2AH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.57Å | |
| C1 | C24 | sing | 1.53Å | 1.56Å | |
| C1 | O36 | sing | 1.43Å | 1.42Å | |
| C1 | C41 | sing | 1.53Å | 1.57Å | |
| C2 | O3 | doub | 1.21Å | 1.24Å | |
| C2 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | C5 | sing | 1.46Å | 1.47Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | C13 | sing | 1.54Å | 1.56Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.44Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | doub | 1.38Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.38Å | 1.44Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | O14 | sing | 1.43Å | 1.42Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.43Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å | |
| C41 | N42 | sing | 1.47Å | 1.44Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| N42 | N43 | sing | 1.37Å | 1.38Å | |
| N42 | C44 | sing | 1.47Å | 1.49Å | |
| N43 | C45 | sing | 1.35Å | 1.35Å | |
| N43 | H43 | sing | 0.97Å | 1.00Å | |
| C44 | C78 | sing | 1.51Å | 1.52Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | O46 | doub | 1.21Å | 1.24Å | |
| C45 | C47 | sing | 1.51Å | 1.55Å | |
| C47 | C48 | sing | 1.53Å | 1.57Å | |
| C47 | N51 | sing | 1.47Å | 1.48Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.55Å | |
| C48 | C50 | sing | 1.53Å | 1.54Å | |
| C48 | C92 | sing | 1.53Å | 1.53Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H503 | sing | 1.09Å | 1.10Å | |
| N51 | C54 | sing | 1.35Å | 1.34Å | |
| N51 | H51 | sing | 0.97Å | 1.00Å | |
| C54 | O55 | doub | 1.21Å | 1.25Å | |
| C54 | O56 | sing | 1.35Å | 1.36Å | |
| O56 | C91 | sing | 1.45Å | 1.43Å | |
| C78 | C79 | doub | 1.38Å | 1.43Å | Aromatic |
| C78 | C82 | sing | 1.38Å | 1.43Å | Aromatic |
| C79 | C80 | sing | 1.38Å | 1.43Å | Aromatic |
| C79 | H79 | sing | 1.08Å | 1.08Å | |
| C80 | C81 | doub | 1.39Å | 1.44Å | Aromatic |
| C80 | H80 | sing | 1.08Å | 1.08Å | |
| C81 | C83 | sing | 1.39Å | 1.43Å | Aromatic |
| C81 | C96 | sing | 1.48Å | 1.49Å | Aromatic |
| C82 | C83 | doub | 1.38Å | 1.43Å | Aromatic |
| C82 | H82 | sing | 1.08Å | 1.08Å | |
| C83 | H83 | sing | 1.08Å | 1.08Å | |
| C91 | H911 | sing | 1.09Å | 1.10Å | |
| C91 | H912 | sing | 1.09Å | 1.10Å | |
| C91 | H913 | sing | 1.09Å | 1.10Å | |
| C92 | H921 | sing | 1.09Å | 1.10Å | |
| C92 | H922 | sing | 1.09Å | 1.10Å | |
| C92 | H923 | sing | 1.09Å | 1.10Å | |
| C93 | C94 | doub | 1.39Å | 1.42Å | Aromatic |
| C93 | C98 | sing | 1.38Å | 1.42Å | Aromatic |
| C93 | H93 | sing | 1.08Å | 1.08Å | |
| C94 | C95 | sing | 1.38Å | 1.43Å | Aromatic |
| C94 | H94 | sing | 1.08Å | 1.08Å | |
| C95 | C96 | doub | 1.39Å | 1.43Å | Aromatic |
| C95 | H95 | sing | 1.08Å | 1.08Å | |
| C96 | N97 | sing | 1.33Å | 1.43Å | Aromatic |
| N97 | C98 | doub | 1.32Å | 1.43Å | Aromatic |
| C98 | H98 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C24 | 111.0° | 109.5° |
| C2 | C1 | O36 | 112.3° | 109.5° |
| C2 | C1 | C41 | 96.0° | 109.4° |
| C1 | C2 | O3 | 119.9° | 120.0° |
| C1 | C2 | N4 | 120.5° | 120.0° |
| C24 | C1 | O36 | 105.5° | 109.5° |
| C24 | C1 | C41 | 116.1° | 109.5° |
| C1 | C24 | C25 | 117.1° | 109.5° |
| C1 | C24 | H241 | 105.2° | 109.5° |
| C1 | C24 | H242 | 107.0° | 109.4° |
| O36 | C1 | C41 | 116.0° | 109.4° |
| C1 | O36 | H36 | 109.5° | 106.8° |
| C1 | C41 | N42 | 133.3° | 109.5° |
| C1 | C41 | H411 | 96.7° | 109.4° |
| C1 | C41 | H412 | 102.2° | 109.5° |
| O3 | C2 | N4 | 119.6° | 119.9° |
| C2 | N4 | C5 | 122.2° | 120.0° |
| C2 | N4 | H4 | 118.9° | 120.0° |
| C5 | N4 | H4 | 118.9° | 120.0° |
| N4 | C5 | C6 | 116.3° | 110.3° |
| N4 | C5 | C13 | 115.0° | 110.3° |
| N4 | C5 | H5 | 98.7° | 110.3° |
| C6 | C5 | C13 | 103.8° | 105.2° |
| C6 | C5 | H5 | 110.9° | 110.3° |
| C5 | C6 | C7 | 129.4° | 130.5° |
| C5 | C6 | C11 | 109.3° | 109.7° |
| C13 | C5 | H5 | 112.5° | 110.3° |
| C5 | C13 | C12 | 103.3° | 102.4° |
| C5 | C13 | O14 | 111.7° | 110.8° |
| C5 | C13 | H13 | 111.0° | 110.8° |
| C7 | C6 | C11 | 121.4° | 119.8° |
| C6 | C7 | C8 | 117.9° | 120.2° |
| C6 | C7 | H7 | 121.0° | 119.8° |
| C6 | C11 | C10 | 121.5° | 119.8° |
| C6 | C11 | C12 | 110.7° | 109.8° |
| C8 | C7 | H7 | 121.1° | 119.9° |
| C7 | C8 | C9 | 120.4° | 119.9° |
| C7 | C8 | H8 | 119.8° | 120.0° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| C8 | C9 | C10 | 120.9° | 119.9° |
| C8 | C9 | H9 | 119.6° | 120.1° |
| C10 | C9 | H9 | 119.6° | 120.0° |
| C9 | C10 | C11 | 117.9° | 120.2° |
| C9 | C10 | H10 | 121.0° | 119.9° |
| C11 | C10 | H10 | 121.0° | 119.9° |
| C10 | C11 | C12 | 127.8° | 130.4° |
| C11 | C12 | C13 | 102.9° | 105.2° |
| C11 | C12 | H121 | 113.1° | 110.3° |
| C11 | C12 | H122 | 111.7° | 110.3° |
| C13 | C12 | H121 | 113.1° | 110.2° |
| C13 | C12 | H122 | 111.7° | 110.3° |
| C12 | C13 | O14 | 106.0° | 111.0° |
| C12 | C13 | H13 | 116.3° | 110.9° |
| H121 | C12 | H122 | 104.5° | 110.4° |
| O14 | C13 | H13 | 108.4° | 110.7° |
| C13 | O14 | H14 | 109.5° | 106.8° |
| C25 | C24 | H241 | 105.2° | 109.5° |
| C25 | C24 | H242 | 107.0° | 109.4° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C24 | C25 | C30 | 120.5° | 120.0° |
| H241 | C24 | H242 | 115.7° | 109.5° |
| C26 | C25 | C30 | 119.7° | 120.0° |
| C25 | C26 | C27 | 120.3° | 120.0° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C25 | C30 | C29 | 119.8° | 120.0° |
| C25 | C30 | H30 | 120.1° | 120.0° |
| C27 | C26 | H26 | 119.8° | 120.0° |
| C26 | C27 | C28 | 119.7° | 120.0° |
| C26 | C27 | H27 | 120.1° | 120.0° |
| C28 | C27 | H27 | 120.2° | 120.0° |
| C27 | C28 | C29 | 120.2° | 120.0° |
| C27 | C28 | H28 | 119.9° | 120.0° |
| C29 | C28 | H28 | 119.9° | 120.0° |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C28 | C29 | H29 | 119.9° | 120.0° |
| C30 | C29 | H29 | 119.9° | 120.0° |
| C29 | C30 | H30 | 120.1° | 120.0° |
| N42 | C41 | H411 | 96.7° | 109.5° |
| N42 | C41 | H412 | 102.2° | 109.5° |
| C41 | N42 | N43 | 121.4° | 106.7° |
| C41 | N42 | C44 | 105.1° | 106.7° |
| H411 | C41 | H412 | 130.7° | 109.5° |
| N43 | N42 | C44 | 125.9° | 106.7° |
| N42 | N43 | C45 | 136.3° | 120.0° |
| N42 | N43 | H43 | 111.9° | 120.0° |
| N42 | C44 | C78 | 113.0° | 109.4° |
| N42 | C44 | H441 | 107.5° | 109.5° |
| N42 | C44 | H442 | 108.3° | 109.5° |
| C45 | N43 | H43 | 111.9° | 120.0° |
| N43 | C45 | O46 | 123.3° | 120.0° |
| N43 | C45 | C47 | 115.1° | 120.0° |
| C78 | C44 | H441 | 107.5° | 109.5° |
| C78 | C44 | H442 | 108.3° | 109.5° |
| C44 | C78 | C79 | 119.5° | 119.9° |
| C44 | C78 | C82 | 120.8° | 119.9° |
| H441 | C44 | H442 | 112.2° | 109.5° |
| O46 | C45 | C47 | 121.6° | 120.0° |
| C45 | C47 | C48 | 118.4° | 109.4° |
| C45 | C47 | N51 | 107.4° | 109.5° |
| C45 | C47 | H47 | 104.6° | 109.5° |
| C48 | C47 | N51 | 109.2° | 109.4° |
| C48 | C47 | H47 | 102.7° | 109.4° |
| C47 | C48 | C49 | 112.5° | 109.5° |
| C47 | C48 | C50 | 113.2° | 109.5° |
| C47 | C48 | C92 | 109.7° | 109.5° |
| N51 | C47 | H47 | 114.7° | 109.5° |
| C47 | N51 | C54 | 126.5° | 120.0° |
| C47 | N51 | H51 | 116.8° | 119.9° |
| C49 | C48 | C50 | 106.7° | 109.4° |
| C49 | C48 | C92 | 105.7° | 109.4° |
| C48 | C49 | H491 | 109.4° | 109.4° |
| C48 | C49 | H492 | 109.5° | 109.5° |
| C48 | C49 | H493 | 109.5° | 109.4° |
| C50 | C48 | C92 | 108.7° | 109.5° |
| C48 | C50 | H501 | 109.5° | 109.5° |
| C48 | C50 | H502 | 109.5° | 109.5° |
| C48 | C50 | H503 | 109.5° | 109.5° |
| C48 | C92 | H921 | 109.5° | 109.5° |
| C48 | C92 | H922 | 109.4° | 109.5° |
| C48 | C92 | H923 | 109.5° | 109.4° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H491 | C49 | H493 | 109.5° | 109.4° |
| H492 | C49 | H493 | 109.4° | 109.5° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H501 | C50 | H503 | 109.5° | 109.5° |
| H502 | C50 | H503 | 109.4° | 109.5° |
| C54 | N51 | H51 | 116.8° | 120.1° |
| N51 | C54 | O55 | 119.9° | 120.0° |
| N51 | C54 | O56 | 117.0° | 120.0° |
| O55 | C54 | O56 | 123.1° | 120.0° |
| C54 | O56 | C91 | 122.2° | 120.0° |
| O56 | C91 | H911 | 109.4° | 109.5° |
| O56 | C91 | H912 | 109.5° | 109.5° |
| O56 | C91 | H913 | 109.5° | 109.5° |
| C79 | C78 | C82 | 119.7° | 120.2° |
| C78 | C79 | C80 | 120.3° | 120.1° |
| C78 | C79 | H79 | 119.8° | 119.9° |
| C78 | C82 | C83 | 119.9° | 120.2° |
| C78 | C82 | H82 | 120.0° | 120.0° |
| C80 | C79 | H79 | 119.8° | 120.0° |
| C79 | C80 | C81 | 120.1° | 119.9° |
| C79 | C80 | H80 | 119.9° | 120.0° |
| C81 | C80 | H80 | 120.0° | 120.1° |
| C80 | C81 | C83 | 119.1° | 119.7° |
| C80 | C81 | C96 | 119.8° | 120.1° |
| C83 | C81 | C96 | 121.1° | 120.2° |
| C81 | C83 | C82 | 120.7° | 119.8° |
| C81 | C83 | H83 | 119.6° | 120.0° |
| C81 | C96 | C95 | 121.1° | 119.7° |
| C81 | C96 | N97 | 120.1° | 119.7° |
| C83 | C82 | H82 | 120.1° | 119.9° |
| C82 | C83 | H83 | 119.6° | 120.1° |
| H911 | C91 | H912 | 109.5° | 109.5° |
| H911 | C91 | H913 | 109.4° | 109.4° |
| H912 | C91 | H913 | 109.5° | 109.4° |
| H921 | C92 | H922 | 109.5° | 109.5° |
| H921 | C92 | H923 | 109.4° | 109.5° |
| H922 | C92 | H923 | 109.5° | 109.5° |
| C94 | C93 | C98 | 119.6° | 119.3° |
| C94 | C93 | H93 | 120.2° | 120.3° |
| C93 | C94 | C95 | 120.9° | 118.5° |
| C93 | C94 | H94 | 119.5° | 120.7° |
| C98 | C93 | H93 | 120.2° | 120.3° |
| C93 | C98 | N97 | 119.7° | 121.0° |
| C93 | C98 | H98 | 120.1° | 119.5° |
| C95 | C94 | H94 | 119.5° | 120.8° |
| C94 | C95 | C96 | 119.8° | 119.1° |
| C94 | C95 | H95 | 120.1° | 120.4° |
| C96 | C95 | H95 | 120.1° | 120.5° |
| C95 | C96 | N97 | 118.8° | 120.6° |
| C96 | N97 | C98 | 121.2° | 121.6° |
| N97 | C98 | H98 | 120.1° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C24 | O36 | 121.9° | 120.1° |
| C2 | C1 | C24 | C41 | 108.3° | 120.0° |
| C2 | C1 | O36 | C41 | 109.0° | 120.0° |
| C1 | C2 | O3 | N4 | 179.1° | 180.0° |
| C1 | C2 | N4 | C5 | 179.4° | 180.0° |
| C1 | C2 | N4 | H4 | 0.6° | 0.0° |
| C2 | C1 | C24 | C25 | 39.2° | 179.4° |
| C2 | C1 | C24 | H241 | 77.3° | 59.3° |
| C2 | C1 | C24 | H242 | 159.2° | 60.7° |
| C2 | C1 | O36 | H36 | 86.7° | 34.1° |
| C2 | C1 | C41 | N42 | 179.0° | 53.8° |
| C2 | C1 | C41 | H411 | 73.2° | 173.9° |
| C2 | C1 | C41 | H412 | 61.0° | 66.2° |
| C24 | C1 | O36 | C41 | 129.9° | 120.0° |
| C24 | C1 | C2 | O3 | 80.4° | 94.9° |
| C24 | C1 | C2 | N4 | 98.7° | 85.0° |
| C1 | C24 | C25 | H241 | 116.4° | 120.1° |
| C1 | C24 | C25 | H242 | 120.0° | 119.9° |
| C1 | C24 | H241 | H242 | 117.9° | 120.0° |
| C1 | C24 | C25 | C26 | 104.6° | 95.5° |
| C1 | C24 | C25 | C30 | 74.9° | 84.7° |
| C24 | C1 | O36 | H36 | 152.3° | 154.1° |
| C24 | C1 | C41 | N42 | 62.1° | 173.8° |
| C24 | C1 | C41 | H411 | 43.7° | 66.2° |
| C24 | C1 | C41 | H412 | 177.9° | 53.8° |
| O36 | C1 | C2 | O3 | 161.8° | 145.0° |
| O36 | C1 | C2 | N4 | 19.1° | 35.0° |
| O36 | C1 | C24 | C25 | 82.7° | 60.6° |
| O36 | C1 | C24 | H241 | 160.9° | 179.3° |
| O36 | C1 | C24 | H242 | 37.3° | 59.3° |
| O36 | C1 | C41 | N42 | 62.6° | 66.2° |
| O36 | C1 | C41 | H411 | 168.4° | 53.9° |
| O36 | C1 | C41 | H412 | 57.5° | 173.8° |
| C41 | C1 | C2 | O3 | 40.6° | 25.0° |
| C41 | C1 | C2 | N4 | 140.3° | 155.0° |
| C41 | C1 | C24 | C25 | 147.5° | 59.4° |
| C41 | C1 | C24 | H241 | 31.0° | 60.7° |
| C41 | C1 | C24 | H242 | 92.6° | 179.3° |
| C41 | C1 | O36 | H36 | 22.4° | 85.9° |
| C1 | C41 | N42 | H411 | 105.8° | 120.0° |
| C1 | C41 | N42 | H412 | 120.0° | 120.0° |
| C1 | C41 | H411 | H412 | 112.5° | 119.9° |
| C1 | C41 | N42 | N43 | 52.0° | 154.1° |
| C1 | C41 | N42 | C44 | 156.7° | 92.2° |
| O3 | C2 | N4 | C5 | 0.3° | 0.0° |
| O3 | C2 | N4 | H4 | 179.7° | 180.0° |
| C2 | N4 | C5 | H4 | 180.0° | 180.0° |
| C2 | N4 | C5 | C6 | 85.8° | 87.8° |
| C2 | N4 | C5 | C13 | 152.7° | 156.4° |
| C2 | N4 | C5 | H5 | 32.8° | 34.3° |
| N4 | C5 | C6 | C13 | 127.3° | 119.0° |
| N4 | C5 | C6 | H5 | 111.7° | 122.1° |
| N4 | C5 | C13 | H5 | 111.9° | 122.1° |
| N4 | C5 | C6 | C7 | 33.4° | 43.7° |
| N4 | C5 | C6 | C11 | 146.7° | 136.0° |
| N4 | C5 | C13 | C12 | 158.5° | 145.3° |
| N4 | C5 | C13 | O14 | 44.9° | 26.8° |
| N4 | C5 | C13 | H13 | 76.3° | 96.5° |
| H4 | N4 | C5 | C6 | 94.3° | 92.2° |
| H4 | N4 | C5 | C13 | 27.3° | 23.6° |
| H4 | N4 | C5 | H5 | 147.1° | 145.7° |
| C6 | C5 | C13 | H5 | 119.9° | 118.9° |
| C5 | C6 | C7 | C11 | 179.9° | 179.7° |
| C5 | C6 | C7 | C8 | 179.9° | 179.9° |
| C5 | C6 | C7 | H7 | 0.1° | 0.2° |
| C5 | C6 | C11 | C10 | 179.9° | 180.0° |
| C5 | C6 | C11 | C12 | 0.1° | 0.2° |
| C6 | C5 | C13 | C12 | 30.3° | 26.3° |
| C6 | C5 | C13 | O14 | 83.2° | 92.1° |
| C6 | C5 | C13 | H13 | 155.6° | 144.5° |
| C13 | C5 | C6 | C7 | 160.7° | 162.7° |
| C13 | C5 | C6 | C11 | 19.4° | 17.0° |
| C5 | C13 | C12 | C11 | 29.9° | 26.4° |
| C5 | C13 | C12 | O14 | 117.6° | 118.3° |
| C5 | C13 | C12 | H13 | 121.8° | 118.2° |
| C5 | C13 | C12 | H121 | 152.2° | 145.3° |
| C5 | C13 | C12 | H122 | 90.1° | 92.6° |
| C5 | C13 | O14 | H13 | 122.7° | 123.4° |
| C5 | C13 | O14 | H14 | 46.5° | 180.0° |
| H5 | C5 | C6 | C7 | 78.3° | 78.4° |
| H5 | C5 | C6 | C11 | 101.6° | 101.9° |
| H5 | C5 | C13 | C12 | 89.7° | 92.7° |
| H5 | C5 | C13 | O14 | 156.8° | 148.9° |
| H5 | C5 | C13 | H13 | 35.6° | 25.6° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C7 | C6 | C11 | C10 | 0.0° | 0.2° |
| C7 | C6 | C11 | C12 | 179.9° | 179.9° |
| C11 | C6 | C7 | C8 | 0.2° | 0.2° |
| C11 | C6 | C7 | H7 | 179.8° | 179.9° |
| C6 | C11 | C10 | C9 | 0.2° | 0.1° |
| C6 | C11 | C10 | C12 | 179.9° | 179.8° |
| C6 | C11 | C10 | H10 | 179.9° | 179.9° |
| C6 | C11 | C12 | C13 | 19.3° | 17.3° |
| C6 | C11 | C12 | H121 | 141.6° | 136.2° |
| C6 | C11 | C12 | H122 | 100.7° | 101.6° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.1° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| H8 | C8 | C9 | C10 | 180.0° | 179.9° |
| H8 | C8 | C9 | H9 | 0.0° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.8° | 179.9° |
| H9 | C9 | C10 | C11 | 179.8° | 179.9° |
| H9 | C9 | C10 | H10 | 0.2° | 0.0° |
| C10 | C11 | C12 | C13 | 160.7° | 162.9° |
| C10 | C11 | C12 | H121 | 38.3° | 44.0° |
| C10 | C11 | C12 | H122 | 79.4° | 78.2° |
| H10 | C10 | C11 | C12 | 0.2° | 0.1° |
| C11 | C12 | C13 | H121 | 122.4° | 118.9° |
| C11 | C12 | C13 | H122 | 120.0° | 119.0° |
| C11 | C12 | H121 | H122 | 121.8° | 122.2° |
| C11 | C12 | C13 | O14 | 87.8° | 91.9° |
| C11 | C12 | C13 | H13 | 151.6° | 144.6° |
| C13 | C12 | H121 | H122 | 121.7° | 122.1° |
| C12 | C13 | O14 | H13 | 125.5° | 123.6° |
| C12 | C13 | O14 | H14 | 65.3° | 67.0° |
| H121 | C12 | C13 | O14 | 34.6° | 27.0° |
| H121 | C12 | C13 | H13 | 86.0° | 96.5° |
| H122 | C12 | C13 | O14 | 152.2° | 149.1° |
| H122 | C12 | C13 | H13 | 31.6° | 25.6° |
| H13 | C13 | O14 | H14 | 169.1° | 56.6° |
| C25 | C24 | H241 | H242 | 117.8° | 120.0° |
| C24 | C25 | C26 | C30 | 179.5° | 179.8° |
| C24 | C25 | C26 | C27 | 179.4° | 180.0° |
| C24 | C25 | C26 | H26 | 0.5° | 0.0° |
| C24 | C25 | C30 | C29 | 179.4° | 179.8° |
| C24 | C25 | C30 | H30 | 0.6° | 0.2° |
| H241 | C24 | C25 | C26 | 11.9° | 24.6° |
| H241 | C24 | C25 | C30 | 168.7° | 155.2° |
| H242 | C24 | C25 | C26 | 135.4° | 144.6° |
| H242 | C24 | C25 | C30 | 45.1° | 35.2° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.4° |
| C26 | C25 | C30 | H30 | 179.9° | 180.0° |
| C30 | C25 | C26 | C27 | 0.0° | 0.2° |
| C30 | C25 | C26 | H26 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.1° | 0.4° |
| C25 | C30 | C29 | H30 | 180.0° | 179.6° |
| C25 | C30 | C29 | H29 | 179.9° | 179.8° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| H26 | C26 | C27 | C28 | 180.0° | 180.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.2° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| H27 | C27 | C28 | C29 | 180.0° | 180.0° |
| H27 | C27 | C28 | H28 | 0.0° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| H28 | C28 | C29 | C30 | 180.0° | 179.8° |
| H28 | C28 | C29 | H29 | 0.0° | 0.0° |
| H29 | C29 | C30 | H30 | 0.1° | 0.2° |
| N42 | C41 | H411 | H412 | 112.4° | 120.0° |
| C41 | N42 | N43 | C44 | 145.1° | 113.7° |
| C41 | N42 | N43 | C45 | 60.6° | 119.3° |
| C41 | N42 | N43 | H43 | 119.3° | 60.7° |
| C41 | N42 | C44 | C78 | 121.2° | 176.5° |
| C41 | N42 | C44 | H441 | 2.8° | 63.5° |
| C41 | N42 | C44 | H442 | 118.7° | 56.5° |
| H411 | C41 | N42 | N43 | 53.8° | 85.9° |
| H411 | C41 | N42 | C44 | 97.5° | 27.8° |
| H412 | C41 | N42 | N43 | 172.0° | 34.1° |
| H412 | C41 | N42 | C44 | 36.7° | 147.8° |
| N42 | N43 | C45 | H43 | 180.0° | 180.0° |
| N43 | N42 | C44 | C78 | 28.4° | 69.7° |
| N43 | N42 | C44 | H441 | 146.8° | 50.3° |
| N43 | N42 | C44 | H442 | 91.7° | 170.3° |
| N42 | N43 | C45 | O46 | 16.7° | 4.8° |
| N42 | N43 | C45 | C47 | 163.3° | 175.3° |
| C44 | N42 | N43 | C45 | 84.5° | 127.0° |
| C44 | N42 | N43 | H43 | 95.6° | 53.0° |
| N42 | C44 | C78 | H441 | 118.5° | 120.0° |
| N42 | C44 | C78 | H442 | 120.0° | 120.0° |
| N42 | C44 | H441 | H442 | 119.0° | 120.0° |
| N42 | C44 | C78 | C79 | 101.6° | 93.9° |
| N42 | C44 | C78 | C82 | 77.3° | 86.4° |
| N43 | C45 | O46 | C47 | 180.0° | 179.9° |
| N43 | C45 | C47 | C48 | 132.1° | 90.1° |
| N43 | C45 | C47 | N51 | 103.7° | 149.9° |
| N43 | C45 | C47 | H47 | 18.6° | 29.8° |
| H43 | N43 | C45 | O46 | 163.3° | 175.2° |
| H43 | N43 | C45 | C47 | 16.7° | 4.7° |
| C78 | C44 | H441 | H442 | 119.0° | 120.1° |
| C44 | C78 | C79 | C82 | 178.9° | 179.7° |
| C44 | C78 | C79 | C80 | 178.6° | 180.0° |
| C44 | C78 | C79 | H79 | 1.4° | 0.1° |
| C44 | C78 | C82 | C83 | 178.3° | 179.8° |
| C44 | C78 | C82 | H82 | 1.7° | 0.3° |
| H441 | C44 | C78 | C79 | 139.9° | 26.1° |
| H441 | C44 | C78 | C82 | 41.1° | 153.6° |
| H442 | C44 | C78 | C79 | 18.4° | 146.1° |
| H442 | C44 | C78 | C82 | 162.7° | 33.6° |
| O46 | C45 | C47 | C48 | 47.9° | 90.0° |
| O46 | C45 | C47 | N51 | 76.2° | 30.0° |
| O46 | C45 | C47 | H47 | 161.4° | 150.1° |
| C45 | C47 | C48 | N51 | 123.3° | 120.0° |
| C45 | C47 | C48 | H47 | 114.6° | 120.0° |
| C45 | C47 | N51 | H47 | 115.8° | 120.1° |
| C45 | C47 | C48 | C49 | 177.9° | 58.8° |
| C45 | C47 | C48 | C50 | 56.8° | 61.2° |
| C45 | C47 | C48 | C92 | 64.8° | 178.8° |
| C45 | C47 | N51 | C54 | 119.4° | 155.0° |
| C45 | C47 | N51 | H51 | 60.6° | 24.9° |
| C48 | C47 | N51 | H47 | 114.6° | 119.9° |
| C47 | C48 | C49 | C50 | 124.7° | 120.0° |
| C47 | C48 | C49 | C92 | 119.7° | 120.0° |
| C47 | C48 | C50 | C92 | 122.2° | 120.0° |
| C47 | C48 | C49 | H491 | 48.2° | 56.7° |
| C47 | C48 | C49 | H492 | 71.8° | 176.7° |
| C47 | C48 | C49 | H493 | 168.2° | 63.2° |
| C47 | C48 | C50 | H501 | 111.9° | 54.2° |
| C47 | C48 | C50 | H502 | 128.0° | 174.2° |
| C47 | C48 | C50 | H503 | 8.1° | 65.8° |
| C48 | C47 | N51 | C54 | 111.0° | 85.0° |
| C48 | C47 | N51 | H51 | 69.0° | 95.0° |
| C47 | C48 | C92 | H921 | 109.7° | 60.0° |
| C47 | C48 | C92 | H922 | 130.3° | 180.0° |
| C47 | C48 | C92 | H923 | 10.3° | 60.0° |
| N51 | C47 | C48 | C49 | 58.8° | 61.2° |
| N51 | C47 | C48 | C50 | 179.9° | 178.8° |
| N51 | C47 | C48 | C92 | 58.5° | 58.8° |
| C47 | N51 | C54 | H51 | 180.0° | 179.9° |
| C47 | N51 | C54 | O55 | 0.3° | 0.0° |
| C47 | N51 | C54 | O56 | 179.7° | 180.0° |
| H47 | C47 | C48 | C49 | 63.3° | 178.8° |
| H47 | C47 | C48 | C50 | 57.8° | 58.8° |
| H47 | C47 | C48 | C92 | 179.4° | 61.2° |
| H47 | C47 | N51 | C54 | 3.6° | 34.9° |
| H47 | C47 | N51 | H51 | 176.4° | 145.0° |
| C49 | C48 | C50 | C92 | 113.6° | 119.9° |
| C48 | C49 | H491 | H492 | 120.0° | 120.0° |
| C48 | C49 | H491 | H493 | 120.0° | 119.9° |
| C48 | C49 | H492 | H493 | 120.0° | 120.0° |
| C49 | C48 | C50 | H501 | 123.8° | 174.2° |
| C49 | C48 | C50 | H502 | 3.8° | 65.8° |
| C49 | C48 | C50 | H503 | 116.2° | 54.2° |
| C49 | C48 | C92 | H921 | 11.8° | 60.0° |
| C49 | C48 | C92 | H922 | 108.2° | 60.0° |
| C49 | C48 | C92 | H923 | 131.8° | 180.0° |
| C50 | C48 | C49 | H491 | 173.0° | 63.3° |
| C50 | C48 | C49 | H492 | 52.9° | 56.7° |
| C50 | C48 | C49 | H493 | 67.1° | 176.8° |
| C48 | C50 | H501 | H502 | 120.0° | 120.0° |
| C48 | C50 | H501 | H503 | 120.0° | 120.0° |
| C48 | C50 | H502 | H503 | 120.0° | 120.0° |
| C50 | C48 | C92 | H921 | 126.0° | 180.0° |
| C50 | C48 | C92 | H922 | 6.0° | 60.0° |
| C50 | C48 | C92 | H923 | 114.0° | 60.0° |
| C92 | C48 | C49 | H491 | 71.4° | 176.7° |
| C92 | C48 | C49 | H492 | 168.5° | 63.2° |
| C92 | C48 | C49 | H493 | 48.6° | 56.8° |
| C92 | C48 | C50 | H501 | 10.2° | 65.8° |
| C92 | C48 | C50 | H502 | 109.8° | 54.2° |
| C92 | C48 | C50 | H503 | 130.2° | 174.2° |
| C48 | C92 | H921 | H922 | 120.0° | 120.0° |
| C48 | C92 | H921 | H923 | 120.0° | 119.9° |
| C48 | C92 | H922 | H923 | 120.0° | 120.0° |
| H491 | C49 | H492 | H493 | 120.0° | 120.0° |
| H501 | C50 | H502 | H503 | 120.0° | 120.0° |
| N51 | C54 | O55 | O56 | 180.0° | 180.0° |
| N51 | C54 | O56 | C91 | 180.0° | 180.0° |
| H51 | N51 | C54 | O55 | 179.7° | 180.0° |
| H51 | N51 | C54 | O56 | 0.3° | 0.0° |
| O55 | C54 | O56 | C91 | 0.1° | 0.0° |
| C54 | O56 | C91 | H911 | 173.0° | 60.0° |
| C54 | O56 | C91 | H912 | 53.0° | 180.0° |
| C54 | O56 | C91 | H913 | 67.1° | 60.0° |
| O56 | C91 | H911 | H912 | 120.0° | 120.0° |
| O56 | C91 | H911 | H913 | 120.0° | 120.0° |
| O56 | C91 | H912 | H913 | 120.1° | 120.0° |
| C78 | C79 | C80 | H79 | 180.0° | 180.0° |
| C78 | C79 | C80 | C81 | 0.3° | 0.0° |
| C78 | C79 | C80 | H80 | 179.7° | 180.0° |
| C79 | C78 | C82 | C83 | 0.6° | 0.6° |
| C79 | C78 | C82 | H82 | 179.4° | 179.9° |
| C82 | C78 | C79 | C80 | 0.4° | 0.3° |
| C82 | C78 | C79 | H79 | 179.6° | 179.7° |
| C78 | C82 | C83 | C81 | 0.1° | 0.5° |
| C78 | C82 | C83 | H82 | 180.0° | 179.5° |
| C78 | C82 | C83 | H83 | 179.9° | 179.7° |
| C79 | C80 | C81 | H80 | 180.0° | 180.0° |
| C79 | C80 | C81 | C83 | 0.8° | 0.0° |
| C79 | C80 | C81 | C96 | 178.8° | 180.0° |
| H79 | C79 | C80 | C81 | 179.7° | 180.0° |
| H79 | C79 | C80 | H80 | 0.3° | 0.0° |
| C80 | C81 | C83 | C96 | 179.6° | 180.0° |
| C80 | C81 | C83 | C82 | 0.6° | 0.2° |
| C80 | C81 | C83 | H83 | 179.4° | 180.0° |
| C80 | C81 | C96 | C95 | 179.0° | 140.3° |
| C80 | C81 | C96 | N97 | 0.6° | 40.1° |
| H80 | C80 | C81 | C83 | 179.2° | 180.0° |
| H80 | C80 | C81 | C96 | 1.2° | 0.0° |
| C81 | C83 | C82 | H83 | 180.0° | 179.8° |
| C81 | C83 | C82 | H82 | 179.9° | 180.0° |
| C83 | C81 | C96 | C95 | 0.6° | 39.7° |
| C83 | C81 | C96 | N97 | 179.8° | 140.0° |
| C96 | C81 | C83 | C82 | 179.0° | 179.7° |
| C96 | C81 | C83 | H83 | 1.0° | 0.1° |
| C81 | C96 | C95 | C94 | 179.6° | 180.0° |
| C81 | C96 | C95 | N97 | 179.5° | 179.6° |
| C81 | C96 | C95 | H95 | 0.4° | 0.1° |
| C81 | C96 | N97 | C98 | 179.7° | 179.7° |
| H82 | C82 | C83 | H83 | 0.1° | 0.2° |
| H911 | C91 | H912 | H913 | 120.0° | 120.0° |
| H921 | C92 | H922 | H923 | 120.0° | 120.0° |
| C94 | C93 | C98 | H93 | 180.0° | 179.9° |
| C93 | C94 | C95 | H94 | 180.0° | 180.0° |
| C93 | C94 | C95 | C96 | 0.0° | 0.1° |
| C93 | C94 | C95 | H95 | 180.0° | 180.0° |
| C94 | C93 | C98 | N97 | 0.1° | 0.3° |
| C94 | C93 | C98 | H98 | 179.9° | 180.0° |
| C98 | C93 | C94 | C95 | 0.0° | 0.0° |
| C98 | C93 | C94 | H94 | 180.0° | 180.0° |
| C93 | C98 | N97 | C96 | 0.2° | 0.6° |
| C93 | C98 | N97 | H98 | 180.0° | 179.7° |
| H93 | C93 | C94 | C95 | 180.0° | 179.9° |
| H93 | C93 | C94 | H94 | 0.0° | 0.0° |
| H93 | C93 | C98 | N97 | 179.9° | 179.8° |
| H93 | C93 | C98 | H98 | 0.1° | 0.1° |
| C94 | C95 | C96 | H95 | 180.0° | 179.9° |
| C94 | C95 | C96 | N97 | 0.0° | 0.4° |
| H94 | C94 | C95 | C96 | 180.0° | 179.9° |
| H94 | C94 | C95 | H95 | 0.0° | 0.0° |
| C95 | C96 | N97 | C98 | 0.1° | 0.6° |
| H95 | C95 | C96 | N97 | 180.0° | 179.7° |
| C96 | N97 | C98 | H98 | 179.8° | 179.7° |
