AAY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O52 | C51 | doub | 1.21Å | 1.21Å | |
| C51 | C53 | sing | 1.51Å | 1.52Å | |
| C51 | O50 | sing | 1.34Å | 1.33Å | |
| C53 | C62 | sing | 1.53Å | 1.54Å | |
| C53 | C55 | sing | 1.53Å | 1.52Å | |
| C53 | H53 | sing | 1.09Å | 1.12Å | |
| C62 | H621 | sing | 1.09Å | 1.11Å | |
| C62 | H622 | sing | 1.09Å | 1.12Å | |
| C62 | H623 | sing | 1.09Å | 1.11Å | |
| C55 | C58 | sing | 1.53Å | 1.54Å | |
| C55 | H551 | sing | 1.09Å | 1.11Å | |
| C55 | H552 | sing | 1.09Å | 1.11Å | |
| C58 | H581 | sing | 1.09Å | 1.12Å | |
| C58 | H582 | sing | 1.09Å | 1.12Å | |
| C58 | H583 | sing | 1.09Å | 1.11Å | |
| O50 | C26 | sing | 1.45Å | 1.45Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | C24 | sing | 1.51Å | 1.55Å | |
| C26 | H26 | sing | 1.09Å | 1.11Å | |
| C28 | C31 | sing | 1.53Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C31 | C46 | sing | 1.53Å | 1.56Å | |
| C31 | C33 | sing | 1.51Å | 1.49Å | |
| C31 | H31 | sing | 1.09Å | 1.12Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| C46 | H463 | sing | 1.09Å | 1.12Å | |
| C33 | C35 | doub | 1.32Å | 1.33Å | |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C35 | C24 | sing | 1.50Å | 1.52Å | |
| C35 | C36 | sing | 1.48Å | 1.35Å | |
| C24 | C22 | sing | 1.53Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| C36 | C38 | doub | 1.32Å | 1.33Å | |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C38 | C40 | sing | 1.50Å | 1.52Å | |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C40 | C42 | sing | 1.53Å | 1.55Å | |
| C40 | C22 | sing | 1.53Å | 1.54Å | |
| C40 | H40 | sing | 1.09Å | 1.12Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C42 | H423 | sing | 1.09Å | 1.12Å | |
| C22 | C19 | sing | 1.53Å | 1.57Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C19 | C16 | sing | 1.53Å | 1.55Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C16 | C2 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| N1 | C12 | sing | 1.33Å | 1.36Å | |
| N1 | C66 | sing | 1.47Å | 1.44Å | |
| C12 | O13 | doub | 1.21Å | 1.21Å | |
| C12 | C9 | sing | 1.50Å | 1.49Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92A | sing | 1.09Å | 1.11Å | |
| C7 | O14 | sing | 1.43Å | 1.43Å | |
| C7 | C4 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C66 | C69 | sing | 1.51Å | 1.50Å | |
| C66 | H661 | sing | 1.09Å | 1.12Å | |
| C66 | H662 | sing | 1.09Å | 1.11Å | |
| C69 | C92 | doub | 1.39Å | 1.39Å | Aromatic |
| C69 | C70 | sing | 1.36Å | 1.38Å | Aromatic |
| C92 | C90 | sing | 1.36Å | 1.39Å | Aromatic |
| C92 | H92 | sing | 1.08Å | 1.10Å | |
| C90 | C73 | doub | 1.41Å | 1.40Å | Aromatic |
| C90 | H90 | sing | 1.08Å | 1.10Å | |
| C73 | C74 | sing | 1.40Å | 1.40Å | Aromatic |
| C73 | C72 | sing | 1.42Å | 1.40Å | Aromatic |
| C74 | C85 | sing | 1.51Å | 1.54Å | |
| C74 | C75 | doub | 1.37Å | 1.40Å | Aromatic |
| C85 | O88 | sing | 1.43Å | 1.43Å | |
| C85 | H851 | sing | 1.09Å | 1.11Å | |
| C85 | H852 | sing | 1.09Å | 1.11Å | |
| O88 | H88 | sing | 0.97Å | 0.95Å | |
| C75 | O80 | sing | 1.36Å | 1.39Å | |
| C75 | C76 | sing | 1.40Å | 1.40Å | Aromatic |
| O80 | C81 | sing | 1.43Å | 1.45Å | |
| C81 | H811 | sing | 1.09Å | 1.12Å | |
| C81 | H812 | sing | 1.09Å | 1.11Å | |
| C81 | H813 | sing | 1.09Å | 1.11Å | |
| C76 | C78 | doub | 1.36Å | 1.39Å | Aromatic |
| C76 | H76 | sing | 1.08Å | 1.10Å | |
| C78 | C72 | sing | 1.41Å | 1.39Å | Aromatic |
| C78 | H78 | sing | 1.08Å | 1.10Å | |
| C72 | C70 | doub | 1.41Å | 1.39Å | Aromatic |
| C70 | H70 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O52 | C51 | C53 | 122.8° | 120.0° |
| O52 | C51 | O50 | 124.9° | 119.9° |
| C53 | C51 | O50 | 112.3° | 120.0° |
| C51 | C53 | C62 | 110.6° | 109.5° |
| C51 | C53 | C55 | 109.2° | 109.5° |
| C51 | C53 | H53 | 108.8° | 109.5° |
| C51 | O50 | C26 | 117.3° | 120.0° |
| C62 | C53 | C55 | 109.3° | 109.5° |
| C62 | C53 | H53 | 108.7° | 109.4° |
| C53 | C62 | H621 | 111.8° | 109.5° |
| C53 | C62 | H622 | 110.6° | 109.5° |
| C53 | C62 | H623 | 111.8° | 109.5° |
| C55 | C53 | H53 | 110.1° | 109.5° |
| C53 | C55 | C58 | 110.7° | 109.5° |
| C53 | C55 | H551 | 111.8° | 109.5° |
| C53 | C55 | H552 | 111.8° | 109.5° |
| H621 | C62 | H622 | 111.8° | 109.4° |
| H621 | C62 | H623 | 98.6° | 109.5° |
| H622 | C62 | H623 | 111.8° | 109.5° |
| C58 | C55 | H551 | 111.7° | 109.5° |
| C58 | C55 | H552 | 111.7° | 109.4° |
| C55 | C58 | H581 | 111.8° | 109.5° |
| C55 | C58 | H582 | 110.7° | 109.5° |
| C55 | C58 | H583 | 111.8° | 109.5° |
| H551 | C55 | H552 | 98.6° | 109.5° |
| H581 | C58 | H582 | 111.7° | 109.4° |
| H581 | C58 | H583 | 98.6° | 109.5° |
| H582 | C58 | H583 | 111.8° | 109.4° |
| O50 | C26 | C28 | 111.9° | 109.0° |
| O50 | C26 | C24 | 106.0° | 109.0° |
| O50 | C26 | H26 | 110.7° | 109.0° |
| C28 | C26 | C24 | 110.8° | 112.0° |
| C28 | C26 | H26 | 105.8° | 108.9° |
| C26 | C28 | C31 | 112.5° | 108.4° |
| C26 | C28 | H281 | 111.1° | 109.7° |
| C26 | C28 | H282 | 111.1° | 109.7° |
| C24 | C26 | H26 | 111.7° | 109.0° |
| C26 | C24 | C35 | 109.9° | 114.8° |
| C26 | C24 | C22 | 112.0° | 112.3° |
| C26 | C24 | H24 | 106.8° | 106.8° |
| C31 | C28 | H281 | 111.1° | 109.6° |
| C31 | C28 | H282 | 111.1° | 109.8° |
| C28 | C31 | C46 | 112.8° | 109.9° |
| C28 | C31 | C33 | 115.3° | 107.6° |
| C28 | C31 | H31 | 101.5° | 109.9° |
| H281 | C28 | H282 | 99.3° | 109.7° |
| C46 | C31 | C33 | 104.8° | 109.9° |
| C46 | C31 | H31 | 112.7° | 109.8° |
| C31 | C46 | H461 | 111.0° | 109.5° |
| C31 | C46 | H462 | 112.7° | 109.5° |
| C31 | C46 | H463 | 111.0° | 109.5° |
| C33 | C31 | H31 | 110.0° | 109.8° |
| C31 | C33 | C35 | 124.1° | 120.8° |
| C31 | C33 | H33 | 124.0° | 119.5° |
| H461 | C46 | H462 | 111.0° | 109.5° |
| H461 | C46 | H463 | 99.3° | 109.4° |
| H462 | C46 | H463 | 111.0° | 109.4° |
| C35 | C33 | H33 | 112.0° | 119.6° |
| C33 | C35 | C24 | 122.0° | 123.7° |
| C33 | C35 | C36 | 116.6° | 119.4° |
| C24 | C35 | C36 | 121.3° | 116.9° |
| C35 | C24 | C22 | 107.5° | 108.3° |
| C35 | C24 | H24 | 111.4° | 107.0° |
| C35 | C36 | C38 | 122.4° | 119.7° |
| C35 | C36 | H36 | 119.6° | 120.1° |
| C22 | C24 | H24 | 109.3° | 107.2° |
| C24 | C22 | C40 | 110.1° | 108.7° |
| C24 | C22 | C19 | 111.0° | 109.8° |
| C24 | C22 | H22 | 109.8° | 109.5° |
| C38 | C36 | H36 | 118.0° | 120.2° |
| C36 | C38 | C40 | 122.0° | 124.2° |
| C36 | C38 | H38 | 112.3° | 117.9° |
| C40 | C38 | H38 | 125.7° | 117.9° |
| C38 | C40 | C42 | 107.6° | 109.0° |
| C38 | C40 | C22 | 111.1° | 111.7° |
| C38 | C40 | H40 | 110.7° | 109.0° |
| C42 | C40 | C22 | 112.2° | 109.0° |
| C42 | C40 | H40 | 109.5° | 109.1° |
| C40 | C42 | H421 | 112.9° | 109.5° |
| C40 | C42 | H422 | 107.6° | 109.4° |
| C40 | C42 | H423 | 112.9° | 109.5° |
| C22 | C40 | H40 | 105.9° | 109.0° |
| C40 | C22 | C19 | 114.3° | 109.6° |
| C40 | C22 | H22 | 106.2° | 109.6° |
| H421 | C42 | H422 | 112.9° | 109.5° |
| H421 | C42 | H423 | 97.5° | 109.5° |
| H422 | C42 | H423 | 112.9° | 109.4° |
| C19 | C22 | H22 | 105.1° | 109.6° |
| C22 | C19 | C16 | 112.7° | 109.5° |
| C22 | C19 | H191 | 111.0° | 109.5° |
| C22 | C19 | H192 | 111.0° | 109.5° |
| C16 | C19 | H191 | 111.0° | 109.5° |
| C16 | C19 | H192 | 111.0° | 109.4° |
| C19 | C16 | C2 | 113.8° | 109.5° |
| C19 | C16 | H161 | 110.6° | 109.5° |
| C19 | C16 | H162 | 110.6° | 109.4° |
| H191 | C19 | H192 | 99.3° | 109.4° |
| C2 | C16 | H161 | 110.6° | 109.5° |
| C2 | C16 | H162 | 110.6° | 109.5° |
| C16 | C2 | N1 | 115.0° | 109.3° |
| C16 | C2 | C4 | 109.3° | 109.3° |
| C16 | C2 | H2 | 107.0° | 109.3° |
| H161 | C16 | H162 | 99.7° | 109.5° |
| N1 | C2 | C4 | 112.9° | 110.3° |
| N1 | C2 | H2 | 102.8° | 109.3° |
| C2 | N1 | C12 | 121.6° | 124.3° |
| C2 | N1 | C66 | 121.0° | 117.7° |
| C4 | C2 | H2 | 109.4° | 109.3° |
| C2 | C4 | C7 | 109.2° | 108.7° |
| C2 | C4 | H41 | 112.3° | 109.6° |
| C2 | C4 | H42 | 112.3° | 109.6° |
| C12 | N1 | C66 | 117.4° | 117.9° |
| N1 | C12 | O13 | 121.7° | 118.4° |
| N1 | C12 | C9 | 122.8° | 123.4° |
| N1 | C66 | C69 | 107.3° | 109.5° |
| N1 | C66 | H661 | 113.0° | 109.4° |
| N1 | C66 | H662 | 113.0° | 109.5° |
| O13 | C12 | C9 | 115.4° | 118.2° |
| C12 | C9 | C7 | 110.8° | 109.9° |
| C12 | C9 | H91 | 111.7° | 109.4° |
| C12 | C9 | H92A | 111.7° | 109.4° |
| C7 | C9 | H91 | 111.7° | 109.4° |
| C7 | C9 | H92A | 111.7° | 109.4° |
| C9 | C7 | O14 | 109.8° | 109.7° |
| C9 | C7 | C4 | 104.1° | 108.4° |
| C9 | C7 | H7 | 112.6° | 109.7° |
| H91 | C9 | H92A | 98.7° | 109.3° |
| O14 | C7 | C4 | 109.1° | 109.7° |
| O14 | C7 | H7 | 107.9° | 109.6° |
| C7 | O14 | H14 | 109.8° | 106.8° |
| C4 | C7 | H7 | 113.2° | 109.6° |
| C7 | C4 | H41 | 112.3° | 109.6° |
| C7 | C4 | H42 | 112.3° | 109.6° |
| H41 | C4 | H42 | 98.1° | 109.7° |
| C69 | C66 | H661 | 113.0° | 109.5° |
| C69 | C66 | H662 | 113.0° | 109.5° |
| C66 | C69 | C92 | 120.5° | 119.5° |
| C66 | C69 | C70 | 118.8° | 119.5° |
| H661 | C66 | H662 | 97.5° | 109.5° |
| C92 | C69 | C70 | 120.7° | 121.0° |
| C69 | C92 | C90 | 121.0° | 121.0° |
| C69 | C92 | H92 | 119.4° | 119.5° |
| C69 | C70 | C72 | 118.8° | 119.7° |
| C69 | C70 | H70 | 120.3° | 120.2° |
| C90 | C92 | H92 | 119.6° | 119.5° |
| C92 | C90 | C73 | 118.8° | 119.7° |
| C92 | C90 | H90 | 120.2° | 120.2° |
| C73 | C90 | H90 | 120.9° | 120.1° |
| C90 | C73 | C74 | 121.2° | 121.3° |
| C90 | C73 | C72 | 119.4° | 119.3° |
| C74 | C73 | C72 | 119.4° | 119.4° |
| C73 | C74 | C85 | 122.1° | 120.2° |
| C73 | C74 | C75 | 118.8° | 119.6° |
| C73 | C72 | C78 | 121.2° | 119.4° |
| C73 | C72 | C70 | 121.2° | 119.3° |
| C85 | C74 | C75 | 119.1° | 120.2° |
| C74 | C85 | O88 | 111.5° | 109.5° |
| C74 | C85 | H851 | 111.5° | 109.5° |
| C74 | C85 | H852 | 111.5° | 109.4° |
| C74 | C75 | O80 | 119.9° | 119.5° |
| C74 | C75 | C76 | 121.4° | 120.9° |
| O88 | C85 | H851 | 111.5° | 109.5° |
| O88 | C85 | H852 | 111.5° | 109.4° |
| C85 | O88 | H88 | 111.5° | 106.8° |
| H851 | C85 | H852 | 98.9° | 109.5° |
| O80 | C75 | C76 | 118.7° | 119.6° |
| C75 | O80 | C81 | 113.2° | 106.8° |
| C75 | C76 | C78 | 119.6° | 120.9° |
| C75 | C76 | H76 | 120.6° | 119.5° |
| O80 | C81 | H811 | 110.8° | 109.4° |
| O80 | C81 | H812 | 113.2° | 109.5° |
| O80 | C81 | H813 | 110.8° | 109.5° |
| H811 | C81 | H812 | 110.8° | 109.5° |
| H811 | C81 | H813 | 99.5° | 109.5° |
| H812 | C81 | H813 | 110.8° | 109.5° |
| C78 | C76 | H76 | 119.8° | 119.5° |
| C76 | C78 | C72 | 119.6° | 119.7° |
| C76 | C78 | H78 | 120.1° | 120.1° |
| C72 | C78 | H78 | 120.4° | 120.2° |
| C78 | C72 | C70 | 117.6° | 121.2° |
| C72 | C70 | H70 | 120.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O52 | C51 | C53 | O50 | 178.7° | 179.9° |
| O52 | C51 | C53 | C62 | 51.9° | 106.1° |
| O52 | C51 | C53 | C55 | 68.5° | 13.9° |
| O52 | C51 | C53 | H53 | 171.3° | 134.0° |
| O52 | C51 | O50 | C26 | 11.0° | 5.4° |
| C51 | C53 | C62 | C55 | 120.3° | 120.0° |
| C51 | C53 | C62 | H53 | 119.4° | 119.9° |
| C51 | C53 | C55 | H53 | 119.4° | 120.0° |
| C51 | C53 | C62 | H621 | 54.7° | 61.2° |
| C51 | C53 | C62 | H622 | 180.0° | 58.8° |
| C51 | C53 | C62 | H623 | 54.7° | 178.8° |
| C51 | C53 | C55 | C58 | 59.0° | 175.0° |
| C51 | C53 | C55 | H551 | 66.2° | 55.0° |
| C51 | C53 | C55 | H552 | 175.7° | 65.0° |
| C53 | C51 | O50 | C26 | 170.4° | 174.7° |
| O50 | C51 | C53 | C62 | 129.4° | 73.9° |
| O50 | C51 | C53 | C55 | 110.2° | 166.0° |
| O50 | C51 | C53 | H53 | 10.0° | 46.0° |
| C51 | O50 | C26 | C28 | 73.0° | 84.1° |
| C51 | O50 | C26 | C24 | 166.1° | 153.5° |
| C51 | O50 | C26 | H26 | 44.8° | 34.7° |
| C62 | C53 | C55 | H53 | 119.4° | 120.0° |
| C53 | C62 | H621 | H622 | 124.7° | 120.0° |
| C53 | C62 | H621 | H623 | 117.7° | 120.1° |
| C53 | C62 | H622 | H623 | 125.3° | 120.0° |
| C62 | C53 | C55 | C58 | 179.8° | 65.0° |
| C62 | C53 | C55 | H551 | 55.0° | 175.0° |
| C62 | C53 | C55 | H552 | 54.5° | 55.0° |
| C55 | C53 | C62 | H621 | 65.6° | 178.8° |
| C55 | C53 | C62 | H622 | 59.7° | 61.3° |
| C55 | C53 | C62 | H623 | 175.0° | 58.7° |
| C53 | C55 | C58 | H551 | 125.3° | 120.0° |
| C53 | C55 | C58 | H552 | 125.3° | 120.0° |
| C53 | C55 | H551 | H552 | 117.7° | 120.0° |
| C53 | C55 | C58 | H581 | 54.8° | 180.0° |
| C53 | C55 | C58 | H582 | 180.0° | 60.0° |
| C53 | C55 | C58 | H583 | 54.7° | 60.0° |
| H53 | C53 | C62 | H621 | 174.2° | 58.8° |
| H53 | C53 | C62 | H622 | 60.6° | 178.7° |
| H53 | C53 | C62 | H623 | 64.7° | 61.3° |
| H53 | C53 | C55 | C58 | 60.4° | 55.0° |
| H53 | C53 | C55 | H551 | 174.3° | 65.0° |
| H53 | C53 | C55 | H552 | 64.8° | 174.9° |
| H621 | C62 | H622 | H623 | 109.4° | 119.9° |
| C58 | C55 | H551 | H552 | 117.6° | 120.0° |
| C55 | C58 | H581 | H582 | 124.7° | 120.0° |
| C55 | C58 | H581 | H583 | 117.7° | 120.0° |
| C55 | C58 | H582 | H583 | 125.3° | 120.1° |
| H551 | C55 | C58 | H581 | 180.0° | 60.0° |
| H551 | C55 | C58 | H582 | 54.8° | 60.0° |
| H551 | C55 | C58 | H583 | 70.6° | 180.0° |
| H552 | C55 | C58 | H581 | 70.5° | 60.0° |
| H552 | C55 | C58 | H582 | 54.7° | 180.0° |
| H552 | C55 | C58 | H583 | 180.0° | 60.0° |
| H581 | C58 | H582 | H583 | 109.4° | 119.9° |
| O50 | C26 | C28 | C24 | 118.1° | 120.6° |
| O50 | C26 | C28 | H26 | 120.6° | 118.8° |
| O50 | C26 | C24 | H26 | 120.7° | 118.8° |
| O50 | C26 | C28 | C31 | 63.6° | 178.8° |
| O50 | C26 | C28 | H281 | 61.6° | 61.5° |
| O50 | C26 | C28 | H282 | 171.1° | 59.0° |
| O50 | C26 | C24 | C35 | 68.2° | 143.8° |
| O50 | C26 | C24 | C22 | 51.2° | 19.6° |
| O50 | C26 | C24 | H24 | 170.9° | 97.6° |
| C28 | C26 | C24 | H26 | 117.8° | 120.6° |
| C26 | C28 | C31 | H281 | 125.3° | 119.7° |
| C26 | C28 | C31 | H282 | 125.2° | 119.8° |
| C26 | C28 | H281 | H282 | 117.0° | 120.5° |
| C26 | C28 | C31 | C46 | 95.2° | 178.5° |
| C26 | C28 | C31 | C33 | 25.2° | 61.9° |
| C26 | C28 | C31 | H31 | 144.0° | 57.6° |
| C28 | C26 | C24 | C35 | 53.4° | 23.2° |
| C28 | C26 | C24 | C22 | 172.8° | 101.1° |
| C28 | C26 | C24 | H24 | 67.6° | 141.7° |
| C24 | C26 | C28 | C31 | 54.4° | 58.2° |
| C24 | C26 | C28 | H281 | 179.7° | 177.9° |
| C24 | C26 | C28 | H282 | 70.8° | 61.6° |
| C26 | C24 | C35 | C33 | 24.7° | 8.0° |
| C26 | C24 | C35 | C22 | 122.1° | 126.4° |
| C26 | C24 | C35 | H24 | 118.2° | 118.4° |
| C26 | C24 | C35 | C36 | 154.5° | 171.7° |
| C26 | C24 | C22 | H24 | 118.2° | 117.0° |
| C26 | C24 | C22 | C40 | 176.6° | 170.0° |
| C26 | C24 | C22 | C19 | 55.7° | 50.1° |
| C26 | C24 | C22 | H22 | 60.1° | 70.3° |
| H26 | C26 | C28 | C31 | 175.8° | 62.4° |
| H26 | C26 | C28 | H281 | 59.0° | 57.3° |
| H26 | C26 | C28 | H282 | 50.5° | 177.8° |
| H26 | C26 | C24 | C35 | 171.2° | 97.4° |
| H26 | C26 | C24 | C22 | 69.5° | 138.3° |
| H26 | C26 | C24 | H24 | 50.2° | 21.1° |
| C31 | C28 | H281 | H282 | 117.0° | 120.6° |
| C28 | C31 | C46 | C33 | 126.2° | 118.2° |
| C28 | C31 | C46 | H31 | 114.2° | 120.9° |
| C28 | C31 | C33 | H31 | 114.0° | 119.6° |
| C28 | C31 | C46 | H461 | 54.8° | 59.9° |
| C28 | C31 | C46 | H462 | 180.0° | 180.0° |
| C28 | C31 | C46 | H463 | 54.7° | 60.1° |
| C28 | C31 | C33 | C35 | 5.1° | 33.0° |
| C28 | C31 | C33 | H33 | 175.0° | 147.0° |
| H281 | C28 | C31 | C46 | 30.1° | 58.8° |
| H281 | C28 | C31 | C33 | 150.5° | 178.4° |
| H281 | C28 | C31 | H31 | 90.7° | 62.1° |
| H282 | C28 | C31 | C46 | 139.6° | 61.7° |
| H282 | C28 | C31 | C33 | 100.0° | 57.8° |
| H282 | C28 | C31 | H31 | 18.8° | 177.4° |
| C46 | C31 | C33 | H31 | 121.3° | 120.9° |
| C31 | C46 | H461 | H462 | 126.2° | 120.1° |
| C31 | C46 | H461 | H463 | 116.9° | 120.0° |
| C31 | C46 | H462 | H463 | 125.3° | 120.0° |
| C46 | C31 | C33 | C35 | 129.7° | 152.5° |
| C46 | C31 | C33 | H33 | 50.3° | 27.4° |
| C33 | C31 | C46 | H461 | 71.5° | 58.3° |
| C33 | C31 | C46 | H462 | 53.8° | 61.8° |
| C33 | C31 | C46 | H463 | 179.0° | 178.3° |
| C31 | C33 | C35 | H33 | 180.0° | 180.0° |
| C31 | C33 | C35 | C24 | 5.0° | 2.4° |
| C31 | C33 | C35 | C36 | 175.8° | 177.3° |
| H31 | C31 | C46 | H461 | 169.0° | 179.1° |
| H31 | C31 | C46 | H462 | 65.8° | 59.0° |
| H31 | C31 | C46 | H463 | 59.5° | 60.9° |
| H31 | C31 | C33 | C35 | 109.0° | 86.6° |
| H31 | C31 | C33 | H33 | 71.0° | 93.4° |
| H461 | C46 | H462 | H463 | 109.5° | 120.0° |
| C33 | C35 | C24 | C36 | 179.2° | 179.7° |
| C33 | C35 | C24 | C22 | 146.8° | 134.4° |
| C33 | C35 | C24 | H24 | 93.5° | 110.4° |
| C33 | C35 | C36 | C38 | 177.9° | 165.1° |
| C33 | C35 | C36 | H36 | 2.1° | 14.9° |
| H33 | C33 | C35 | C24 | 175.0° | 177.6° |
| H33 | C33 | C35 | C36 | 4.2° | 2.7° |
| C35 | C24 | C22 | H24 | 121.0° | 115.1° |
| C24 | C35 | C36 | C38 | 2.9° | 14.6° |
| C24 | C35 | C36 | H36 | 177.1° | 165.4° |
| C35 | C24 | C22 | C40 | 55.9° | 62.2° |
| C35 | C24 | C22 | C19 | 176.5° | 178.0° |
| C35 | C24 | C22 | H22 | 60.7° | 57.5° |
| C36 | C35 | C24 | C22 | 32.4° | 45.3° |
| C36 | C35 | C24 | H24 | 87.3° | 69.9° |
| C35 | C36 | C38 | H36 | 180.0° | 180.0° |
| C35 | C36 | C38 | C40 | 13.8° | 0.8° |
| C35 | C36 | C38 | H38 | 166.2° | 179.2° |
| C24 | C22 | C40 | C38 | 47.5° | 49.5° |
| C24 | C22 | C40 | C42 | 72.9° | 71.0° |
| C24 | C22 | C40 | C19 | 125.8° | 120.0° |
| C24 | C22 | C40 | H22 | 118.8° | 119.7° |
| C24 | C22 | C40 | H40 | 167.7° | 170.1° |
| C24 | C22 | C19 | H22 | 118.7° | 120.4° |
| C24 | C22 | C19 | C16 | 172.6° | 159.5° |
| C24 | C22 | C19 | H191 | 47.3° | 80.5° |
| C24 | C22 | C19 | H192 | 62.2° | 39.5° |
| H24 | C24 | C22 | C40 | 65.2° | 53.0° |
| H24 | C24 | C22 | C19 | 62.5° | 66.9° |
| H24 | C24 | C22 | H22 | 178.3° | 172.7° |
| C36 | C38 | C40 | H38 | 180.0° | 180.0° |
| C36 | C38 | C40 | C42 | 110.2° | 101.2° |
| C36 | C38 | C40 | C22 | 12.9° | 19.3° |
| C36 | C38 | C40 | H40 | 130.2° | 139.9° |
| H36 | C36 | C38 | C40 | 166.1° | 179.2° |
| H36 | C36 | C38 | H38 | 13.9° | 0.8° |
| C38 | C40 | C42 | C22 | 122.4° | 122.2° |
| C38 | C40 | C42 | H40 | 120.3° | 118.9° |
| C38 | C40 | C22 | H40 | 120.2° | 120.5° |
| C38 | C40 | C42 | H421 | 54.8° | 60.0° |
| C38 | C40 | C42 | H422 | 180.0° | 179.9° |
| C38 | C40 | C42 | H423 | 54.7° | 60.0° |
| C38 | C40 | C22 | C19 | 173.3° | 169.5° |
| C38 | C40 | C22 | H22 | 71.3° | 70.1° |
| H38 | C38 | C40 | C42 | 69.8° | 78.8° |
| H38 | C38 | C40 | C22 | 167.1° | 160.7° |
| H38 | C38 | C40 | H40 | 49.8° | 40.1° |
| C42 | C40 | C22 | H40 | 119.4° | 118.9° |
| C40 | C42 | H421 | H422 | 122.3° | 120.0° |
| C40 | C42 | H421 | H423 | 118.9° | 120.1° |
| C40 | C42 | H422 | H423 | 125.3° | 120.0° |
| C42 | C40 | C22 | C19 | 52.9° | 49.0° |
| C42 | C40 | C22 | H22 | 168.3° | 169.3° |
| C22 | C40 | C42 | H421 | 177.2° | 177.8° |
| C22 | C40 | C42 | H422 | 57.6° | 57.8° |
| C22 | C40 | C42 | H423 | 67.7° | 62.1° |
| C40 | C22 | C19 | H22 | 116.0° | 120.3° |
| C40 | C22 | C19 | C16 | 47.2° | 40.1° |
| C40 | C22 | C19 | H191 | 78.0° | 160.2° |
| C40 | C22 | C19 | H192 | 172.5° | 79.9° |
| H40 | C40 | C42 | H421 | 65.5° | 58.9° |
| H40 | C40 | C42 | H422 | 59.7° | 61.1° |
| H40 | C40 | C42 | H423 | 175.0° | 179.0° |
| H40 | C40 | C22 | C19 | 66.5° | 69.9° |
| H40 | C40 | C22 | H22 | 48.9° | 50.4° |
| H421 | C42 | H422 | H423 | 109.5° | 120.0° |
| C22 | C19 | C16 | H191 | 125.2° | 120.0° |
| C22 | C19 | C16 | H192 | 125.3° | 120.0° |
| C22 | C19 | H191 | H192 | 116.9° | 120.0° |
| C22 | C19 | C16 | C2 | 178.8° | 174.2° |
| C22 | C19 | C16 | H161 | 53.5° | 54.2° |
| C22 | C19 | C16 | H162 | 56.0° | 65.8° |
| H22 | C22 | C19 | C16 | 68.8° | 80.2° |
| H22 | C22 | C19 | H191 | 166.0° | 39.9° |
| H22 | C22 | C19 | H192 | 56.5° | 159.8° |
| C16 | C19 | H191 | H192 | 116.9° | 119.9° |
| C19 | C16 | C2 | H161 | 125.3° | 120.0° |
| C19 | C16 | C2 | H162 | 125.2° | 119.9° |
| C19 | C16 | H161 | H162 | 116.5° | 119.9° |
| C19 | C16 | C2 | N1 | 60.8° | 174.5° |
| C19 | C16 | C2 | C4 | 67.4° | 64.7° |
| C19 | C16 | C2 | H2 | 174.3° | 54.9° |
| H191 | C19 | C16 | C2 | 56.0° | 65.8° |
| H191 | C19 | C16 | H161 | 178.7° | 174.2° |
| H191 | C19 | C16 | H162 | 69.3° | 54.3° |
| H192 | C19 | C16 | C2 | 53.5° | 54.2° |
| H192 | C19 | C16 | H161 | 71.8° | 65.8° |
| H192 | C19 | C16 | H162 | 178.7° | 174.2° |
| C2 | C16 | H161 | H162 | 116.5° | 120.1° |
| C16 | C2 | N1 | C4 | 126.4° | 120.2° |
| C16 | C2 | N1 | H2 | 115.9° | 119.6° |
| C16 | C2 | C4 | H2 | 116.8° | 119.6° |
| C16 | C2 | N1 | C12 | 138.3° | 139.6° |
| C16 | C2 | N1 | C66 | 44.1° | 40.8° |
| C16 | C2 | C4 | C7 | 176.1° | 171.1° |
| C16 | C2 | C4 | H41 | 50.8° | 69.2° |
| C16 | C2 | C4 | H42 | 58.7° | 51.2° |
| H161 | C16 | C2 | N1 | 173.9° | 65.5° |
| H161 | C16 | C2 | C4 | 57.9° | 55.3° |
| H161 | C16 | C2 | H2 | 60.4° | 174.9° |
| H162 | C16 | C2 | N1 | 64.4° | 54.5° |
| H162 | C16 | C2 | C4 | 167.4° | 175.3° |
| H162 | C16 | C2 | H2 | 49.1° | 65.0° |
| N1 | C2 | C4 | H2 | 113.8° | 120.2° |
| C2 | N1 | C12 | C66 | 177.7° | 179.6° |
| C2 | N1 | C12 | O13 | 177.5° | 177.6° |
| C2 | N1 | C12 | C9 | 1.2° | 2.6° |
| N1 | C2 | C4 | C7 | 46.7° | 50.9° |
| N1 | C2 | C4 | H41 | 78.6° | 170.6° |
| N1 | C2 | C4 | H42 | 172.0° | 69.0° |
| C2 | N1 | C66 | C69 | 79.7° | 91.4° |
| C2 | N1 | C66 | H661 | 45.6° | 28.6° |
| C2 | N1 | C66 | H662 | 155.1° | 148.6° |
| C4 | C2 | N1 | C12 | 11.9° | 19.4° |
| C4 | C2 | N1 | C66 | 170.5° | 161.0° |
| C2 | C4 | C7 | C9 | 68.9° | 67.5° |
| C2 | C4 | C7 | O14 | 173.9° | 172.7° |
| C2 | C4 | C7 | H41 | 125.3° | 119.7° |
| C2 | C4 | C7 | H42 | 125.3° | 119.8° |
| C2 | C4 | C7 | H7 | 53.8° | 52.2° |
| C2 | C4 | H41 | H42 | 118.2° | 120.4° |
| H2 | C2 | N1 | C12 | 105.8° | 100.8° |
| H2 | C2 | N1 | C66 | 71.8° | 78.8° |
| H2 | C2 | C4 | C7 | 67.1° | 69.3° |
| H2 | C2 | C4 | H41 | 167.6° | 50.4° |
| H2 | C2 | C4 | H42 | 58.1° | 170.9° |
| N1 | C12 | O13 | C9 | 178.8° | 179.8° |
| N1 | C12 | C9 | C7 | 25.4° | 17.8° |
| N1 | C12 | C9 | H91 | 150.7° | 137.9° |
| N1 | C12 | C9 | H92A | 99.8° | 102.3° |
| C12 | N1 | C66 | C69 | 98.1° | 89.0° |
| C12 | N1 | C66 | H661 | 136.7° | 151.0° |
| C12 | N1 | C66 | H662 | 27.2° | 31.1° |
| C66 | N1 | C12 | O13 | 0.2° | 2.0° |
| C66 | N1 | C12 | C9 | 178.9° | 177.8° |
| N1 | C66 | C69 | H661 | 125.2° | 120.0° |
| N1 | C66 | C69 | H662 | 125.2° | 120.0° |
| N1 | C66 | H661 | H662 | 118.9° | 120.0° |
| N1 | C66 | C69 | C92 | 95.9° | 129.9° |
| N1 | C66 | C69 | C70 | 83.3° | 50.3° |
| O13 | C12 | C9 | C7 | 153.4° | 162.5° |
| O13 | C12 | C9 | H91 | 28.1° | 42.3° |
| O13 | C12 | C9 | H92A | 81.4° | 77.4° |
| C12 | C9 | C7 | H91 | 125.3° | 120.1° |
| C12 | C9 | C7 | H92A | 125.3° | 120.1° |
| C12 | C9 | H91 | H92A | 117.6° | 119.8° |
| C12 | C9 | C7 | O14 | 173.8° | 168.6° |
| C12 | C9 | C7 | C4 | 57.1° | 48.9° |
| C12 | C9 | C7 | H7 | 66.0° | 70.8° |
| C7 | C9 | H91 | H92A | 117.6° | 119.8° |
| C9 | C7 | O14 | C4 | 113.5° | 119.0° |
| C9 | C7 | O14 | H7 | 123.1° | 120.6° |
| C9 | C7 | C4 | H7 | 122.7° | 119.8° |
| C9 | C7 | O14 | H14 | 180.0° | 61.0° |
| C9 | C7 | C4 | H41 | 56.4° | 172.7° |
| C9 | C7 | C4 | H42 | 165.8° | 52.3° |
| H91 | C9 | C7 | O14 | 60.9° | 71.2° |
| H91 | C9 | C7 | C4 | 177.7° | 169.0° |
| H91 | C9 | C7 | H7 | 59.3° | 49.3° |
| H92A | C9 | C7 | O14 | 48.6° | 48.5° |
| H92A | C9 | C7 | C4 | 68.2° | 71.2° |
| H92A | C9 | C7 | H7 | 168.8° | 169.1° |
| O14 | C7 | C4 | H7 | 120.2° | 120.4° |
| O14 | C7 | C4 | H41 | 60.8° | 52.9° |
| O14 | C7 | C4 | H42 | 48.6° | 67.5° |
| C4 | C7 | O14 | H14 | 66.5° | 180.0° |
| C7 | C4 | H41 | H42 | 118.2° | 120.4° |
| H7 | C7 | O14 | H14 | 56.9° | 59.6° |
| H7 | C7 | C4 | H41 | 179.0° | 67.5° |
| H7 | C7 | C4 | H42 | 71.5° | 172.0° |
| C69 | C66 | H661 | H662 | 118.9° | 120.0° |
| C66 | C69 | C92 | C70 | 179.3° | 179.7° |
| C66 | C69 | C92 | C90 | 179.6° | 180.0° |
| C66 | C69 | C92 | H92 | 0.4° | 0.0° |
| C66 | C69 | C70 | C72 | 179.8° | 179.7° |
| C66 | C69 | C70 | H70 | 0.1° | 0.0° |
| H661 | C66 | C69 | C92 | 29.3° | 10.0° |
| H661 | C66 | C69 | C70 | 151.4° | 170.3° |
| H662 | C66 | C69 | C92 | 138.8° | 110.1° |
| H662 | C66 | C69 | C70 | 41.9° | 69.7° |
| C69 | C92 | C90 | H92 | 180.0° | 180.0° |
| C69 | C92 | C90 | C73 | 0.4° | 0.0° |
| C69 | C92 | C90 | H90 | 179.6° | 179.9° |
| C92 | C69 | C70 | C72 | 0.9° | 0.5° |
| C92 | C69 | C70 | H70 | 179.1° | 179.7° |
| C70 | C69 | C92 | C90 | 0.3° | 0.3° |
| C70 | C69 | C92 | H92 | 179.7° | 179.8° |
| C69 | C70 | C72 | C73 | 0.8° | 0.5° |
| C69 | C70 | C72 | C78 | 179.9° | 179.8° |
| C69 | C70 | C72 | H70 | 180.0° | 179.7° |
| C92 | C90 | C73 | H90 | 180.0° | 179.9° |
| C92 | C90 | C73 | C74 | 179.9° | 180.0° |
| C92 | C90 | C73 | C72 | 0.5° | 0.0° |
| H92 | C92 | C90 | C73 | 179.6° | 180.0° |
| H92 | C92 | C90 | H90 | 0.4° | 0.0° |
| C90 | C73 | C74 | C72 | 179.6° | 180.0° |
| C90 | C73 | C74 | C85 | 0.9° | 0.0° |
| C90 | C73 | C74 | C75 | 179.3° | 180.0° |
| C90 | C73 | C72 | C78 | 179.3° | 179.9° |
| C90 | C73 | C72 | C70 | 0.1° | 0.3° |
| H90 | C90 | C73 | C74 | 0.1° | 0.1° |
| H90 | C90 | C73 | C72 | 179.5° | 179.9° |
| C73 | C74 | C85 | C75 | 179.8° | 180.0° |
| C73 | C74 | C85 | O88 | 64.2° | 90.0° |
| C73 | C74 | C85 | H851 | 61.0° | 150.0° |
| C73 | C74 | C85 | H852 | 170.5° | 30.0° |
| C73 | C74 | C75 | O80 | 179.8° | 180.0° |
| C73 | C74 | C75 | C76 | 0.1° | 0.0° |
| C74 | C73 | C72 | C78 | 0.3° | 0.0° |
| C74 | C73 | C72 | C70 | 179.5° | 179.7° |
| C72 | C73 | C74 | C85 | 179.5° | 180.0° |
| C72 | C73 | C74 | C75 | 0.3° | 0.0° |
| C73 | C72 | C78 | C76 | 0.1° | 0.0° |
| C73 | C72 | C78 | C70 | 179.2° | 179.7° |
| C73 | C72 | C78 | H78 | 179.8° | 180.0° |
| C73 | C72 | C70 | H70 | 179.2° | 179.8° |
| C74 | C85 | O88 | H851 | 125.2° | 120.1° |
| C74 | C85 | O88 | H852 | 125.3° | 119.9° |
| C74 | C85 | H851 | H852 | 117.4° | 120.0° |
| C74 | C85 | O88 | H88 | 180.0° | 180.0° |
| C85 | C74 | C75 | O80 | 0.0° | 0.0° |
| C85 | C74 | C75 | C76 | 179.9° | 179.9° |
| C75 | C74 | C85 | O88 | 116.0° | 90.0° |
| C75 | C74 | C85 | H851 | 118.8° | 30.0° |
| C75 | C74 | C85 | H852 | 9.3° | 150.0° |
| C74 | C75 | O80 | C76 | 179.8° | 180.0° |
| C74 | C75 | O80 | C81 | 110.6° | 180.0° |
| C74 | C75 | C76 | C78 | 0.5° | 0.0° |
| C74 | C75 | C76 | H76 | 179.5° | 180.0° |
| O88 | C85 | H851 | H852 | 117.4° | 120.0° |
| H851 | C85 | O88 | H88 | 54.8° | 59.9° |
| H852 | C85 | O88 | H88 | 54.7° | 60.1° |
| C75 | O80 | C81 | H811 | 54.7° | 180.0° |
| C75 | O80 | C81 | H812 | 180.0° | 60.0° |
| C75 | O80 | C81 | H813 | 54.7° | 60.0° |
| O80 | C75 | C76 | C78 | 179.4° | 180.0° |
| O80 | C75 | C76 | H76 | 0.6° | 0.0° |
| C76 | C75 | O80 | C81 | 69.6° | 0.0° |
| C75 | C76 | C78 | H76 | 180.0° | 180.0° |
| C75 | C76 | C78 | C72 | 0.5° | 0.0° |
| C75 | C76 | C78 | H78 | 179.5° | 180.0° |
| O80 | C81 | H811 | H812 | 126.6° | 120.0° |
| O80 | C81 | H811 | H813 | 116.7° | 120.0° |
| O80 | C81 | H812 | H813 | 125.3° | 120.0° |
| H811 | C81 | H812 | H813 | 109.5° | 120.0° |
| C76 | C78 | C72 | H78 | 180.0° | 180.0° |
| C76 | C78 | C72 | C70 | 179.1° | 179.7° |
| H76 | C76 | C78 | C72 | 179.5° | 180.0° |
| H76 | C76 | C78 | H78 | 0.5° | 0.0° |
| C78 | C72 | C70 | H70 | 0.0° | 0.1° |
| H78 | C78 | C72 | C70 | 0.9° | 0.3° |
