6N5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.64Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C9 | O21 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.51Å | 1.42Å | |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N22 | sing | 1.46Å | 1.46Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C23 | sing | 1.35Å | 1.34Å | |
| C23 | O49 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C40 | C24 | sing | 1.53Å | 1.51Å | |
| C40 | C41 | sing | 1.51Å | 1.41Å | |
| C24 | N25 | sing | 1.47Å | 1.47Å | |
| C42 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| N25 | C26 | sing | 1.35Å | 1.34Å | |
| C43 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| O39 | C26 | doub | 1.21Å | 1.23Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C48 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C44 | C47 | doub | 1.39Å | 1.39Å | Aromatic |
| C44 | O45 | sing | 1.36Å | 1.37Å | |
| C38 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | N28 | sing | 1.47Å | 1.48Å | |
| O45 | C46 | sing | 1.43Å | 1.44Å | |
| N28 | C60 | sing | 1.35Å | 1.35Å | |
| O61 | C60 | doub | 1.22Å | 1.23Å | |
| C60 | C50 | sing | 1.47Å | 1.35Å | |
| C50 | C51 | doub | 1.38Å | 1.41Å | |
| C50 | C58 | sing | 1.46Å | 1.34Å | |
| C51 | C52 | sing | 1.46Å | 1.37Å | |
| C58 | C59 | sing | 1.51Å | 1.54Å | |
| C58 | C57 | doub | 1.36Å | 1.33Å | |
| C52 | C57 | sing | 1.48Å | 1.34Å | |
| C52 | C53 | doub | 1.35Å | 1.34Å | |
| C57 | C56 | sing | 1.47Å | 1.34Å | |
| C53 | C54 | sing | 1.51Å | 1.39Å | |
| C56 | C55 | doub | 1.33Å | 1.39Å | |
| C54 | C55 | sing | 1.51Å | 1.39Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C59 | H8 | sing | 1.09Å | 1.10Å | |
| C59 | H9 | sing | 1.09Å | 1.10Å | |
| C59 | H10 | sing | 1.09Å | 1.10Å | |
| C56 | H11 | sing | 1.08Å | 1.08Å | |
| C55 | H12 | sing | 1.08Å | 1.08Å | |
| C54 | H13 | sing | 1.09Å | 1.10Å | |
| C54 | H14 | sing | 1.09Å | 1.10Å | |
| C53 | H15 | sing | 1.08Å | 1.08Å | |
| C51 | H16 | sing | 1.08Å | 1.08Å | |
| N28 | H17 | sing | 0.97Å | 1.00Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| N25 | H22 | sing | 0.97Å | 1.00Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C48 | H25 | sing | 1.08Å | 1.08Å | |
| C47 | H26 | sing | 1.08Å | 1.08Å | |
| C46 | H27 | sing | 1.09Å | 1.10Å | |
| C46 | H28 | sing | 1.09Å | 1.10Å | |
| C46 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.08Å | 1.08Å | |
| C42 | H31 | sing | 1.08Å | 1.08Å | |
| N22 | H32 | sing | 0.97Å | 1.00Å | |
| C3 | H33 | sing | 1.08Å | 1.08Å | |
| C2 | H34 | sing | 1.08Å | 1.08Å | |
| C1 | H35 | sing | 1.08Å | 1.08Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| O21 | H37 | sing | 0.97Å | 0.95Å | |
| C11 | H38 | sing | 1.09Å | 1.10Å | |
| C11 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å | |
| O13 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 114.3° | 109.5° |
| C9 | C10 | C12 | 108.7° | 109.5° |
| C10 | C9 | O21 | 109.9° | 109.5° |
| C10 | C9 | C8 | 118.7° | 109.5° |
| C9 | C10 | H6 | 108.0° | 109.5° |
| C10 | C9 | H36 | 105.1° | 109.5° |
| C11 | C10 | C12 | 107.5° | 109.5° |
| C11 | C10 | H6 | 108.8° | 109.5° |
| C10 | C11 | H38 | 109.5° | 109.5° |
| C10 | C11 | H39 | 109.5° | 109.5° |
| C10 | C11 | H40 | 109.5° | 109.5° |
| C10 | C12 | O13 | 105.4° | 109.5° |
| C12 | C10 | H6 | 109.4° | 109.5° |
| C10 | C12 | H41 | 110.5° | 109.5° |
| C10 | C12 | H42 | 110.5° | 109.5° |
| O21 | C9 | C8 | 109.0° | 109.5° |
| O21 | C9 | H36 | 107.4° | 109.4° |
| C9 | O21 | H37 | 109.5° | 114.0° |
| C9 | C8 | C7 | 107.1° | 109.5° |
| C9 | C8 | N22 | 109.8° | 109.5° |
| C9 | C8 | H5 | 110.3° | 109.4° |
| C8 | C9 | H36 | 106.2° | 109.5° |
| C8 | C7 | C6 | 114.6° | 109.5° |
| C7 | C8 | N22 | 107.8° | 109.5° |
| C8 | C7 | H3 | 108.2° | 109.5° |
| C8 | C7 | H4 | 108.2° | 109.5° |
| C7 | C8 | H5 | 110.4° | 109.5° |
| C7 | C6 | C1 | 116.4° | 120.0° |
| C7 | C6 | C5 | 126.0° | 119.9° |
| C6 | C7 | H3 | 108.2° | 109.4° |
| C6 | C7 | H4 | 108.2° | 109.5° |
| O13 | C12 | H41 | 110.5° | 109.5° |
| O13 | C12 | H42 | 110.5° | 109.5° |
| C12 | O13 | H43 | 109.5° | 114.0° |
| C6 | C1 | C2 | 122.0° | 120.0° |
| C1 | C6 | C5 | 117.6° | 120.0° |
| C6 | C1 | H35 | 119.0° | 120.0° |
| C1 | C2 | C3 | 119.7° | 120.1° |
| C1 | C2 | H34 | 120.1° | 120.0° |
| C2 | C1 | H35 | 119.0° | 120.0° |
| C8 | N22 | C23 | 123.5° | 120.0° |
| N22 | C8 | H5 | 111.4° | 109.5° |
| C8 | N22 | H32 | 118.2° | 120.0° |
| C6 | C5 | C4 | 120.4° | 120.0° |
| C6 | C5 | H2 | 119.8° | 120.0° |
| C2 | C3 | C4 | 119.2° | 119.9° |
| C2 | C3 | H33 | 120.4° | 120.0° |
| C3 | C2 | H34 | 120.2° | 120.0° |
| C5 | C4 | C3 | 121.1° | 120.0° |
| C5 | C4 | H1 | 119.5° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C3 | C4 | H1 | 119.4° | 120.0° |
| C4 | C3 | H33 | 120.4° | 120.0° |
| N22 | C23 | O49 | 125.6° | 120.0° |
| N22 | C23 | C24 | 113.2° | 120.0° |
| C23 | N22 | H32 | 118.3° | 120.0° |
| O49 | C23 | C24 | 121.1° | 120.0° |
| C23 | C24 | C40 | 109.6° | 109.5° |
| C23 | C24 | N25 | 109.8° | 109.5° |
| C23 | C24 | H7 | 109.3° | 109.5° |
| C24 | C40 | C41 | 104.6° | 109.5° |
| C40 | C24 | N25 | 109.0° | 109.5° |
| C40 | C24 | H7 | 109.3° | 109.5° |
| C24 | C40 | H23 | 110.7° | 109.5° |
| C24 | C40 | H24 | 110.7° | 109.4° |
| C40 | C41 | C42 | 120.7° | 119.9° |
| C40 | C41 | C48 | 120.0° | 119.9° |
| C41 | C40 | H23 | 110.7° | 109.5° |
| C41 | C40 | H24 | 110.7° | 109.5° |
| C24 | N25 | C26 | 121.9° | 120.1° |
| N25 | C24 | H7 | 109.9° | 109.4° |
| C24 | N25 | H22 | 119.0° | 119.9° |
| C41 | C42 | C43 | 120.2° | 120.0° |
| C42 | C41 | C48 | 119.3° | 120.1° |
| C41 | C42 | H31 | 119.9° | 120.0° |
| C42 | C43 | C44 | 120.2° | 120.0° |
| C42 | C43 | H30 | 119.9° | 120.0° |
| C43 | C42 | H31 | 119.9° | 120.0° |
| C41 | C48 | C47 | 120.5° | 120.0° |
| C41 | C48 | H25 | 119.7° | 120.0° |
| N25 | C26 | O39 | 125.2° | 120.0° |
| N25 | C26 | C27 | 114.1° | 120.0° |
| C26 | N25 | H22 | 119.0° | 120.0° |
| C43 | C44 | C47 | 119.7° | 119.8° |
| C43 | C44 | O45 | 120.2° | 120.1° |
| C44 | C43 | H30 | 119.9° | 120.0° |
| O39 | C26 | C27 | 120.6° | 120.0° |
| C26 | C27 | C38 | 110.0° | 109.5° |
| C26 | C27 | N28 | 108.9° | 109.5° |
| C26 | C27 | H18 | 108.6° | 109.4° |
| C48 | C47 | C44 | 120.1° | 120.0° |
| C47 | C48 | H25 | 119.8° | 119.9° |
| C48 | C47 | H26 | 119.9° | 120.1° |
| C47 | C44 | O45 | 120.1° | 120.1° |
| C44 | C47 | H26 | 120.0° | 120.0° |
| C44 | O45 | C46 | 113.1° | 117.0° |
| C38 | C27 | N28 | 111.7° | 109.5° |
| C38 | C27 | H18 | 108.5° | 109.5° |
| C27 | C38 | H19 | 109.5° | 109.5° |
| C27 | C38 | H20 | 109.5° | 109.5° |
| C27 | C38 | H21 | 109.5° | 109.5° |
| C27 | N28 | C60 | 120.0° | 120.0° |
| C27 | N28 | H17 | 120.0° | 120.0° |
| N28 | C27 | H18 | 109.1° | 109.5° |
| O45 | C46 | H27 | 109.5° | 109.5° |
| O45 | C46 | H28 | 109.5° | 109.4° |
| O45 | C46 | H29 | 109.5° | 109.5° |
| N28 | C60 | O61 | 120.7° | 120.0° |
| N28 | C60 | C50 | 118.9° | 120.0° |
| C60 | N28 | H17 | 120.0° | 120.0° |
| O61 | C60 | C50 | 120.3° | 120.0° |
| C60 | C50 | C51 | 128.0° | 125.5° |
| C60 | C50 | C58 | 124.8° | 125.4° |
| C51 | C50 | C58 | 106.9° | 109.1° |
| C50 | C51 | C52 | 105.0° | 107.3° |
| C50 | C51 | H16 | 127.5° | 126.4° |
| C50 | C58 | C59 | 127.3° | 125.3° |
| C50 | C58 | C57 | 110.5° | 109.4° |
| C51 | C52 | C57 | 109.7° | 106.8° |
| C51 | C52 | C53 | 129.7° | 132.8° |
| C52 | C51 | H16 | 127.5° | 126.4° |
| C59 | C58 | C57 | 122.2° | 125.3° |
| C58 | C59 | H8 | 109.5° | 109.5° |
| C58 | C59 | H9 | 109.5° | 109.4° |
| C58 | C59 | H10 | 109.5° | 109.5° |
| C58 | C57 | C52 | 107.6° | 107.4° |
| C58 | C57 | C56 | 131.3° | 132.1° |
| C57 | C52 | C53 | 120.5° | 120.4° |
| C52 | C57 | C56 | 121.1° | 120.5° |
| C52 | C53 | C54 | 120.7° | 119.1° |
| C52 | C53 | H15 | 119.6° | 120.4° |
| C57 | C56 | C55 | 120.7° | 120.9° |
| C57 | C56 | H11 | 119.7° | 119.5° |
| C53 | C54 | C55 | 118.6° | 119.1° |
| C53 | C54 | H13 | 107.2° | 107.5° |
| C53 | C54 | H14 | 107.1° | 107.4° |
| C54 | C53 | H15 | 119.7° | 120.5° |
| C56 | C55 | C54 | 118.4° | 120.0° |
| C55 | C56 | H11 | 119.6° | 119.6° |
| C56 | C55 | H12 | 120.8° | 120.0° |
| C54 | C55 | H12 | 120.8° | 120.0° |
| C55 | C54 | H13 | 107.2° | 107.5° |
| C55 | C54 | H14 | 107.2° | 107.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H8 | C59 | H9 | 109.4° | 109.5° |
| H8 | C59 | H10 | 109.5° | 109.5° |
| H9 | C59 | H10 | 109.5° | 109.4° |
| H13 | C54 | H14 | 109.4° | 107.2° |
| H19 | C38 | H20 | 109.5° | 109.5° |
| H19 | C38 | H21 | 109.5° | 109.4° |
| H20 | C38 | H21 | 109.5° | 109.5° |
| H23 | C40 | H24 | 109.5° | 109.5° |
| H27 | C46 | H28 | 109.4° | 109.5° |
| H27 | C46 | H29 | 109.5° | 109.5° |
| H28 | C46 | H29 | 109.5° | 109.5° |
| H38 | C11 | H39 | 109.5° | 109.5° |
| H38 | C11 | H40 | 109.5° | 109.5° |
| H39 | C11 | H40 | 109.5° | 109.4° |
| H41 | C12 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | C12 | 120.8° | 120.0° |
| C9 | C10 | C11 | H6 | 120.9° | 120.0° |
| C9 | C10 | C12 | H6 | 117.7° | 120.0° |
| C10 | C9 | O21 | C8 | 131.6° | 120.0° |
| C10 | C9 | O21 | H36 | 113.8° | 120.0° |
| C10 | C9 | C8 | H36 | 117.9° | 120.0° |
| C10 | C9 | C8 | C7 | 160.5° | 63.2° |
| C9 | C10 | C12 | O13 | 81.3° | 174.3° |
| C10 | C9 | C8 | N22 | 82.8° | 176.8° |
| C10 | C9 | C8 | H5 | 40.3° | 56.8° |
| C10 | C9 | O21 | H37 | 180.0° | 180.0° |
| C9 | C10 | C11 | H38 | 180.0° | 180.0° |
| C9 | C10 | C11 | H39 | 60.0° | 60.0° |
| C9 | C10 | C11 | H40 | 60.0° | 60.0° |
| C9 | C10 | C12 | H41 | 159.4° | 54.3° |
| C9 | C10 | C12 | H42 | 38.1° | 65.7° |
| C11 | C10 | C12 | H6 | 118.0° | 120.0° |
| C11 | C10 | C9 | O21 | 145.3° | 55.8° |
| C11 | C10 | C9 | C8 | 19.0° | 64.2° |
| C11 | C10 | C12 | O13 | 43.0° | 65.7° |
| C11 | C10 | C9 | H36 | 99.4° | 175.7° |
| C10 | C11 | H38 | H39 | 120.0° | 120.0° |
| C10 | C11 | H38 | H40 | 120.0° | 120.0° |
| C10 | C11 | H39 | H40 | 120.0° | 120.0° |
| C11 | C10 | C12 | H41 | 76.3° | 174.3° |
| C11 | C10 | C12 | H42 | 162.4° | 54.3° |
| C12 | C10 | C9 | O21 | 25.2° | 64.2° |
| C12 | C10 | C9 | C8 | 101.1° | 175.8° |
| C10 | C12 | O13 | H41 | 119.3° | 120.0° |
| C10 | C12 | O13 | H42 | 119.3° | 120.0° |
| C12 | C10 | C9 | H36 | 140.5° | 55.7° |
| C12 | C10 | C11 | H38 | 59.2° | 60.0° |
| C12 | C10 | C11 | H39 | 60.7° | 60.0° |
| C12 | C10 | C11 | H40 | 179.3° | 180.0° |
| C10 | C12 | H41 | H42 | 121.9° | 120.1° |
| C10 | C12 | O13 | H43 | 180.0° | 180.0° |
| O21 | C9 | C8 | H36 | 115.4° | 120.0° |
| O21 | C9 | C8 | C7 | 72.8° | 176.8° |
| O21 | C9 | C8 | N22 | 43.9° | 56.8° |
| O21 | C9 | C8 | H5 | 167.0° | 63.2° |
| O21 | C9 | C10 | H6 | 93.4° | 175.8° |
| C9 | C8 | C7 | N22 | 118.0° | 120.0° |
| C9 | C8 | C7 | H5 | 120.1° | 119.9° |
| C9 | C8 | C7 | C6 | 165.6° | 176.1° |
| C9 | C8 | N22 | H5 | 122.4° | 120.0° |
| C9 | C8 | N22 | C23 | 117.2° | 85.0° |
| C9 | C8 | C7 | H3 | 73.7° | 56.2° |
| C9 | C8 | C7 | H4 | 44.8° | 63.8° |
| C8 | C9 | C10 | H6 | 140.3° | 55.8° |
| C9 | C8 | N22 | H32 | 62.8° | 95.1° |
| C8 | C9 | O21 | H37 | 48.4° | 60.0° |
| C8 | C7 | C6 | H3 | 120.8° | 120.0° |
| C8 | C7 | C6 | H4 | 120.7° | 120.1° |
| C8 | C7 | C6 | C1 | 174.2° | 90.0° |
| C7 | C8 | N22 | H5 | 121.3° | 120.0° |
| C8 | C7 | C6 | C5 | 6.6° | 90.0° |
| C7 | C8 | N22 | C23 | 126.6° | 155.0° |
| C8 | C7 | H3 | H4 | 117.6° | 120.0° |
| C7 | C8 | N22 | H32 | 53.4° | 24.9° |
| C7 | C8 | C9 | H36 | 42.6° | 56.8° |
| C7 | C6 | C1 | C5 | 179.3° | 180.0° |
| C7 | C6 | C1 | C2 | 179.7° | 179.7° |
| C6 | C7 | C8 | N22 | 76.4° | 63.9° |
| C7 | C6 | C5 | C4 | 179.7° | 180.0° |
| C7 | C6 | C5 | H2 | 0.4° | 0.0° |
| C6 | C7 | H3 | H4 | 117.7° | 120.0° |
| C6 | C7 | C8 | H5 | 45.5° | 56.2° |
| C7 | C6 | C1 | H35 | 0.4° | 0.0° |
| O13 | C12 | C10 | H6 | 161.0° | 54.3° |
| O13 | C12 | H41 | H42 | 121.9° | 120.0° |
| C6 | C1 | C2 | H35 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.0° | 0.4° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H2 | 179.6° | 180.0° |
| C1 | C6 | C7 | H3 | 53.4° | 30.0° |
| C1 | C6 | C7 | H4 | 65.1° | 150.0° |
| C6 | C1 | C2 | H34 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.4° | 0.3° |
| C1 | C2 | C3 | H34 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | H33 | 179.7° | 179.9° |
| C8 | N22 | C23 | H32 | 180.0° | 179.9° |
| C8 | N22 | C23 | O49 | 1.1° | 0.0° |
| C8 | N22 | C23 | C24 | 179.3° | 180.0° |
| N22 | C8 | C7 | H3 | 44.4° | 176.2° |
| N22 | C8 | C7 | H4 | 162.8° | 56.2° |
| N22 | C8 | C9 | H36 | 159.3° | 63.2° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C6 | C5 | C4 | H1 | 179.9° | 179.9° |
| C5 | C6 | C7 | H3 | 127.4° | 150.0° |
| C5 | C6 | C7 | H4 | 114.1° | 30.0° |
| C5 | C6 | C1 | H35 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| C2 | C3 | C4 | H33 | 180.0° | 179.9° |
| C2 | C3 | C4 | H1 | 179.8° | 180.0° |
| C3 | C2 | C1 | H35 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | H33 | 179.8° | 179.8° |
| C3 | C4 | C5 | H2 | 179.8° | 179.8° |
| C4 | C3 | C2 | H34 | 179.7° | 180.0° |
| N22 | C23 | O49 | C24 | 179.5° | 180.0° |
| N22 | C23 | C24 | C40 | 78.7° | 60.0° |
| N22 | C23 | C24 | N25 | 161.7° | 180.0° |
| C23 | N22 | C8 | H5 | 5.3° | 34.9° |
| N22 | C23 | C24 | H7 | 41.1° | 60.0° |
| O49 | C23 | C24 | C40 | 100.9° | 120.0° |
| O49 | C23 | C24 | N25 | 18.7° | 0.0° |
| O49 | C23 | C24 | H7 | 139.3° | 120.0° |
| O49 | C23 | N22 | H32 | 178.9° | 179.9° |
| C23 | C24 | C40 | N25 | 120.1° | 120.0° |
| C23 | C24 | C40 | H7 | 119.7° | 120.0° |
| C23 | C24 | C40 | C41 | 172.8° | 175.0° |
| C23 | C24 | N25 | H7 | 120.2° | 120.0° |
| C23 | C24 | N25 | C26 | 122.2° | 155.0° |
| C23 | C24 | N25 | H22 | 57.8° | 25.0° |
| C23 | C24 | C40 | H23 | 68.0° | 65.0° |
| C23 | C24 | C40 | H24 | 53.5° | 55.0° |
| C24 | C23 | N22 | H32 | 0.7° | 0.1° |
| C24 | C40 | C41 | H23 | 119.2° | 120.0° |
| C24 | C40 | C41 | H24 | 119.2° | 120.0° |
| C40 | C24 | N25 | H7 | 119.7° | 120.0° |
| C24 | C40 | C41 | C42 | 95.4° | 90.3° |
| C24 | C40 | C41 | C48 | 83.8° | 90.0° |
| C40 | C24 | N25 | C26 | 117.7° | 84.9° |
| C40 | C24 | N25 | H22 | 62.3° | 95.0° |
| C24 | C40 | H23 | H24 | 122.3° | 119.9° |
| C41 | C40 | C24 | N25 | 67.1° | 65.0° |
| C40 | C41 | C42 | C48 | 179.1° | 179.7° |
| C40 | C41 | C42 | C43 | 179.3° | 179.8° |
| C40 | C41 | C48 | C47 | 179.2° | 180.0° |
| C41 | C40 | C24 | H7 | 53.1° | 55.0° |
| C41 | C40 | H23 | H24 | 122.3° | 120.1° |
| C40 | C41 | C48 | H25 | 0.8° | 0.0° |
| C40 | C41 | C42 | H31 | 0.7° | 0.0° |
| C24 | N25 | C26 | H22 | 180.0° | 180.0° |
| C24 | N25 | C26 | O39 | 2.4° | 0.0° |
| C24 | N25 | C26 | C27 | 175.8° | 180.0° |
| N25 | C24 | C40 | H23 | 52.1° | 55.1° |
| N25 | C24 | C40 | H24 | 173.7° | 175.0° |
| C41 | C42 | C43 | H31 | 180.0° | 179.7° |
| C41 | C42 | C43 | C44 | 0.2° | 0.5° |
| C42 | C41 | C48 | C47 | 0.0° | 0.3° |
| C42 | C41 | C40 | H23 | 145.4° | 149.7° |
| C42 | C41 | C40 | H24 | 23.9° | 29.7° |
| C42 | C41 | C48 | H25 | 180.0° | 179.7° |
| C41 | C42 | C43 | H30 | 179.8° | 179.7° |
| C43 | C42 | C41 | C48 | 0.1° | 0.6° |
| C42 | C43 | C44 | H30 | 180.0° | 179.8° |
| C42 | C43 | C44 | C47 | 0.2° | 0.2° |
| C42 | C43 | C44 | O45 | 179.8° | 179.7° |
| C41 | C48 | C47 | H25 | 180.0° | 180.0° |
| C41 | C48 | C47 | C44 | 0.0° | 0.0° |
| C48 | C41 | C40 | H23 | 35.4° | 30.0° |
| C48 | C41 | C40 | H24 | 157.0° | 150.0° |
| C41 | C48 | C47 | H26 | 180.0° | 180.0° |
| C48 | C41 | C42 | H31 | 179.9° | 179.7° |
| N25 | C26 | O39 | C27 | 178.1° | 179.9° |
| N25 | C26 | C27 | C38 | 99.7° | 60.0° |
| N25 | C26 | C27 | N28 | 137.6° | 180.0° |
| C26 | N25 | C24 | H7 | 2.0° | 35.0° |
| N25 | C26 | C27 | H18 | 18.9° | 60.0° |
| C43 | C44 | C47 | C48 | 0.1° | 0.0° |
| C43 | C44 | C47 | O45 | 179.6° | 180.0° |
| C43 | C44 | O45 | C46 | 114.3° | 0.0° |
| C43 | C44 | C47 | H26 | 179.9° | 180.0° |
| C44 | C43 | C42 | H31 | 179.8° | 179.7° |
| O39 | C26 | C27 | C38 | 82.0° | 120.0° |
| O39 | C26 | C27 | N28 | 40.7° | 0.0° |
| O39 | C26 | C27 | H18 | 159.4° | 120.0° |
| O39 | C26 | N25 | H22 | 177.7° | 180.0° |
| C26 | C27 | C38 | N28 | 121.0° | 120.0° |
| C26 | C27 | C38 | H18 | 118.6° | 120.0° |
| C26 | C27 | N28 | H18 | 118.4° | 120.0° |
| C26 | C27 | N28 | C60 | 141.7° | 155.0° |
| C26 | C27 | N28 | H17 | 38.3° | 25.0° |
| C26 | C27 | C38 | H19 | 180.0° | 60.0° |
| C26 | C27 | C38 | H20 | 60.0° | 60.0° |
| C26 | C27 | C38 | H21 | 60.0° | 180.0° |
| C27 | C26 | N25 | H22 | 4.1° | 0.0° |
| C48 | C47 | C44 | H26 | 180.0° | 180.0° |
| C48 | C47 | C44 | O45 | 179.7° | 180.0° |
| C47 | C44 | O45 | C46 | 66.1° | 180.0° |
| C44 | C47 | C48 | H25 | 180.0° | 180.0° |
| C47 | C44 | C43 | H30 | 179.8° | 180.0° |
| O45 | C44 | C47 | H26 | 0.3° | 0.0° |
| C44 | O45 | C46 | H27 | 180.0° | 60.0° |
| C44 | O45 | C46 | H28 | 60.0° | 60.0° |
| C44 | O45 | C46 | H29 | 60.0° | 180.0° |
| O45 | C44 | C43 | H30 | 0.1° | 0.1° |
| C38 | C27 | N28 | H18 | 120.0° | 120.0° |
| C38 | C27 | N28 | C60 | 96.6° | 85.0° |
| C38 | C27 | N28 | H17 | 83.4° | 95.0° |
| C27 | C38 | H19 | H20 | 120.0° | 120.0° |
| C27 | C38 | H19 | H21 | 120.0° | 120.0° |
| C27 | C38 | H20 | H21 | 120.0° | 120.1° |
| C27 | N28 | C60 | H17 | 180.0° | 180.0° |
| C27 | N28 | C60 | O61 | 0.2° | 5.3° |
| C27 | N28 | C60 | C50 | 178.7° | 174.6° |
| N28 | C27 | C38 | H19 | 59.0° | 60.0° |
| N28 | C27 | C38 | H20 | 61.1° | 180.0° |
| N28 | C27 | C38 | H21 | 179.0° | 60.0° |
| O45 | C46 | H27 | H28 | 120.0° | 120.0° |
| O45 | C46 | H27 | H29 | 120.0° | 120.0° |
| O45 | C46 | H28 | H29 | 120.0° | 120.0° |
| N28 | C60 | O61 | C50 | 178.9° | 179.9° |
| N28 | C60 | C50 | C51 | 4.0° | 5.5° |
| N28 | C60 | C50 | C58 | 178.0° | 174.9° |
| C60 | N28 | C27 | H18 | 23.3° | 35.0° |
| O61 | C60 | C50 | C51 | 177.1° | 174.4° |
| O61 | C60 | C50 | C58 | 3.1° | 5.2° |
| O61 | C60 | N28 | H17 | 179.8° | 174.7° |
| C60 | C50 | C51 | C58 | 174.8° | 179.6° |
| C60 | C50 | C51 | C52 | 179.3° | 179.9° |
| C60 | C50 | C58 | C59 | 2.9° | 0.2° |
| C60 | C50 | C58 | C57 | 178.3° | 179.9° |
| C60 | C50 | C51 | H16 | 0.7° | 0.3° |
| C50 | C60 | N28 | H17 | 1.3° | 5.4° |
| C50 | C51 | C52 | H16 | 180.0° | 179.7° |
| C51 | C50 | C58 | C59 | 177.9° | 179.8° |
| C51 | C50 | C58 | C57 | 3.3° | 0.4° |
| C50 | C51 | C52 | C57 | 4.1° | 0.3° |
| C50 | C51 | C52 | C53 | 179.1° | 179.8° |
| C58 | C50 | C51 | C52 | 4.4° | 0.4° |
| C50 | C58 | C59 | C57 | 178.7° | 179.7° |
| C50 | C58 | C57 | C52 | 0.7° | 0.2° |
| C50 | C58 | C57 | C56 | 178.6° | 179.8° |
| C50 | C58 | C59 | H8 | 180.0° | 85.5° |
| C50 | C58 | C59 | H9 | 60.0° | 34.5° |
| C50 | C58 | C59 | H10 | 60.0° | 154.4° |
| C58 | C50 | C51 | H16 | 175.5° | 179.9° |
| C51 | C52 | C57 | C58 | 2.2° | 0.0° |
| C51 | C52 | C57 | C53 | 177.1° | 179.9° |
| C51 | C52 | C57 | C56 | 178.3° | 180.0° |
| C51 | C52 | C53 | C54 | 177.5° | 179.9° |
| C51 | C52 | C53 | H15 | 2.5° | 0.0° |
| C59 | C58 | C57 | C52 | 179.6° | 180.0° |
| C59 | C58 | C57 | C56 | 0.2° | 0.0° |
| C58 | C59 | H8 | H9 | 120.0° | 119.9° |
| C58 | C59 | H8 | H10 | 120.0° | 120.0° |
| C58 | C59 | H9 | H10 | 120.0° | 119.9° |
| C58 | C57 | C52 | C56 | 179.4° | 180.0° |
| C58 | C57 | C52 | C53 | 179.3° | 180.0° |
| C58 | C57 | C56 | C55 | 179.9° | 180.0° |
| C57 | C58 | C59 | H8 | 1.3° | 94.8° |
| C57 | C58 | C59 | H9 | 121.3° | 145.2° |
| C57 | C58 | C59 | H10 | 118.7° | 25.3° |
| C58 | C57 | C56 | H11 | 0.1° | 0.0° |
| C57 | C52 | C53 | C54 | 1.1° | 0.0° |
| C52 | C57 | C56 | C55 | 0.8° | 0.0° |
| C52 | C57 | C56 | H11 | 179.2° | 180.0° |
| C57 | C52 | C53 | H15 | 178.9° | 180.0° |
| C57 | C52 | C51 | H16 | 175.9° | 180.0° |
| C53 | C52 | C57 | C56 | 1.2° | 0.0° |
| C52 | C53 | C54 | H15 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 0.5° | 0.0° |
| C52 | C53 | C54 | H13 | 120.8° | 122.5° |
| C52 | C53 | C54 | H14 | 121.8° | 122.5° |
| C53 | C52 | C51 | H16 | 0.9° | 0.1° |
| C57 | C56 | C55 | H11 | 180.0° | 180.0° |
| C57 | C56 | C55 | C54 | 0.3° | 0.0° |
| C57 | C56 | C55 | H12 | 179.7° | 179.9° |
| C53 | C54 | C55 | C56 | 0.1° | 0.0° |
| C53 | C54 | C55 | H13 | 121.3° | 122.4° |
| C53 | C54 | C55 | H14 | 121.3° | 122.4° |
| C53 | C54 | C55 | H12 | 179.9° | 180.0° |
| C53 | C54 | H13 | H14 | 115.9° | 115.2° |
| C56 | C55 | C54 | H12 | 180.0° | 179.9° |
| C56 | C55 | C54 | H13 | 121.2° | 122.4° |
| C56 | C55 | C54 | H14 | 121.4° | 122.4° |
| C54 | C55 | C56 | H11 | 179.7° | 180.0° |
| C55 | C54 | H13 | H14 | 115.9° | 115.4° |
| C55 | C54 | C53 | H15 | 179.5° | 180.0° |
| H1 | C4 | C5 | H2 | 0.1° | 0.1° |
| H1 | C4 | C3 | H33 | 0.3° | 0.1° |
| H3 | C7 | C8 | H5 | 166.3° | 63.8° |
| H4 | C7 | C8 | H5 | 75.3° | 176.2° |
| H5 | C8 | N22 | H32 | 174.7° | 145.0° |
| H5 | C8 | C9 | H36 | 77.6° | 176.8° |
| H6 | C10 | C9 | H36 | 21.9° | 64.3° |
| H6 | C10 | C11 | H38 | 59.1° | 60.0° |
| H6 | C10 | C11 | H39 | 179.1° | 180.0° |
| H6 | C10 | C11 | H40 | 60.9° | 60.0° |
| H6 | C10 | C12 | H41 | 41.7° | 65.7° |
| H6 | C10 | C12 | H42 | 79.6° | 174.3° |
| H7 | C24 | N25 | H22 | 178.0° | 145.0° |
| H7 | C24 | C40 | H23 | 172.3° | 175.0° |
| H7 | C24 | C40 | H24 | 66.2° | 65.0° |
| H8 | C59 | H9 | H10 | 120.0° | 120.1° |
| H11 | C56 | C55 | H12 | 0.3° | 0.0° |
| H12 | C55 | C54 | H13 | 58.8° | 57.5° |
| H12 | C55 | C54 | H14 | 58.6° | 57.6° |
| H13 | C54 | C53 | H15 | 59.2° | 57.5° |
| H14 | C54 | C53 | H15 | 58.2° | 57.5° |
| H17 | N28 | C27 | H18 | 156.7° | 145.0° |
| H18 | C27 | C38 | H19 | 61.4° | 180.0° |
| H18 | C27 | C38 | H20 | 178.6° | 60.0° |
| H18 | C27 | C38 | H21 | 58.6° | 60.0° |
| H19 | C38 | H20 | H21 | 120.0° | 119.9° |
| H25 | C48 | C47 | H26 | 0.0° | 0.1° |
| H27 | C46 | H28 | H29 | 120.0° | 120.0° |
| H30 | C43 | C42 | H31 | 0.3° | 0.1° |
| H33 | C3 | C2 | H34 | 0.3° | 0.0° |
| H34 | C2 | C1 | H35 | 0.0° | 0.1° |
| H36 | C9 | O21 | H37 | 66.2° | 60.0° |
| H38 | C11 | H39 | H40 | 120.0° | 120.0° |
| H41 | C12 | O13 | H43 | 60.6° | 60.0° |
| H42 | C12 | O13 | H43 | 60.7° | 60.0° |
