L01
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.54Å | |
| C1 | H1C1 | sing | 1.10Å | 1.12Å | |
| C1 | H1C2 | sing | 1.10Å | 1.12Å | |
| C1 | H1C3 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.52Å | 1.54Å | |
| C2 | H2C1 | sing | 1.10Å | 1.12Å | |
| C2 | H2C2 | sing | 1.10Å | 1.12Å | |
| C3 | N4 | sing | 1.46Å | 1.47Å | |
| C3 | H3C1 | sing | 1.09Å | 1.12Å | |
| C3 | H3C2 | sing | 1.09Å | 1.12Å | |
| N4 | C5 | sing | 1.46Å | 1.47Å | |
| N4 | C8 | sing | 1.41Å | 1.33Å | |
| C5 | C6 | sing | 1.52Å | 1.54Å | |
| C5 | H5C1 | sing | 1.09Å | 1.11Å | |
| C5 | H5C2 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.52Å | 1.53Å | |
| C6 | H6C1 | sing | 1.10Å | 1.12Å | |
| C6 | H6C2 | sing | 1.10Å | 1.12Å | |
| C7 | H7C1 | sing | 1.10Å | 1.12Å | |
| C7 | H7C2 | sing | 1.10Å | 1.12Å | |
| C7 | H7C3 | sing | 1.09Å | 1.12Å | |
| C8 | O9 | doub | 1.24Å | 1.22Å | |
| C8 | C10 | sing | 1.45Å | 1.48Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.49Å | 1.46Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | O17 | doub | 1.23Å | 1.22Å | |
| C16 | N18 | sing | 1.38Å | 1.35Å | |
| N18 | C19 | sing | 1.45Å | 1.44Å | |
| N18 | H18 | sing | 1.01Å | 1.02Å | |
| C19 | C21 | sing | 1.54Å | 1.51Å | |
| C19 | C28 | sing | 1.54Å | 1.51Å | |
| C19 | H19 | sing | 1.10Å | 1.11Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H211 | sing | 1.10Å | 1.12Å | |
| C21 | H212 | sing | 1.10Å | 1.11Å | |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.39Å | 1.37Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | O30 | sing | 1.43Å | 1.42Å | |
| C28 | C31 | sing | 1.53Å | 1.54Å | |
| C28 | H28 | sing | 1.10Å | 1.11Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| C31 | N32 | sing | 1.48Å | 1.48Å | |
| C31 | H311 | sing | 1.10Å | 1.12Å | |
| C31 | H312 | sing | 1.10Å | 1.11Å | |
| N32 | C35 | sing | 1.45Å | 1.49Å | |
| N32 | H32 | sing | 1.01Å | 1.02Å | |
| C35 | C36 | sing | 1.50Å | 1.53Å | |
| C35 | H351 | sing | 1.10Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.40Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | O41 | sing | 1.36Å | 1.37Å | |
| C40 | C43 | sing | 1.40Å | 1.40Å | Aromatic |
| O41 | C42 | sing | 1.43Å | 1.43Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1C1 | 115.3° | 111.0° |
| C2 | C1 | H1C2 | 110.1° | 110.1° |
| C2 | C1 | H1C3 | 110.1° | 111.4° |
| C1 | C2 | C3 | 115.3° | 112.7° |
| C1 | C2 | H2C1 | 110.1° | 108.7° |
| C1 | C2 | H2C2 | 110.1° | 109.2° |
| H1C1 | C1 | H1C2 | 110.1° | 108.0° |
| H1C1 | C1 | H1C3 | 110.1° | 108.4° |
| H1C2 | C1 | H1C3 | 100.1° | 107.9° |
| C3 | C2 | H2C1 | 110.1° | 108.8° |
| C3 | C2 | H2C2 | 110.1° | 110.1° |
| C2 | C3 | N4 | 114.3° | 112.4° |
| C2 | C3 | H3C1 | 110.5° | 110.0° |
| C2 | C3 | H3C2 | 110.4° | 111.3° |
| H2C1 | C2 | H2C2 | 100.1° | 107.2° |
| N4 | C3 | H3C1 | 110.5° | 107.0° |
| N4 | C3 | H3C2 | 110.5° | 107.8° |
| C3 | N4 | C5 | 121.0° | 115.6° |
| C3 | N4 | C8 | 116.5° | 122.2° |
| H3C1 | C3 | H3C2 | 99.8° | 108.1° |
| C5 | N4 | C8 | 122.5° | 122.1° |
| N4 | C5 | C6 | 109.0° | 112.4° |
| N4 | C5 | H5C1 | 112.4° | 107.0° |
| N4 | C5 | H5C2 | 112.4° | 107.8° |
| N4 | C8 | O9 | 117.1° | 124.1° |
| N4 | C8 | C10 | 123.3° | 118.9° |
| C6 | C5 | H5C1 | 112.4° | 110.0° |
| C6 | C5 | H5C2 | 112.4° | 111.3° |
| C5 | C6 | C7 | 110.0° | 112.8° |
| C5 | C6 | H6C1 | 112.0° | 108.9° |
| C5 | C6 | H6C2 | 112.0° | 110.0° |
| H5C1 | C5 | H5C2 | 98.1° | 108.1° |
| C7 | C6 | H6C1 | 112.0° | 108.6° |
| C7 | C6 | H6C2 | 112.0° | 109.2° |
| C6 | C7 | H7C1 | 110.0° | 111.0° |
| C6 | C7 | H7C2 | 112.0° | 110.1° |
| C6 | C7 | H7C3 | 112.0° | 111.4° |
| H6C1 | C6 | H6C2 | 98.4° | 107.2° |
| H7C1 | C7 | H7C2 | 112.0° | 108.0° |
| H7C1 | C7 | H7C3 | 112.0° | 108.4° |
| H7C2 | C7 | H7C3 | 98.4° | 107.8° |
| O9 | C8 | C10 | 119.6° | 117.0° |
| C8 | C10 | C11 | 117.0° | 120.0° |
| C8 | C10 | C15 | 123.1° | 120.1° |
| C11 | C10 | C15 | 119.9° | 120.0° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C10 | C11 | H11 | 119.7° | 120.6° |
| C10 | C15 | C14 | 118.9° | 118.9° |
| C10 | C15 | H15 | 120.6° | 120.0° |
| C12 | C11 | H11 | 119.7° | 119.4° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | C14 | 119.7° | 118.9° |
| C12 | C13 | H13 | 120.1° | 119.4° |
| C14 | C13 | H13 | 120.1° | 121.7° |
| C13 | C14 | C15 | 120.6° | 122.2° |
| C13 | C14 | C16 | 117.3° | 118.9° |
| C15 | C14 | C16 | 122.0° | 118.9° |
| C14 | C15 | H15 | 120.5° | 121.1° |
| C14 | C16 | O17 | 118.9° | 119.3° |
| C14 | C16 | N18 | 117.9° | 115.7° |
| O17 | C16 | N18 | 123.2° | 125.0° |
| C16 | N18 | C19 | 123.9° | 122.2° |
| C16 | N18 | H18 | 118.1° | 120.7° |
| C19 | N18 | H18 | 118.1° | 116.9° |
| N18 | C19 | C21 | 108.1° | 108.8° |
| N18 | C19 | C28 | 107.5° | 110.7° |
| N18 | C19 | H19 | 110.5° | 105.6° |
| C21 | C19 | C28 | 109.6° | 113.6° |
| C21 | C19 | H19 | 110.5° | 109.4° |
| C19 | C21 | C22 | 112.9° | 113.9° |
| C19 | C21 | H211 | 110.9° | 110.3° |
| C19 | C21 | H212 | 111.0° | 109.6° |
| C28 | C19 | H19 | 110.5° | 108.5° |
| C19 | C28 | O30 | 105.4° | 109.2° |
| C19 | C28 | C31 | 110.4° | 112.4° |
| C19 | C28 | H28 | 109.4° | 109.1° |
| C22 | C21 | H211 | 111.0° | 110.1° |
| C22 | C21 | H212 | 111.0° | 107.7° |
| C21 | C22 | C23 | 121.3° | 119.3° |
| C21 | C22 | C27 | 120.5° | 119.4° |
| H211 | C21 | H212 | 99.4° | 104.8° |
| C23 | C22 | C27 | 118.2° | 121.2° |
| C22 | C23 | C24 | 119.6° | 119.4° |
| C22 | C23 | H23 | 120.2° | 121.2° |
| C22 | C27 | C26 | 121.9° | 119.4° |
| C22 | C27 | H27 | 119.1° | 121.1° |
| C24 | C23 | H23 | 120.2° | 119.5° |
| C23 | C24 | C25 | 122.0° | 120.0° |
| C23 | C24 | H24 | 119.0° | 120.0° |
| C25 | C24 | H24 | 119.0° | 120.0° |
| C24 | C25 | C26 | 118.8° | 120.0° |
| C24 | C25 | H25 | 120.6° | 120.0° |
| C26 | C25 | H25 | 120.6° | 120.0° |
| C25 | C26 | C27 | 119.5° | 120.0° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C27 | C26 | H26 | 120.2° | 120.0° |
| C26 | C27 | H27 | 119.1° | 119.5° |
| O30 | C28 | C31 | 112.6° | 109.4° |
| O30 | C28 | H28 | 109.5° | 107.3° |
| C28 | O30 | H30 | 105.4° | 106.4° |
| C31 | C28 | H28 | 109.4° | 109.4° |
| C28 | C31 | N32 | 113.8° | 109.8° |
| C28 | C31 | H311 | 110.6° | 111.6° |
| C28 | C31 | H312 | 110.6° | 111.1° |
| N32 | C31 | H311 | 110.6° | 107.6° |
| N32 | C31 | H312 | 110.6° | 107.7° |
| C31 | N32 | C35 | 113.1° | 110.1° |
| C31 | N32 | H32 | 110.9° | 107.9° |
| H311 | C31 | H312 | 99.7° | 109.0° |
| C35 | N32 | H32 | 110.9° | 110.4° |
| N32 | C35 | C36 | 115.6° | 112.0° |
| N32 | C35 | H351 | 110.0° | 107.9° |
| N32 | C35 | H352 | 109.9° | 107.8° |
| C36 | C35 | H351 | 110.0° | 110.6° |
| C36 | C35 | H352 | 110.0° | 111.0° |
| C35 | C36 | C37 | 120.2° | 119.6° |
| C35 | C36 | C43 | 123.0° | 119.6° |
| H351 | C35 | H352 | 100.2° | 107.3° |
| C37 | C36 | C43 | 116.9° | 120.8° |
| C36 | C37 | C38 | 121.4° | 119.6° |
| C36 | C37 | H37 | 119.3° | 120.9° |
| C36 | C43 | C40 | 123.0° | 119.6° |
| C36 | C43 | H43 | 118.5° | 120.5° |
| C38 | C37 | H37 | 119.3° | 119.5° |
| C37 | C38 | C39 | 120.9° | 120.0° |
| C37 | C38 | H38 | 119.6° | 120.0° |
| C39 | C38 | H38 | 119.5° | 120.0° |
| C38 | C39 | C40 | 118.8° | 120.0° |
| C38 | C39 | H39 | 120.6° | 119.7° |
| C40 | C39 | H39 | 120.6° | 120.4° |
| C39 | C40 | O41 | 125.2° | 120.0° |
| C39 | C40 | C43 | 119.0° | 120.0° |
| O41 | C40 | C43 | 115.8° | 120.0° |
| C40 | O41 | C42 | 114.8° | 117.1° |
| C40 | C43 | H43 | 118.5° | 119.8° |
| O41 | C42 | H421 | 114.7° | 109.6° |
| O41 | C42 | H422 | 110.3° | 109.5° |
| O41 | C42 | H423 | 110.3° | 109.0° |
| H421 | C42 | H422 | 110.3° | 110.0° |
| H421 | C42 | H423 | 110.2° | 109.3° |
| H422 | C42 | H423 | 100.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1C1 | H1C2 | 125.3° | 120.7° |
| C2 | C1 | H1C1 | H1C3 | 125.3° | 122.7° |
| C2 | C1 | H1C2 | H1C3 | 115.9° | 121.8° |
| C1 | C2 | C3 | H2C1 | 125.3° | 120.6° |
| C1 | C2 | C3 | H2C2 | 125.3° | 122.1° |
| C1 | C2 | H2C1 | H2C2 | 115.9° | 117.9° |
| C1 | C2 | C3 | N4 | 17.3° | 179.2° |
| C1 | C2 | C3 | H3C1 | 142.6° | 60.0° |
| C1 | C2 | C3 | H3C2 | 108.0° | 59.8° |
| H1C1 | C1 | H1C2 | H1C3 | 115.9° | 117.0° |
| H1C1 | C1 | C2 | C3 | 180.0° | 57.9° |
| H1C1 | C1 | C2 | H2C1 | 54.8° | 62.8° |
| H1C1 | C1 | C2 | H2C2 | 54.7° | 179.4° |
| H1C2 | C1 | C2 | C3 | 54.7° | 177.4° |
| H1C2 | C1 | C2 | H2C1 | 70.5° | 56.7° |
| H1C2 | C1 | C2 | H2C2 | 180.0° | 60.0° |
| H1C3 | C1 | C2 | C3 | 54.8° | 63.0° |
| H1C3 | C1 | C2 | H2C1 | 180.0° | 176.3° |
| H1C3 | C1 | C2 | H2C2 | 70.5° | 59.7° |
| C3 | C2 | H2C1 | H2C2 | 115.9° | 119.0° |
| C2 | C3 | N4 | H3C1 | 125.3° | 120.9° |
| C2 | C3 | N4 | H3C2 | 125.3° | 123.0° |
| C2 | C3 | H3C1 | H3C2 | 116.3° | 121.7° |
| C2 | C3 | N4 | C5 | 76.8° | 90.0° |
| C2 | C3 | N4 | C8 | 106.0° | 90.0° |
| H2C1 | C2 | C3 | N4 | 108.0° | 58.5° |
| H2C1 | C2 | C3 | H3C1 | 17.3° | 60.6° |
| H2C1 | C2 | C3 | H3C2 | 126.8° | 179.6° |
| H2C2 | C2 | C3 | N4 | 142.6° | 58.7° |
| H2C2 | C2 | C3 | H3C1 | 92.1° | 177.9° |
| H2C2 | C2 | C3 | H3C2 | 17.3° | 62.3° |
| N4 | C3 | H3C1 | H3C2 | 116.3° | 115.9° |
| C3 | N4 | C5 | C8 | 177.0° | 180.0° |
| C3 | N4 | C5 | C6 | 78.3° | 90.0° |
| C3 | N4 | C5 | H5C1 | 156.4° | 30.9° |
| C3 | N4 | C5 | H5C2 | 47.0° | 147.0° |
| C3 | N4 | C8 | O9 | 17.0° | 0.1° |
| C3 | N4 | C8 | C10 | 163.7° | 179.3° |
| H3C1 | C3 | N4 | C5 | 48.5° | 30.9° |
| H3C1 | C3 | N4 | C8 | 128.7° | 149.2° |
| H3C2 | C3 | N4 | C5 | 157.9° | 147.0° |
| H3C2 | C3 | N4 | C8 | 19.3° | 33.0° |
| N4 | C5 | C6 | H5C1 | 125.3° | 119.1° |
| N4 | C5 | C6 | H5C2 | 125.2° | 121.1° |
| N4 | C5 | H5C1 | H5C2 | 118.3° | 115.9° |
| N4 | C5 | C6 | C7 | 107.4° | 179.1° |
| N4 | C5 | C6 | H6C1 | 127.4° | 58.5° |
| N4 | C5 | C6 | H6C2 | 17.9° | 58.7° |
| C5 | N4 | C8 | O9 | 160.1° | 180.0° |
| C5 | N4 | C8 | C10 | 19.2° | 0.7° |
| C8 | N4 | C5 | C6 | 98.7° | 90.0° |
| C8 | N4 | C5 | H5C1 | 26.6° | 149.1° |
| C8 | N4 | C5 | H5C2 | 136.0° | 33.0° |
| N4 | C8 | O9 | C10 | 179.3° | 179.4° |
| N4 | C8 | C10 | C11 | 133.0° | 90.1° |
| N4 | C8 | C10 | C15 | 49.0° | 89.9° |
| C6 | C5 | H5C1 | H5C2 | 118.3° | 121.7° |
| C5 | C6 | C7 | H6C1 | 125.3° | 120.7° |
| C5 | C6 | C7 | H6C2 | 125.2° | 122.7° |
| C5 | C6 | H6C1 | H6C2 | 117.9° | 119.0° |
| C5 | C6 | C7 | H7C1 | 180.0° | 57.9° |
| C5 | C6 | C7 | H7C2 | 54.7° | 177.4° |
| C5 | C6 | C7 | H7C3 | 54.8° | 63.0° |
| H5C1 | C5 | C6 | C7 | 17.9° | 60.0° |
| H5C1 | C5 | C6 | H6C1 | 107.4° | 60.7° |
| H5C1 | C5 | C6 | H6C2 | 143.1° | 177.8° |
| H5C2 | C5 | C6 | C7 | 127.4° | 59.8° |
| H5C2 | C5 | C6 | H6C1 | 2.1° | 179.6° |
| H5C2 | C5 | C6 | H6C2 | 107.4° | 62.4° |
| C7 | C6 | H6C1 | H6C2 | 117.9° | 117.9° |
| C6 | C7 | H7C1 | H7C2 | 125.2° | 120.8° |
| C6 | C7 | H7C1 | H7C3 | 125.2° | 122.7° |
| C6 | C7 | H7C2 | H7C3 | 117.9° | 121.7° |
| H6C1 | C6 | C7 | H7C1 | 54.7° | 62.8° |
| H6C1 | C6 | C7 | H7C2 | NaN° | 56.7° |
| H6C1 | C6 | C7 | H7C3 | 70.5° | 176.3° |
| H6C2 | C6 | C7 | H7C1 | 54.8° | 179.4° |
| H6C2 | C6 | C7 | H7C2 | 70.5° | 59.9° |
| H6C2 | C6 | C7 | H7C3 | 180.0° | 59.7° |
| H7C1 | C7 | H7C2 | H7C3 | 117.9° | 116.9° |
| O9 | C8 | C10 | C11 | 46.3° | 89.3° |
| O9 | C8 | C10 | C15 | 131.7° | 90.7° |
| C8 | C10 | C11 | C15 | 178.1° | 180.0° |
| C8 | C10 | C11 | C12 | 179.8° | 179.9° |
| C8 | C10 | C11 | H11 | 0.3° | 0.0° |
| C8 | C10 | C15 | C14 | 179.8° | 179.9° |
| C8 | C10 | C15 | H15 | 0.1° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.4° | 0.1° |
| C10 | C11 | C12 | H12 | 178.7° | 179.9° |
| C11 | C10 | C15 | C14 | 1.9° | 0.0° |
| C11 | C10 | C15 | H15 | 178.1° | 179.9° |
| C15 | C10 | C11 | C12 | 1.7° | 0.1° |
| C15 | C10 | C11 | H11 | 178.3° | 180.0° |
| C10 | C15 | C14 | C13 | 1.8° | 0.0° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C10 | C15 | C14 | C16 | 179.5° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.3° | 0.0° |
| C11 | C12 | C13 | H13 | 178.7° | 179.9° |
| H11 | C11 | C12 | C13 | 178.7° | 180.0° |
| H11 | C11 | C12 | H12 | 1.3° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.5° | 0.0° |
| C12 | C13 | C14 | C16 | 179.8° | 179.8° |
| H12 | C12 | C13 | C14 | 178.7° | 179.9° |
| H12 | C12 | C13 | H13 | 1.3° | 0.1° |
| C13 | C14 | C15 | C16 | 178.6° | 179.8° |
| C13 | C14 | C15 | H15 | 178.2° | 179.9° |
| C13 | C14 | C16 | O17 | 34.2° | 25.7° |
| C13 | C14 | C16 | N18 | 144.2° | 153.2° |
| H13 | C13 | C14 | C15 | 178.5° | 179.9° |
| H13 | C13 | C14 | C16 | 0.2° | 0.1° |
| C15 | C14 | C16 | O17 | 147.1° | 154.1° |
| C15 | C14 | C16 | N18 | 34.5° | 27.0° |
| C16 | C14 | C15 | H15 | 0.5° | 0.1° |
| C14 | C16 | O17 | N18 | 178.3° | 178.8° |
| C14 | C16 | N18 | C19 | 167.0° | 178.8° |
| C14 | C16 | N18 | H18 | 13.0° | 3.0° |
| O17 | C16 | N18 | C19 | 14.6° | 0.0° |
| O17 | C16 | N18 | H18 | 165.4° | 175.8° |
| C16 | N18 | C19 | H18 | 180.0° | 176.0° |
| C16 | N18 | C19 | C21 | 130.7° | 117.3° |
| C16 | N18 | C19 | C28 | 111.0° | 117.2° |
| C16 | N18 | C19 | H19 | 9.7° | 0.1° |
| N18 | C19 | C21 | C28 | 116.9° | 123.8° |
| N18 | C19 | C21 | H19 | 121.1° | 114.9° |
| N18 | C19 | C28 | H19 | 120.7° | 115.4° |
| N18 | C19 | C21 | C22 | 59.6° | 74.8° |
| N18 | C19 | C21 | H211 | 175.2° | 49.6° |
| N18 | C19 | C21 | H212 | 65.7° | 164.4° |
| N18 | C19 | C28 | O30 | 179.5° | 60.4° |
| N18 | C19 | C28 | C31 | 58.7° | 61.2° |
| N18 | C19 | C28 | H28 | 61.9° | 177.3° |
| H18 | N18 | C19 | C21 | 49.3° | 58.6° |
| H18 | N18 | C19 | C28 | 68.9° | 66.9° |
| H18 | N18 | C19 | H19 | 170.3° | 175.9° |
| C21 | C19 | C28 | H19 | 122.1° | 121.8° |
| C19 | C21 | C22 | H211 | 125.2° | 124.5° |
| C19 | C21 | C22 | H212 | 125.3° | 121.8° |
| C19 | C21 | H211 | H212 | 116.8° | 117.8° |
| C19 | C21 | C22 | C23 | 58.4° | 90.0° |
| C19 | C21 | C22 | C27 | 124.6° | 89.9° |
| C21 | C19 | C28 | O30 | 62.2° | 176.9° |
| C21 | C19 | C28 | C31 | 175.9° | 61.6° |
| C21 | C19 | C28 | H28 | 55.4° | 60.0° |
| C28 | C19 | C21 | C22 | 176.4° | 161.4° |
| C28 | C19 | C21 | H211 | 58.3° | 74.2° |
| C28 | C19 | C21 | H212 | 51.2° | 40.6° |
| C19 | C28 | O30 | C31 | 120.5° | 123.3° |
| C19 | C28 | O30 | H28 | 117.6° | 118.1° |
| C19 | C28 | C31 | H28 | 120.5° | 121.4° |
| C19 | C28 | O30 | H30 | 180.0° | 79.5° |
| C19 | C28 | C31 | N32 | 173.0° | 179.2° |
| C19 | C28 | C31 | H311 | 47.8° | 60.0° |
| C19 | C28 | C31 | H312 | 61.7° | 61.9° |
| H19 | C19 | C21 | C22 | 61.5° | 40.0° |
| H19 | C19 | C21 | H211 | 63.8° | 164.4° |
| H19 | C19 | C21 | H212 | 173.2° | 80.7° |
| H19 | C19 | C28 | O30 | 59.8° | 55.1° |
| H19 | C19 | C28 | C31 | 62.0° | 176.6° |
| H19 | C19 | C28 | H28 | 177.5° | 61.9° |
| C22 | C21 | H211 | H212 | 116.8° | 115.6° |
| C21 | C22 | C23 | C27 | 177.1° | 179.9° |
| C21 | C22 | C23 | C24 | 177.7° | 180.0° |
| C21 | C22 | C23 | H23 | 2.4° | 0.0° |
| C21 | C22 | C27 | C26 | 179.0° | 180.0° |
| C21 | C22 | C27 | H27 | 1.0° | 0.1° |
| H211 | C21 | C22 | C23 | 66.9° | 145.5° |
| H211 | C21 | C22 | C27 | 110.2° | 34.6° |
| H212 | C21 | C22 | C23 | 176.4° | 31.7° |
| H212 | C21 | C22 | C27 | 0.7° | 148.3° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.6° | 0.0° |
| C22 | C23 | C24 | H24 | 179.4° | 180.0° |
| C23 | C22 | C27 | C26 | 1.9° | 0.1° |
| C23 | C22 | C27 | H27 | 178.1° | 180.0° |
| C27 | C22 | C23 | C24 | 0.5° | 0.0° |
| C27 | C22 | C23 | H23 | 179.5° | 179.9° |
| C22 | C27 | C26 | C25 | 2.0° | 0.0° |
| C22 | C27 | C26 | H27 | 180.0° | 179.9° |
| C22 | C27 | C26 | H26 | 178.0° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.5° | 0.0° |
| C23 | C24 | C25 | H25 | 179.5° | 180.0° |
| H23 | C23 | C24 | C25 | 179.4° | 180.0° |
| H23 | C23 | C24 | H24 | 0.6° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.8° | 0.0° |
| C24 | C25 | C26 | H26 | 179.2° | 180.0° |
| H24 | C24 | C25 | C26 | 179.5° | 180.0° |
| H24 | C24 | C25 | H25 | 0.5° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | H27 | 178.0° | 180.0° |
| H25 | C25 | C26 | C27 | 179.2° | 180.0° |
| H25 | C25 | C26 | H26 | 0.8° | 0.0° |
| H26 | C26 | C27 | H27 | 2.0° | 0.0° |
| O30 | C28 | C31 | H28 | 122.0° | 117.2° |
| O30 | C28 | C31 | N32 | 55.5° | 57.8° |
| O30 | C28 | C31 | H311 | 69.8° | 61.5° |
| O30 | C28 | C31 | H312 | 179.2° | 176.7° |
| C31 | C28 | O30 | H30 | 59.6° | 157.2° |
| C28 | C31 | N32 | H311 | 125.3° | 121.7° |
| C28 | C31 | N32 | H312 | 125.3° | 121.0° |
| C28 | C31 | H311 | H312 | 116.5° | 123.0° |
| C28 | C31 | N32 | C35 | 147.4° | 178.4° |
| C28 | C31 | N32 | H32 | 87.3° | 61.1° |
| H28 | C28 | O30 | H30 | 62.4° | 38.6° |
| H28 | C28 | C31 | N32 | 66.4° | 59.4° |
| H28 | C28 | C31 | H311 | 168.3° | 178.7° |
| H28 | C28 | C31 | H312 | 58.8° | 59.5° |
| N32 | C31 | H311 | H312 | 116.5° | 116.5° |
| C31 | N32 | C35 | H32 | 125.3° | 118.9° |
| C31 | N32 | C35 | C36 | 75.9° | 179.0° |
| C31 | N32 | C35 | H351 | 49.3° | 56.9° |
| C31 | N32 | C35 | H352 | 158.8° | 58.7° |
| H311 | C31 | N32 | C35 | 22.1° | 59.9° |
| H311 | C31 | N32 | H32 | 147.4° | 60.5° |
| H312 | C31 | N32 | C35 | 87.3° | 57.4° |
| H312 | C31 | N32 | H32 | 37.9° | 177.8° |
| N32 | C35 | C36 | H351 | 125.3° | 120.5° |
| N32 | C35 | C36 | H352 | 125.3° | 120.6° |
| N32 | C35 | H351 | H352 | 115.8° | 116.0° |
| N32 | C35 | C36 | C37 | 135.1° | 90.0° |
| N32 | C35 | C36 | C43 | 45.2° | 90.0° |
| H32 | N32 | C35 | C36 | 158.8° | 60.0° |
| H32 | N32 | C35 | H351 | 75.9° | 62.0° |
| H32 | N32 | C35 | H352 | 33.5° | 177.6° |
| C36 | C35 | H351 | H352 | 115.8° | 121.2° |
| C35 | C36 | C37 | C43 | 179.8° | 180.0° |
| C35 | C36 | C37 | C38 | 179.3° | 180.0° |
| C35 | C36 | C37 | H37 | 0.7° | 0.1° |
| C35 | C36 | C43 | C40 | 179.8° | 180.0° |
| C35 | C36 | C43 | H43 | 0.2° | 0.1° |
| H351 | C35 | C36 | C37 | 9.8° | 149.6° |
| H351 | C35 | C36 | C43 | 170.5° | 30.4° |
| H352 | C35 | C36 | C37 | 99.7° | 30.6° |
| H352 | C35 | C36 | C43 | 80.1° | 149.4° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.7° | 0.0° |
| C36 | C37 | C38 | H38 | 179.3° | 179.9° |
| C37 | C36 | C43 | C40 | 0.5° | 0.0° |
| C37 | C36 | C43 | H43 | 179.5° | 179.9° |
| C43 | C36 | C37 | C38 | 0.9° | 0.0° |
| C43 | C36 | C37 | H37 | 179.1° | 179.9° |
| C36 | C43 | C40 | C39 | 0.2° | 0.0° |
| C36 | C43 | C40 | O41 | 179.5° | 180.0° |
| C36 | C43 | C40 | H43 | 180.0° | 179.9° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.0° | 0.0° |
| C37 | C38 | C39 | H39 | 180.0° | 179.9° |
| H37 | C37 | C38 | C39 | 179.3° | 179.9° |
| H37 | C37 | C38 | H38 | 0.7° | 0.0° |
| C38 | C39 | C40 | H39 | 180.0° | 179.9° |
| C38 | C39 | C40 | O41 | 179.2° | 180.0° |
| C38 | C39 | C40 | C43 | 0.4° | 0.0° |
| H38 | C38 | C39 | C40 | 180.0° | 179.9° |
| H38 | C38 | C39 | H39 | 0.0° | 0.0° |
| C39 | C40 | O41 | C43 | 179.7° | 180.0° |
| C39 | C40 | O41 | C42 | 5.4° | 0.0° |
| C39 | C40 | C43 | H43 | 179.8° | 179.9° |
| H39 | C39 | C40 | O41 | 0.8° | 0.1° |
| H39 | C39 | C40 | C43 | 179.6° | 179.9° |
| C40 | O41 | C42 | H421 | 180.0° | 37.8° |
| C40 | O41 | C42 | H422 | 54.8° | 158.6° |
| C40 | O41 | C42 | H423 | 54.8° | 81.8° |
| O41 | C40 | C43 | H43 | 0.5° | 0.1° |
| C43 | C40 | O41 | C42 | 174.9° | 180.0° |
| O41 | C42 | H421 | H422 | 125.2° | 120.5° |
| O41 | C42 | H421 | H423 | 125.2° | 119.4° |
| O41 | C42 | H422 | H423 | 116.1° | 119.4° |
| H421 | C42 | H422 | H423 | 116.1° | 120.1° |
