RU1 | N4 | 48.9° | 39.6° |
| C32 | N6 | C28 | H19 | 175.9° | 179.9° |
| N6 | C32 | C31 | H22 | 177.8° | 180.0° |
| C32 | N6 | RU1 | N3 | 87.1° | 91.9° |
| C32 | N6 | RU1 | N2 | 98.7° | 94.9° |
| C32 | C27 | C26 | C25 | 176.2° | 177.3° |
| C27 | C32 | C31 | C30 | 176.3° | 179.6° |
| C32 | C27 | N5 | RU1 | 10.8° | 7.3° |
| C32 | C27 | C26 | H18 | 3.7° | 4.8° |
| C27 | C32 | C31 | H22 | 3.7° | 0.3° |
| C27 | C32 | N6 | RU1 | 2.8° | 5.9° |
| C27 | C26 | C25 | H18 | 180.0° | 177.9° |
| C26 | C27 | C32 | C31 | 1.0° | 14.7° |
| C26 | C27 | N5 | RU1 | 178.6° | 166.7° |
| C27 | C26 | C25 | H17 | 174.7° | 178.1° |
| C26 | C25 | C24 | H16 | 173.7° | 179.9° |
| C28 | C29 | C30 | H20 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 13.1° | 0.2° |
| C28 | C29 | C30 | H21 | 166.9° | 180.0° |
| C29 | C28 | N6 | RU1 | 179.7° | 173.3° |
| C6 | N8 | C38 | C36 | 169.4° | 178.8° |
| C6 | N8 | C38 | C44 | 2.4° | 1.5° |
| N8 | C6 | C12 | C10 | 178.8° | 179.7° |
| N8 | C6 | C12 | N10 | 2.9° | 0.5° |
| C38 | N8 | C6 | C12 | 4.7° | 1.2° |
| N8 | C38 | C36 | C35 | 2.7° | 0.7° |
| N8 | C38 | C36 | C44 | 172.1° | 179.7° |
| N8 | C38 | C36 | C37 | 172.5° | 179.5° |
| N8 | C38 | C44 | N10 | 1.7° | 0.1° |
| N8 | C38 | C44 | C42 | 177.2° | 179.5° |
| C11 | N2 | C7 | RU1 | 180.0° | 141.1° |
| N2 | C11 | C10 | C12 | 177.2° | 177.8° |
| N2 | C11 | C10 | C9 | 0.9° | 1.1° |
| C11 | N2 | C7 | C8 | 6.8° | 5.3° |
| C11 | N2 | RU1 | N1 | 2.1° | 38.4° |
| C11 | N2 | RU1 | N5 | 175.2° | 133.4° |
| C11 | N2 | RU1 | N4 | 91.5° | 42.0° |
| C11 | N2 | C7 | H4 | 173.2° | 178.8° |
| C11 | N2 | RU1 | N3 | 53.3° | 105.6° |
| C11 | N2 | RU1 | N6 | 94.9° | 147.6° |
| C11 | C10 | C12 | C6 | 3.3° | 0.9° |
| C10 | C11 | N2 | C7 | 5.8° | 4.3° |
| C11 | C10 | C12 | C9 | 176.3° | 178.9° |
| C11 | C10 | C12 | N10 | 178.6° | 179.2° |
| C11 | C10 | C9 | C8 | 3.2° | 1.3° |
| C11 | C10 | C9 | H6 | 176.7° | 179.5° |
| C10 | C11 | N2 | RU1 | 174.2° | 144.1° |
| C6 | C12 | C10 | N10 | 175.3° | 179.8° |
| C6 | C12 | C10 | C9 | 173.0° | 179.8° |
| C6 | C12 | N10 | C44 | 1.2° | 1.9° |
| C32 | C31 | C30 | C29 | 9.1° | 0.1° |
| C32 | C31 | C30 | H22 | 180.0° | 179.9° |
| C32 | C31 | C30 | H21 | 170.9° | 179.9° |
| C31 | C32 | N6 | RU1 | 175.9° | 174.4° |
| N2 | C7 | C8 | H4 | 180.0° | 176.0° |
| N2 | C7 | C8 | C9 | 2.8° | 3.0° |
| C7 | N2 | RU1 | N1 | 177.9° | 176.9° |
| C7 | N2 | RU1 | N5 | 4.8° | 11.3° |
| C7 | N2 | RU1 | N4 | 88.5° | 102.7° |
| N2 | C7 | C8 | H5 | 177.2° | 177.1° |
| C7 | N2 | RU1 | N3 | 126.7° | 109.7° |
| C7 | N2 | RU1 | N6 | 85.1° | 67.7° |
| C34 | C35 | C36 | H25 | 180.0° | 178.8° |
| C35 | C34 | C33 | H24 | 180.0° | 179.5° |
| C34 | C35 | C36 | C38 | 175.7° | 180.0° |
| C34 | C35 | C36 | C37 | 8.8° | 1.1° |
| C35 | C34 | C33 | N7 | 8.1° | 2.4° |
| C35 | C34 | C33 | H23 | 171.9° | 178.5° |
| C36 | C35 | C34 | C33 | 14.1° | 0.0° |
| C35 | C36 | C38 | C37 | 175.2° | 178.9° |
| C35 | C36 | C38 | C44 | 174.8° | 179.6° |
| C35 | C36 | C37 | N7 | 1.9° | 0.1° |
| C35 | C36 | C37 | C43 | 176.3° | 179.9° |
| C36 | C35 | C34 | H24 | 165.9° | 179.5° |
| C34 | C33 | N7 | H23 | 180.0° | 176.1° |
| C34 | C33 | N7 | C37 | 2.5° | 3.4° |
| C34 | C33 | N7 | RU2 | 176.1° | 168.8° |
| C33 | C34 | C35 | H25 | 165.9° | 178.7° |
| C29 | C30 | C31 | H21 | 180.0° | 179.8° |
| C30 | C29 | C28 | H19 | 169.2° | 179.9° |
| C29 | C30 | C31 | H22 | 170.9° | 180.0° |
| C36 | C38 | C44 | N10 | 174.0° | 179.9° |
| C36 | C38 | C44 | C42 | 4.8° | 0.2° |
| C38 | C36 | C37 | N7 | 173.7° | 179.0° |
| C38 | C36 | C37 | C43 | 0.7° | 1.0° |
| C38 | C36 | C35 | H25 | 4.4° | 1.2° |
| C38 | C44 | N10 | C12 | 3.5° | 1.6° |
| C44 | C38 | C36 | C37 | 0.4° | 0.7° |
| C38 | C44 | N10 | C42 | 178.9° | 179.7° |
| C38 | C44 | C42 | C43 | 8.3° | 0.9° |
| C38 | C44 | C42 | C41 | 173.5° | 179.8° |
| C31 | C30 | C29 | H20 | 166.9° | 179.9° |
| C10 | C12 | N10 | C44 | 174.0° | 178.3° |
| C12 | C10 | C9 | C8 | 173.3° | 179.9° |
| C12 | C10 | C9 | H6 | 6.7° | 1.6° |
| C9 | C10 | C12 | N10 | 2.3° | 0.4° |
| C10 | C9 | C8 | C7 | 2.3° | 0.4° |
| C10 | C9 | C8 | H6 | 180.0° | 178.2° |
| C10 | C9 | C8 | H5 | 177.7° | 179.5° |
| C12 | N10 | C44 | C42 | 175.4° | 178.8° |
| C36 | C37 | N7 | C33 | 7.6° | 2.1° |
| C36 | C37 | N7 | C43 | 174.7° | 180.0° |
| C36 | C37 | C43 | C42 | 2.6° | 0.3° |
| C36 | C37 | C43 | N9 | 175.8° | 179.3° |
| C36 | C37 | N7 | RU2 | 171.1° | 171.8° |
| C37 | C36 | C35 | H25 | 171.2° | 179.9° |
| C7 | C8 | C9 | H5 | 180.0° | 179.9° |
| C7 | C8 | C9 | H6 | 177.6° | 178.7° |
| C8 | C7 | N2 | RU1 | 173.3° | 135.8° |
| C55 | C56 | C57 | H38 | 180.0° | 179.3° |
| C56 | C55 | N13 | H37 | 180.0° | 177.2° |
| C55 | C56 | C57 | C58 | 4.0° | 0.5° |
| C56 | C55 | N13 | C59 | 0.6° | 0.7° |
| C56 | C55 | N13 | RU2 | 178.0° | 171.0° |
| C55 | C56 | C57 | H39 | 176.0° | 179.4° |
| C57 | C56 | C55 | N13 | 3.7° | 1.9° |
| C56 | C57 | C58 | H39 | 180.0° | 179.9° |
| C56 | C57 | C58 | C59 | 0.0° | 1.8° |
| C57 | C56 | C55 | H37 | 176.2° | 179.0° |
| C56 | C57 | C58 | H40 | 180.0° | 179.9° |
| C33 | N7 | C37 | RU2 | 178.7° | 173.9° |
| C33 | N7 | C37 | C43 | 177.7° | 177.9° |
| C33 | N7 | RU2 | N12 | 89.6° | 74.5° |
| C33 | N7 | RU2 | N13 | 86.4° | 107.0° |
| N7 | C33 | C34 | H24 | 171.9° | 178.1° |
| C33 | N7 | RU2 | N9 | 176.6° | 176.9° |
| C33 | N7 | RU2 | N11 | 8.3° | 1.0° |
| C33 | N7 | RU2 | N14 | 128.8° | 87.6° |
| C55 | N13 | C59 | RU2 | 177.6° | 169.7° |
| C55 | N13 | C59 | C58 | 5.1° | 1.8° |
| C55 | N13 | C59 | C64 | 179.9° | 176.8° |
| C55 | N13 | RU2 | N7 | 5.1° | 168.7° |
| C55 | N13 | RU2 | N12 | 142.5° | 7.1° |
| N13 | C55 | C56 | H38 | 176.3° | 178.8° |
| C55 | N13 | RU2 | N9 | 83.8° | 97.5° |
| C55 | N13 | RU2 | N11 | 87.0° | 84.3° |
| C55 | N13 | RU2 | N14 | 176.1° | 170.8° |
| N10 | C44 | C42 | C43 | 170.6° | 179.4° |
| N10 | C44 | C42 | C41 | 5.4° | 0.1° |
| C44 | C42 | C43 | C37 | 6.8° | 0.7° |
| C44 | C42 | C43 | C41 | 165.1° | 179.3° |
| C44 | C42 | C43 | N9 | 171.5° | 179.8° |
| C44 | C42 | C41 | C40 | 171.9° | 179.7° |
| C44 | C42 | C41 | H28 | 8.1° | 0.8° |
| C9 | C8 | C7 | H4 | 177.2° | 178.9° |
| C57 | C58 | C59 | N13 | 4.9° | 3.0° |
| C57 | C58 | C59 | H40 | 180.0° | 178.1° |
| C57 | C58 | C59 | C64 | 179.5° | 177.6° |
| C58 | C57 | C56 | H38 | 176.0° | 179.9° |
| N7 | C37 | C43 | C42 | 177.5° | 179.8° |
| N7 | C37 | C43 | N9 | 1.0° | 0.7° |
| C37 | N7 | RU2 | N12 | 89.0° | 112.9° |
| C37 | N7 | RU2 | N13 | 94.9° | 65.7° |
| C37 | N7 | C33 | H23 | 177.5° | 179.5° |
| C37 | N7 | RU2 | N9 | 4.7° | 10.4° |
| C37 | N7 | RU2 | N11 | 170.3° | 171.6° |
| C37 | N7 | RU2 | N14 | 52.5° | 85.0° |
| C37 | C43 | C42 | N9 | 178.4° | 179.5° |
| C37 | C43 | C42 | C41 | 171.9° | 180.0° |
| C37 | C43 | N9 | C39 | 173.6° | 178.9° |
| C43 | C37 | N7 | RU2 | 3.6° | 8.2° |
| C37 | C43 | N9 | RU2 | 5.0° | 10.9° |
| C43 | C42 | C41 | C40 | 6.8° | 1.0° |
| C42 | C43 | N9 | C39 | 4.7° | 0.6° |
| C43 | C42 | C41 | H28 | 173.2° | 179.9° |
| C42 | C43 | N9 | RU2 | 173.4° | 169.6° |
| C41 | C42 | C43 | N9 | 6.5° | 0.5° |
| C42 | C41 | C40 | H28 | 180.0° | 179.0° |
| C42 | C41 | C40 | C39 | 6.7° | 0.4° |
| C42 | C41 | C40 | H27 | 173.3° | 179.6° |
| C43 | N9 | C39 | RU2 | 166.7° | 169.3° |
| C43 | N9 | C39 | C40 | 3.9° | 1.2° |
| C43 | N9 | RU2 | N7 | 5.1° | 11.3° |
| C43 | N9 | RU2 | N12 | 86.5° | 73.2° |
| C43 | N9 | RU2 | N13 | 98.9° | 124.3° |
| C43 | N9 | C39 | H26 | 176.0° | 179.9° |
| C43 | N9 | RU2 | N11 | 22.2° | 35.0° |
| C43 | N9 | RU2 | N14 | 175.5° | 60.1° |
| N13 | C59 | C58 | C64 | 174.6° | 174.6° |
| N13 | C59 | C64 | N14 | 6.3° | 11.3° |
| N13 | C59 | C64 | C63 | 174.2° | 165.6° |
| C59 | N13 | RU2 | N7 | 172.2° | 1.5° |
| C59 | N13 | RU2 | N12 | 40.2° | 177.4° |
| C59 | N13 | C55 | H37 | 179.4° | 177.9° |
| N13 | C59 | C58 | H40 | 175.1° | 178.9° |
| C59 | N13 | RU2 | N9 | 93.5° | 72.8° |
| C59 | N13 | RU2 | N11 | 95.8° | 105.5° |
| C59 | N13 | RU2 | N14 | 1.2° | 18.9° |
| C58 | C59 | C64 | N14 | 178.6° | 163.7° |
| C58 | C59 | C64 | C63 | 1.0° | 19.4° |
| C58 | C59 | N13 | RU2 | 177.3° | 171.5° |
| C59 | C58 | C57 | H39 | 180.0° | 178.3° |
| C46 | C45 | N11 | H29 | 180.0° | 179.2° |
| C45 | C46 | C47 | H30 | 180.0° | 179.8° |
| C46 | C45 | N11 | C49 | 8.8° | 1.6° |
| C45 | C46 | C47 | C48 | 4.7° | 0.1° |
| C45 | C46 | C47 | H31 | 175.3° | 179.8° |
| C46 | C45 | N11 | RU2 | 169.9° | 161.0° |
| N11 | C45 | C46 | C47 | 4.4° | 0.7° |
| C45 | N11 | C49 | RU2 | 178.9° | 164.4° |
| C45 | N11 | C49 | C48 | 4.4° | 2.0° |
| C45 | N11 | C49 | C54 | 171.5° | 179.9° |
| C45 | N11 | RU2 | N7 | 99.9° | 115.7° |
| C45 | N11 | RU2 | N12 | 168.0° | 177.7° |
| C45 | N11 | RU2 | N13 | 5.8° | 20.1° |
| N11 | C45 | C46 | H30 | 175.6° | 179.5° |
| C45 | N11 | RU2 | N9 | 126.6° | 139.0° |
| C45 | N11 | RU2 | N14 | 71.3° | 43.9° |
| C46 | C47 | C48 | H31 | 180.0° | 179.9° |
| C46 | C47 | C48 | C49 | 8.4° | 0.5° |
| C47 | C46 | C45 | H29 | 175.5° | 179.9° |
| C46 | C47 | C48 | H32 | 171.6° | 180.0° |
| C41 | C40 | C39 | N9 | 5.3° | 0.7° |
| C41 | C40 | C39 | H27 | 180.0° | 180.0° |
| C41 | C40 | C39 | H26 | 174.7° | 179.6° |
| C59 | C64 | N14 | C63 | 179.6° | 176.9° |
| C59 | C64 | N14 | C60 | 176.6° | 177.6° |
| C59 | C64 | C63 | C62 | 175.7° | 180.0° |
| C64 | C59 | N13 | RU2 | 2.3° | 13.4° |
| C64 | C59 | C58 | H40 | 0.5° | 4.3° |
| C59 | C64 | C63 | H44 | 4.3° | 0.9° |
| C59 | C64 | N14 | RU2 | 7.6° | 23.1° |
| N11 | C49 | C48 | C47 | 3.8° | 1.4° |
| N11 | C49 | C48 | C54 | 165.5° | 177.8° |
| N11 | C49 | C54 | N12 | 3.0° | 2.3° |
| N11 | C49 | C54 | C53 | 175.0° | 175.9° |
| C49 | N11 | RU2 | N7 | 81.4° | 81.1° |
| C49 | N11 | RU2 | N12 | 10.7° | 19.1° |
| C49 | N11 | RU2 | N13 | 175.5° | 143.1° |
| C49 | N11 | C45 | H29 | 171.2° | 179.2° |
| N11 | C49 | C48 | H32 | 176.2° | 179.1° |
| C49 | N11 | RU2 | N9 | 54.7° | 57.8° |
| C49 | N11 | RU2 | N14 | 107.4° | 152.9° |
| N9 | C39 | C40 | H26 | 180.0° | 178.9° |
| C39 | N9 | RU2 | N7 | 172.4° | 179.3° |
| C39 | N9 | RU2 | N12 | 80.8° | 117.4° |
| C39 | N9 | RU2 | N13 | 93.9° | 45.1° |
| N9 | C39 | C40 | H27 | 174.8° | 179.3° |
| C39 | N9 | RU2 | N11 | 145.1° | 155.6° |
| C39 | N9 | RU2 | N14 | 17.2° | 109.3° |
| C47 | C48 | C49 | H32 | 180.0° | 179.4° |
| C47 | C48 | C49 | C54 | 161.7° | 179.2° |
| C48 | C47 | C46 | H30 | 175.3° | 179.9° |
| C48 | C49 | C54 | N12 | 164.2° | 179.8° |
| C48 | C49 | C54 | C53 | 17.8° | 2.0° |
| C49 | C48 | C47 | H31 | 171.6° | 179.4° |
| C48 | C49 | N11 | RU2 | 174.4° | 162.5° |
| C49 | C54 | N12 | C53 | 178.0° | 178.2° |
| C49 | C54 | N12 | C50 | 179.3° | 178.0° |
| C49 | C54 | C53 | C52 | 175.9° | 178.9° |
| C49 | C54 | N12 | RU2 | 11.6° | 16.9° |
| C54 | C49 | C48 | H32 | 18.3° | 1.3° |
| C49 | C54 | C53 | H36 | 4.1° | 1.9° |
| C54 | C49 | N11 | RU2 | 7.4° | 15.5° |
| C39 | C40 | C41 | H28 | 173.3° | 179.4° |
| C40 | C39 | N9 | RU2 | 170.7° | 168.1° |
| C54 | N12 | C50 | RU2 | 166.4° | 156.4° |
| N12 | C54 | C53 | C52 | 6.1° | 0.8° |
| C54 | N12 | C50 | C51 | 2.3° | 1.5° |
| C54 | N12 | RU2 | N7 | 79.7° | 123.4° |
| C54 | N12 | RU2 | N13 | 67.9° | 59.9° |
| C54 | N12 | C50 | H33 | 177.7° | 179.4° |
| N12 | C54 | C53 | H36 | 173.9° | 180.0° |
| C54 | N12 | RU2 | N9 | 158.5° | 163.5° |
| C54 | N12 | RU2 | N11 | 11.6° | 19.6° |
| C54 | N12 | RU2 | N14 | 108.4° | 99.9° |
| C53 | C54 | N12 | C50 | 2.8° | 0.3° |
| C54 | C53 | C52 | H36 | 180.0° | 179.3° |
| C54 | C53 | C52 | C51 | 8.4° | 0.6° |
| C53 | C54 | N12 | RU2 | 166.3° | 161.3° |
| C54 | C53 | C52 | H35 | 171.7° | 179.3° |
| N12 | C50 | C51 | H33 | 180.0° | 177.9° |
| N12 | C50 | C51 | C52 | 5.1° | 1.6° |
| C50 | N12 | RU2 | N7 | 87.3° | 78.6° |
| C50 | N12 | RU2 | N13 | 125.1° | 98.1° |
| N12 | C50 | C51 | H34 | 174.9° | 178.9° |
| C50 | N12 | RU2 | N9 | 8.5° | 5.6° |
| C50 | N12 | RU2 | N11 | 178.6° | 177.6° |
| C50 | N12 | RU2 | N14 | 84.6° | 102.2° |
| C64 | N14 | C60 | RU2 | 168.4° | 154.2° |
| N14 | C64 | C63 | C62 | 4.8° | 3.4° |
| C64 | N14 | C60 | C61 | 0.1° | 5.6° |
| C64 | N14 | RU2 | N7 | 48.8° | 143.5° |
| C64 | N14 | RU2 | N12 | 170.0° | 165.7° |
| C64 | N14 | RU2 | N13 | 5.1° | 21.2° |
| C64 | N14 | C60 | H41 | 179.9° | 178.1° |
| N14 | C64 | C63 | H44 | 175.2° | 177.6° |
| C64 | N14 | RU2 | N9 | 95.5° | 67.3° |
| C64 | N14 | RU2 | N11 | 87.8° | 117.8° |
| C63 | C64 | N14 | C60 | 3.8° | 5.5° |
| C64 | C63 | C62 | H44 | 180.0° | 179.1° |
| C64 | C63 | C62 | C61 | 1.6° | 0.8° |
| C64 | C63 | C62 | H43 | 178.4° | 179.3° |
| C63 | C64 | N14 | RU2 | 172.9° | 153.9° |
| C53 | C52 | C51 | C50 | 7.9° | 0.5° |
| C53 | C52 | C51 | H35 | 180.0° | 180.0° |
| C53 | C52 | C51 | H34 | 172.2° | 180.0° |
| N14 | C60 | C61 | H41 | 180.0° | 176.3° |
| N14 | C60 | C61 | C62 | 2.9° | 3.4° |
| C60 | N14 | RU2 | N7 | 143.0° | 11.8° |
| C60 | N14 | RU2 | N12 | 1.9° | 10.4° |
| C60 | N14 | RU2 | N13 | 173.2° | 176.5° |
| N14 | C60 | C61 | H42 | 177.1° | 177.3° |
| C60 | N14 | RU2 | N9 | 96.4° | 88.0° |
| C60 | N14 | RU2 | N11 | 80.3° | 86.9° |
| C50 | C51 | C52 | H34 | 180.0° | 179.5° |
| C51 | C50 | N12 | RU2 | 164.1° | 157.9° |
| C50 | C51 | C52 | H35 | 172.2° | 179.6° |
| C52 | C51 | C50 | H33 | 174.9° | 179.5° |
| C51 | C52 | C53 | H36 | 171.6° | 179.9° |
| C63 | C62 | C61 | C60 | 1.9° | 0.8° |
| C63 | C62 | C61 | H43 | 180.0° | 179.9° |
| C63 | C62 | C61 | H42 | 178.1° | 179.9° |
| C60 | C61 | C62 | H42 | 180.0° | 179.2° |
| C60 | C61 | C62 | H43 | 178.0° | 179.3° |
| C61 | C60 | N14 | RU2 | 168.4° | 148.5° |
| C62 | C61 | C60 | H41 | 177.1° | 179.7° |
| C61 | C62 | C63 | H44 | 178.4° | 179.9° |
| N7 | RU2 | N12 | N13 | 147.6° | 176.7° |
| N7 | RU2 | N12 | N9 | 78.8° | 73.0° |
| N7 | RU2 | N12 | N11 | 91.4° | 103.8° |
| N7 | RU2 | N12 | N14 | 171.9° | 23.6° |
| N7 | RU2 | N13 | N9 | 78.7° | 71.2° |
| N7 | RU2 | N13 | N11 | 92.0° | 107.0° |
| N7 | RU2 | N13 | N14 | 171.0° | 20.5° |
| RU2 | N7 | C33 | H23 | 3.9° | 7.3° |
| N7 | RU2 | N9 | N11 | 27.3° | 23.7° |
| N7 | RU2 | N9 | N14 | 170.4° | 71.4° |
| N7 | RU2 | N11 | N14 | 171.1° | 71.8° |
| N1 | RU1 | N5 | N4 | 150.1° | 75.4° |
| N1 | RU1 | N5 | N3 | 134.6° | 156.8° |
| N1 | RU1 | N5 | N2 | 53.7° | 31.9° |
| N1 | RU1 | N5 | N6 | 39.2° | 113.0° |
| N1 | RU1 | N4 | N3 | 94.7° | 101.1° |
| N1 | RU1 | N4 | N2 | 78.2° | 73.4° |
| N1 | RU1 | N4 | N6 | 134.3° | 154.3° |
| RU1 | N1 | C1 | H1 | 10.7° | 42.8° |
| N1 | RU1 | N3 | N2 | 54.0° | 65.1° |
| N1 | RU1 | N3 | N6 | 94.1° | 106.5° |
| N1 | RU1 | N2 | N6 | 92.8° | 109.1° |
| N5 | RU1 | N4 | N3 | 89.5° | 93.6° |
| N5 | RU1 | N4 | N2 | 97.5° | 91.9° |
| N5 | RU1 | N4 | N6 | 49.9° | 40.4° |
| RU1 | N5 | C23 | H15 | 1.7° | 13.6° |
| N5 | RU1 | N3 | N2 | 132.0° | 120.9° |
| N5 | RU1 | N3 | N6 | 79.8° | 79.4° |
| N5 | RU1 | N2 | N6 | 80.3° | 79.0° |
| N4 | RU1 | N3 | N2 | 39.5° | 148.8° |
| N4 | RU1 | N3 | N6 | 172.4° | 169.8° |
| N4 | RU1 | N2 | N6 | 173.6° | 170.5° |
| RU1 | N4 | C18 | H11 | 3.6° | 63.1° |
| N12 | RU2 | N13 | N9 | 133.8° | 104.6° |
| N12 | RU2 | N13 | N11 | 55.5° | 77.1° |
| N12 | RU2 | N13 | N14 | 41.4° | 163.7° |
| RU2 | N12 | C50 | H33 | 15.9° | 24.2° |
| N12 | RU2 | N9 | N11 | 64.3° | 38.3° |
| N12 | RU2 | N9 | N14 | 98.0° | 133.4° |
| N12 | RU2 | N11 | N14 | 96.8° | 133.9° |
| RU2 | N13 | C55 | H37 | 2.0° | 6.2° |
| N13 | RU2 | N9 | N11 | 121.0° | 159.3° |
| N13 | RU2 | N9 | N14 | 76.7° | 64.2° |
| N13 | RU2 | N11 | N14 | 77.1° | 64.0° |
| H1 | C1 | C2 | H2 | 4.1° | 0.5° |
| H2 | C2 | C3 | H3 | 4.3° | 0.6° |
| H4 | C7 | C8 | H5 | 2.9° | 1.1° |
| H4 | C7 | N2 | RU1 | 6.8° | 40.1° |
| H5 | C8 | C9 | H6 | 2.4° | 1.2° |
| H7 | C13 | C14 | H8 | 10.3° | 2.7° |
| H7 | C13 | N3 | RU1 | 8.4° | 71.7° |
| H8 | C14 | C15 | H9 | 9.9° | 0.1° |
| H9 | C15 | C16 | H10 | 3.2° | 3.5° |
| H12 | C19 | C20 | H13 | 3.5° | 0.9° |
| H12 | C19 | C18 | H11 | 7.7° | 1.6° |
| H13 | C20 | C21 | H14 | 11.3° | 5.3° |
| H15 | C23 | C24 | H16 | 7.8° | 1.0° |
| H16 | C24 | C25 | H17 | 6.3° | 0.0° |
| H17 | C25 | C26 | H18 | 5.3° | 0.2° |
| H19 | C28 | C29 | H20 | 10.8° | 0.2° |
| H19 | C28 | N6 | RU1 | 0.3° | 6.2° |
| H20 | C29 | C30 | H21 | 13.1° | 0.1° |
| H21 | C30 | C31 | H22 | 9.1° | 0.2° |
| H23 | C33 | C34 | H24 | 8.1° | 2.0° |
| H24 | C34 | C35 | H25 | 14.1° | 0.7° |
| H26 | C39 | C40 | H27 | 5.3° | 0.4° |
| H26 | C39 | N9 | RU2 | 9.3° | 10.7° |
| H27 | C40 | C41 | H28 | 6.7° | 0.7° |
| H29 | C45 | C46 | H30 | 4.5° | 0.3° |
| H29 | C45 | N11 | RU2 | 10.1° | 18.2° |
| H30 | C46 | C47 | H31 | 4.7° | 0.0° |
| H31 | C47 | C48 | H32 | 8.4° | 0.0° |
| H33 | C50 | C51 | H34 | 5.0° | 1.0° |
| H34 | C51 | C52 | H35 | 7.8° | 0.1° |
| H35 | C52 | C53 | H36 | 8.4° | 0.0° |
| H37 | C55 | C56 | H38 | 3.8° | 1.6° |
| H38 | C56 | C57 | H39 | 4.0° | 0.0° |
| H39 | C57 | C58 | H40 | 0.0° | 0.2° |
| H41 | C60 | C61 | H42 | 2.9° | 1.0° |
| H41 | C60 | N14 | RU2 | 11.6° | 27.7° |
| H42 | C61 | C62 | H43 | 1.9° | 0.1° |
| H43 | C62 | C63 | H44 | 1.6° | 0.2° |
| N9 | RU2 | N11 | N14 | 162.2° | 95.2° |
| N3 | RU1 | N2 | N6 | 148.2° | 42.0° |
