A1C5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | C2 | sing | 1.53Å | 1.53Å | |
| C41 | C40 | sing | 1.53Å | 1.50Å | |
| C41 | C42 | sing | 1.53Å | 1.51Å | |
| C40 | O39 | sing | 1.43Å | 1.44Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | N4 | sing | 1.47Å | 1.49Å | |
| O39 | C38 | sing | 1.43Å | 1.42Å | |
| O9 | C8 | doub | 1.22Å | 1.22Å | |
| C38 | C43 | sing | 1.53Å | 1.51Å | |
| C38 | N37 | sing | 1.47Å | 1.46Å | |
| C8 | N4 | sing | 1.34Å | 1.37Å | |
| C8 | N7 | sing | 1.34Å | 1.38Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| N37 | C12 | sing | 1.37Å | 1.38Å | Aromatic |
| N37 | C36 | sing | 1.36Å | 1.37Å | Aromatic |
| N7 | C10 | sing | 1.40Å | 1.41Å | |
| N7 | C6 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | N34 | doub | 1.33Å | 1.34Å | Aromatic |
| C36 | N35 | doub | 1.30Å | 1.31Å | Aromatic |
| C13 | N35 | sing | 1.36Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| N34 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | N15 | sing | 1.39Å | 1.36Å | |
| N15 | C16 | sing | 1.40Å | 1.39Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | N23 | sing | 1.47Å | 1.46Å | |
| C20 | C24 | sing | 1.48Å | 1.48Å | |
| N23 | C24 | sing | 1.34Å | 1.36Å | |
| N23 | C26 | sing | 1.47Å | 1.46Å | |
| C24 | O25 | doub | 1.22Å | 1.22Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | C31 | sing | 1.51Å | 1.51Å | |
| O32 | C31 | doub | 1.21Å | 1.23Å | |
| C31 | N30 | sing | 1.34Å | 1.36Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| N30 | C29 | sing | 1.34Å | 1.37Å | |
| C29 | O33 | doub | 1.21Å | 1.23Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C3 | H3C | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | H42B | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44C | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | C2 | C3 | 109.5° | 109.5° |
| C44 | C2 | C1 | 109.4° | 109.5° |
| C44 | C2 | N4 | 109.7° | 109.5° |
| C2 | C44 | H44A | 109.5° | 109.5° |
| C2 | C44 | H44C | 109.5° | 109.5° |
| C2 | C44 | H44B | 109.5° | 109.5° |
| C40 | C41 | C42 | 109.3° | 109.1° |
| C41 | C40 | O39 | 111.4° | 109.4° |
| C41 | C40 | H40A | 109.0° | 109.5° |
| C41 | C40 | H40B | 109.0° | 109.5° |
| C40 | C41 | H41B | 109.5° | 109.5° |
| C40 | C41 | H41A | 109.5° | 109.6° |
| C41 | C42 | C43 | 110.3° | 109.0° |
| C42 | C41 | H41B | 109.5° | 109.5° |
| C42 | C41 | H41A | 109.5° | 109.6° |
| C41 | C42 | H42B | 109.3° | 109.6° |
| C41 | C42 | H42A | 109.3° | 109.5° |
| C40 | O39 | C38 | 112.4° | 114.1° |
| O39 | C40 | H40A | 109.0° | 109.5° |
| O39 | C40 | H40B | 109.0° | 109.5° |
| C42 | C43 | C38 | 109.2° | 109.1° |
| C43 | C42 | H42B | 109.3° | 109.6° |
| C43 | C42 | H42A | 109.2° | 109.5° |
| C42 | C43 | H43A | 109.5° | 109.5° |
| C42 | C43 | H43B | 109.5° | 109.5° |
| C3 | C2 | C1 | 109.3° | 109.5° |
| C3 | C2 | N4 | 109.3° | 109.5° |
| C2 | C3 | H3C | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C1 | C2 | N4 | 109.7° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C2 | N4 | C8 | 122.8° | 125.4° |
| C2 | N4 | C5 | 121.0° | 125.4° |
| O39 | C38 | C43 | 111.9° | 109.4° |
| O39 | C38 | N37 | 106.2° | 109.5° |
| O39 | C38 | H38 | 109.4° | 109.5° |
| O9 | C8 | N4 | 125.9° | 123.1° |
| O9 | C8 | N7 | 127.0° | 123.0° |
| C43 | C38 | N37 | 112.0° | 109.4° |
| C43 | C38 | H38 | 108.3° | 109.5° |
| C38 | C43 | H43A | 109.5° | 109.6° |
| C38 | C43 | H43B | 109.6° | 109.5° |
| C38 | N37 | C12 | 125.9° | 126.4° |
| C38 | N37 | C36 | 128.0° | 126.3° |
| N37 | C38 | H38 | 109.0° | 109.5° |
| N4 | C8 | N7 | 107.1° | 113.9° |
| C8 | N4 | C5 | 110.8° | 109.2° |
| C8 | N7 | C10 | 126.4° | 125.4° |
| C8 | N7 | C6 | 112.0° | 109.2° |
| N4 | C5 | C6 | 102.8° | 103.9° |
| N4 | C5 | H5B | 111.1° | 110.5° |
| N4 | C5 | H5A | 111.1° | 110.7° |
| C12 | C11 | C10 | 115.1° | 118.9° |
| C11 | C12 | N37 | 132.1° | 135.1° |
| C11 | C12 | C13 | 122.8° | 118.7° |
| C12 | C11 | H11 | 122.4° | 120.5° |
| C11 | C10 | N7 | 123.0° | 119.4° |
| C11 | C10 | N34 | 123.2° | 121.2° |
| C10 | C11 | H11 | 122.5° | 120.5° |
| C5 | C6 | N7 | 103.0° | 103.9° |
| C6 | C5 | H5B | 111.1° | 110.5° |
| C6 | C5 | H5A | 111.1° | 110.6° |
| C5 | C6 | H6B | 111.0° | 110.5° |
| C5 | C6 | H6A | 111.1° | 110.6° |
| C12 | N37 | C36 | 106.0° | 107.3° |
| N37 | C12 | C13 | 105.1° | 106.2° |
| N37 | C36 | N35 | 114.2° | 110.1° |
| N37 | C36 | H36 | 122.9° | 125.0° |
| C10 | N7 | C6 | 121.6° | 125.4° |
| N7 | C10 | N34 | 113.8° | 119.4° |
| N7 | C6 | H6B | 111.1° | 110.5° |
| N7 | C6 | H6A | 111.1° | 110.7° |
| C12 | C13 | N35 | 110.7° | 106.9° |
| C12 | C13 | C14 | 117.7° | 118.8° |
| C10 | N34 | C14 | 121.9° | 122.2° |
| C36 | N35 | C13 | 104.0° | 109.5° |
| N35 | C36 | H36 | 122.9° | 124.9° |
| N35 | C13 | C14 | 131.6° | 134.3° |
| C13 | C14 | N34 | 119.4° | 120.2° |
| C13 | C14 | N15 | 120.2° | 119.9° |
| N34 | C14 | N15 | 120.3° | 119.9° |
| C14 | N15 | C16 | 132.5° | 120.0° |
| C14 | N15 | H15 | 113.7° | 120.0° |
| N15 | C16 | C17 | 122.5° | 120.1° |
| N15 | C16 | C21 | 118.1° | 120.1° |
| C16 | N15 | H15 | 113.8° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.1° |
| C17 | C16 | C21 | 119.4° | 119.8° |
| C16 | C17 | H17 | 120.1° | 120.0° |
| C17 | C18 | C19 | 121.0° | 120.4° |
| C18 | C17 | H17 | 120.1° | 120.0° |
| C17 | C18 | H18 | 119.5° | 119.8° |
| C16 | C21 | C22 | 129.7° | 133.3° |
| C16 | C21 | C20 | 120.5° | 120.3° |
| C18 | C19 | C20 | 118.8° | 120.0° |
| C19 | C18 | H18 | 119.5° | 119.8° |
| C18 | C19 | H19 | 120.6° | 120.0° |
| C22 | C21 | C20 | 109.8° | 106.5° |
| C21 | C22 | N23 | 101.8° | 106.3° |
| C21 | C22 | H22A | 111.4° | 110.1° |
| C21 | C22 | H22B | 111.4° | 110.1° |
| C21 | C20 | C19 | 120.6° | 119.4° |
| C21 | C20 | C24 | 108.6° | 108.2° |
| C19 | C20 | C24 | 130.8° | 132.4° |
| C20 | C19 | H19 | 120.6° | 120.0° |
| C22 | N23 | C24 | 113.5° | 108.7° |
| C22 | N23 | C26 | 123.9° | 125.7° |
| N23 | C22 | H22A | 111.4° | 110.1° |
| N23 | C22 | H22B | 111.4° | 110.1° |
| C20 | C24 | N23 | 106.3° | 110.3° |
| C20 | C24 | O25 | 128.4° | 124.8° |
| C24 | N23 | C26 | 122.6° | 125.6° |
| N23 | C24 | O25 | 125.3° | 124.9° |
| N23 | C26 | C27 | 114.2° | 109.6° |
| N23 | C26 | C31 | 110.2° | 109.5° |
| N23 | C26 | H26 | 107.5° | 109.5° |
| C26 | C27 | C28 | 109.8° | 108.6° |
| C27 | C26 | C31 | 111.0° | 109.2° |
| C27 | C26 | H26 | 106.7° | 109.5° |
| C26 | C27 | H27A | 109.4° | 109.6° |
| C26 | C27 | H27B | 109.4° | 109.6° |
| C27 | C28 | C29 | 114.2° | 109.2° |
| C27 | C28 | H28B | 108.3° | 109.5° |
| C27 | C28 | H28A | 108.3° | 109.6° |
| C28 | C27 | H27A | 109.4° | 109.7° |
| C28 | C27 | H27B | 109.4° | 109.6° |
| C26 | C31 | O32 | 121.8° | 119.4° |
| C26 | C31 | N30 | 116.4° | 121.3° |
| C31 | C26 | H26 | 106.8° | 109.5° |
| O32 | C31 | N30 | 121.8° | 119.4° |
| C31 | N30 | C29 | 126.8° | 122.6° |
| C31 | N30 | H30 | 116.6° | 118.7° |
| C28 | C29 | N30 | 117.1° | 121.3° |
| C28 | C29 | O33 | 122.5° | 119.4° |
| C29 | C28 | H28B | 108.3° | 109.5° |
| C29 | C28 | H28A | 108.3° | 109.5° |
| N30 | C29 | O33 | 120.4° | 119.3° |
| C29 | N30 | H30 | 116.6° | 118.8° |
| H5B | C5 | H5A | 109.5° | 110.5° |
| H6B | C6 | H6A | 109.5° | 110.4° |
| H22A | C22 | H22B | 109.5° | 110.1° |
| H28B | C28 | H28A | 109.5° | 109.5° |
| H1C | C1 | H1A | 109.4° | 109.5° |
| H1C | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.4° | 109.8° |
| H3C | C3 | H3B | 109.5° | 109.5° |
| H3C | C3 | H3A | 109.5° | 109.5° |
| H3B | C3 | H3A | 109.4° | 109.4° |
| H40A | C40 | H40B | 109.5° | 109.5° |
| H41B | C41 | H41A | 109.5° | 109.6° |
| H42B | C42 | H42A | 109.5° | 109.6° |
| H43A | C43 | H43B | 109.5° | 109.6° |
| H44A | C44 | H44C | 109.4° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.5° |
| H44C | C44 | H44B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | C2 | C3 | C1 | 119.8° | 120.0° |
| C44 | C2 | C3 | N4 | 120.1° | 120.0° |
| C44 | C2 | C1 | N4 | 120.3° | 120.0° |
| C44 | C2 | N4 | C8 | 54.4° | 120.0° |
| C44 | C2 | N4 | C5 | 97.3° | 60.0° |
| C44 | C2 | C1 | H1C | 180.0° | 180.0° |
| C44 | C2 | C1 | H1A | 60.0° | 60.0° |
| C44 | C2 | C1 | H1B | 60.0° | 60.0° |
| C44 | C2 | C3 | H3C | 180.0° | 60.0° |
| C44 | C2 | C3 | H3B | 60.0° | 60.0° |
| C44 | C2 | C3 | H3A | 60.0° | 180.0° |
| C2 | C44 | H44A | H44C | 120.0° | 120.0° |
| C2 | C44 | H44A | H44B | 120.0° | 120.1° |
| C2 | C44 | H44C | H44B | 120.0° | 120.0° |
| C40 | C41 | C42 | H41B | 119.9° | 119.8° |
| C40 | C41 | C42 | H41A | 119.9° | 120.0° |
| C41 | C40 | O39 | H40A | 120.3° | 120.0° |
| C41 | C40 | O39 | H40B | 120.3° | 120.0° |
| C40 | C41 | C42 | C43 | 26.5° | 57.0° |
| C41 | C40 | O39 | C38 | 37.2° | 61.2° |
| C41 | C40 | H40A | H40B | 119.1° | 120.1° |
| C40 | C41 | H41B | H41A | 120.1° | 120.2° |
| C40 | C41 | C42 | H42B | 146.6° | 62.9° |
| C40 | C41 | C42 | H42A | 93.6° | 176.9° |
| C42 | C41 | C40 | O39 | 67.0° | 57.6° |
| C41 | C42 | C43 | H42B | 120.2° | 119.9° |
| C41 | C42 | C43 | H42A | 120.1° | 119.8° |
| C41 | C42 | C43 | C38 | 33.9° | 57.0° |
| C42 | C41 | C40 | H40A | 53.3° | 177.6° |
| C42 | C41 | C40 | H40B | 172.7° | 62.4° |
| C42 | C41 | H41B | H41A | 120.1° | 120.2° |
| C41 | C42 | H42B | H42A | 119.6° | 120.2° |
| C41 | C42 | C43 | H43A | 153.9° | 62.9° |
| C41 | C42 | C43 | H43B | 86.0° | 176.9° |
| C40 | O39 | C38 | C43 | 27.4° | 61.2° |
| C40 | O39 | C38 | N37 | 149.9° | 178.9° |
| C40 | O39 | C38 | H38 | 92.7° | 58.8° |
| O39 | C40 | H40A | H40B | 119.1° | 120.0° |
| O39 | C40 | C41 | H41B | 53.0° | 177.4° |
| O39 | C40 | C41 | H41A | 173.1° | 62.4° |
| C42 | C43 | C38 | O39 | 65.9° | 57.6° |
| C42 | C43 | C38 | H43A | 119.9° | 119.9° |
| C42 | C43 | C38 | H43B | 120.0° | 119.9° |
| C42 | C43 | C38 | N37 | 175.1° | 177.6° |
| C42 | C43 | C38 | H38 | 54.9° | 62.4° |
| C43 | C42 | C41 | H41B | 93.5° | 176.9° |
| C43 | C42 | C41 | H41A | 146.4° | 62.9° |
| C43 | C42 | H42B | H42A | 119.6° | 120.2° |
| C42 | C43 | H43A | H43B | 120.1° | 120.1° |
| C3 | C2 | C1 | N4 | 119.8° | 120.0° |
| C3 | C2 | N4 | C8 | 65.6° | 0.0° |
| C3 | C2 | N4 | C5 | 142.7° | 179.9° |
| C3 | C2 | C1 | H1C | 60.1° | 60.0° |
| C3 | C2 | C1 | H1A | 179.9° | 180.0° |
| C3 | C2 | C1 | H1B | 59.9° | 60.0° |
| C2 | C3 | H3C | H3B | 120.0° | 120.0° |
| C2 | C3 | H3C | H3A | 120.0° | 120.0° |
| C2 | C3 | H3B | H3A | 120.0° | 120.0° |
| C3 | C2 | C44 | H44A | 180.0° | 60.0° |
| C3 | C2 | C44 | H44C | 60.0° | 180.0° |
| C3 | C2 | C44 | H44B | 60.0° | 60.0° |
| C1 | C2 | N4 | C8 | 174.5° | 120.0° |
| C1 | C2 | N4 | C5 | 22.9° | 60.1° |
| C2 | C1 | H1C | H1A | 120.0° | 120.0° |
| C2 | C1 | H1C | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3C | 60.2° | 60.0° |
| C1 | C2 | C3 | H3B | 59.8° | 180.0° |
| C1 | C2 | C3 | H3A | 179.8° | 60.0° |
| C1 | C2 | C44 | H44A | 60.2° | 60.0° |
| C1 | C2 | C44 | H44C | 179.8° | 60.0° |
| C1 | C2 | C44 | H44B | 59.8° | 180.0° |
| C2 | N4 | C8 | O9 | 7.5° | 0.0° |
| C2 | N4 | C8 | C5 | 154.2° | 180.0° |
| C2 | N4 | C8 | N7 | 172.7° | 180.0° |
| C2 | N4 | C5 | C6 | 176.6° | 180.0° |
| C2 | N4 | C5 | H5B | 57.6° | 61.5° |
| C2 | N4 | C5 | H5A | 64.5° | 61.3° |
| N4 | C2 | C1 | H1C | 59.7° | 60.0° |
| N4 | C2 | C1 | H1A | 60.3° | 60.0° |
| N4 | C2 | C1 | H1B | 179.7° | 180.0° |
| N4 | C2 | C3 | H3C | 59.9° | 180.0° |
| N4 | C2 | C3 | H3B | 179.9° | 60.0° |
| N4 | C2 | C3 | H3A | 60.1° | 60.0° |
| N4 | C2 | C44 | H44A | 60.1° | 180.0° |
| N4 | C2 | C44 | H44C | 59.9° | 60.0° |
| N4 | C2 | C44 | H44B | 179.9° | 60.0° |
| O39 | C38 | C43 | N37 | 119.1° | 120.0° |
| O39 | C38 | C43 | H38 | 120.7° | 120.0° |
| O39 | C38 | N37 | H38 | 117.8° | 120.1° |
| O39 | C38 | N37 | C12 | 128.8° | 155.0° |
| O39 | C38 | N37 | C36 | 54.1° | 24.9° |
| C38 | O39 | C40 | H40A | 83.1° | 178.9° |
| C38 | O39 | C40 | H40B | 157.5° | 58.8° |
| O39 | C38 | C43 | H43A | 174.2° | 62.3° |
| O39 | C38 | C43 | H43B | 54.1° | 177.5° |
| O9 | C8 | N4 | N7 | 179.8° | 180.0° |
| O9 | C8 | N4 | C5 | 161.8° | 180.0° |
| O9 | C8 | N7 | C10 | 9.7° | 0.1° |
| O9 | C8 | N7 | C6 | 173.2° | 180.0° |
| C43 | C38 | N37 | H38 | 119.8° | 120.0° |
| C43 | C38 | N37 | C12 | 108.8° | 85.1° |
| C43 | C38 | N37 | C36 | 68.3° | 95.0° |
| C38 | C43 | C42 | H42B | 86.2° | 62.9° |
| C38 | C43 | C42 | H42A | 154.1° | 176.9° |
| C38 | C43 | H43A | H43B | 120.1° | 120.2° |
| C38 | N37 | C12 | C11 | 2.7° | 0.1° |
| C38 | N37 | C12 | C36 | 177.6° | 179.9° |
| C38 | N37 | C12 | C13 | 177.5° | 180.0° |
| C38 | N37 | C36 | N35 | 177.5° | 180.0° |
| C38 | N37 | C36 | H36 | 2.6° | 0.1° |
| N37 | C38 | C43 | H43A | 55.1° | 57.7° |
| N37 | C38 | C43 | H43B | 64.9° | 62.5° |
| C8 | N4 | C5 | C6 | 21.8° | 0.1° |
| N4 | C8 | N7 | C10 | 170.1° | 180.0° |
| N4 | C8 | N7 | C6 | 7.1° | 0.0° |
| C8 | N4 | C5 | H5B | 97.1° | 118.6° |
| C8 | N4 | C5 | H5A | 140.7° | 118.7° |
| N7 | C8 | N4 | C5 | 18.5° | 0.1° |
| C8 | N7 | C10 | C11 | 7.9° | 0.2° |
| C8 | N7 | C6 | C5 | 6.3° | 0.0° |
| C8 | N7 | C10 | C6 | 176.9° | 179.9° |
| C8 | N7 | C10 | N34 | 170.9° | 179.6° |
| C8 | N7 | C6 | H6B | 125.2° | 118.6° |
| C8 | N7 | C6 | H6A | 112.7° | 118.7° |
| N4 | C5 | C6 | H5B | 118.9° | 118.5° |
| N4 | C5 | C6 | H5A | 118.9° | 118.8° |
| N4 | C5 | C6 | N7 | 16.0° | 0.0° |
| N4 | C5 | H5B | H5A | 123.1° | 122.9° |
| N4 | C5 | C6 | H6B | 134.9° | 118.6° |
| N4 | C5 | C6 | H6A | 103.0° | 118.7° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | C12 | N37 | C13 | 179.8° | 179.9° |
| C11 | C12 | N37 | C36 | 179.6° | 180.0° |
| C12 | C11 | C10 | N7 | 178.9° | 179.7° |
| C12 | C11 | C10 | N34 | 0.2° | 0.1° |
| C11 | C12 | C13 | N35 | 179.7° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C10 | C11 | C12 | N37 | 179.8° | 179.9° |
| C11 | C10 | N7 | N34 | 178.9° | 179.8° |
| C11 | C10 | N7 | C6 | 175.2° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | N34 | C14 | 0.1° | 0.0° |
| C5 | C6 | N7 | C10 | 176.4° | 179.9° |
| C5 | C6 | N7 | H6B | 118.9° | 118.6° |
| C5 | C6 | N7 | H6A | 119.0° | 118.7° |
| C6 | C5 | H5B | H5A | 123.1° | 122.7° |
| C5 | C6 | H6B | H6A | 123.0° | 122.7° |
| C12 | N37 | C36 | N35 | 0.1° | 0.1° |
| N37 | C12 | C13 | N35 | 0.1° | 0.0° |
| N37 | C12 | C13 | C14 | 179.7° | 179.9° |
| N37 | C12 | C11 | H11 | 0.2° | 0.0° |
| C12 | N37 | C36 | H36 | 179.9° | 180.0° |
| C12 | N37 | C38 | H38 | 11.0° | 34.9° |
| C36 | N37 | C12 | C13 | 0.1° | 0.0° |
| N37 | C36 | N35 | H36 | 180.0° | 180.0° |
| N37 | C36 | N35 | C13 | 0.0° | 0.0° |
| C36 | N37 | C38 | H38 | 171.9° | 145.0° |
| N7 | C10 | N34 | C14 | 178.8° | 179.7° |
| C10 | N7 | C6 | H6B | 57.5° | 61.4° |
| C10 | N7 | C6 | H6A | 64.7° | 61.3° |
| N7 | C10 | C11 | H11 | 1.1° | 0.3° |
| C6 | N7 | C10 | N34 | 6.0° | 0.4° |
| N7 | C6 | C5 | H5B | 103.0° | 118.6° |
| N7 | C6 | C5 | H5A | 134.9° | 118.8° |
| N7 | C6 | H6B | H6A | 123.0° | 122.9° |
| C12 | C13 | N35 | C36 | 0.1° | 0.0° |
| C12 | C13 | N35 | C14 | 179.8° | 179.9° |
| C12 | C13 | C14 | N34 | 0.7° | 0.0° |
| C12 | C13 | C14 | N15 | 176.9° | 180.0° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C10 | N34 | C14 | C13 | 0.5° | 0.0° |
| C10 | N34 | C14 | N15 | 177.1° | 180.0° |
| N34 | C10 | C11 | H11 | 179.8° | 179.9° |
| C36 | N35 | C13 | C14 | 179.7° | 179.9° |
| N35 | C13 | C14 | N34 | 179.5° | 179.9° |
| N35 | C13 | C14 | N15 | 2.9° | 0.1° |
| C13 | N35 | C36 | H36 | 179.9° | 180.0° |
| C13 | C14 | N34 | N15 | 177.6° | 180.0° |
| C13 | C14 | N15 | C16 | 176.5° | 174.1° |
| C13 | C14 | N15 | H15 | 3.5° | 5.9° |
| N34 | C14 | N15 | C16 | 1.1° | 5.9° |
| N34 | C14 | N15 | H15 | 178.9° | 174.2° |
| C14 | N15 | C16 | H15 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 54.8° | 31.5° |
| C14 | N15 | C16 | C21 | 125.4° | 148.5° |
| N15 | C16 | C17 | C21 | 179.8° | 179.9° |
| N15 | C16 | C17 | C18 | 179.7° | 180.0° |
| N15 | C16 | C21 | C22 | 0.7° | 0.1° |
| N15 | C16 | C21 | C20 | 179.8° | 180.0° |
| N15 | C16 | C17 | H17 | 0.3° | 0.3° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C21 | C22 | 179.4° | 180.0° |
| C17 | C16 | C21 | C20 | 0.0° | 0.1° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C16 | N15 | H15 | 125.2° | 148.5° |
| C18 | C17 | C16 | C21 | 0.1° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C16 | C21 | C22 | C20 | 179.5° | 179.9° |
| C16 | C21 | C20 | C19 | 0.0° | 0.1° |
| C16 | C21 | C22 | N23 | 179.5° | 180.0° |
| C16 | C21 | C20 | C24 | 179.5° | 180.0° |
| C21 | C16 | C17 | H17 | 179.9° | 179.8° |
| C16 | C21 | C22 | H22A | 60.7° | 60.8° |
| C16 | C21 | C22 | H22B | 61.8° | 60.8° |
| C21 | C16 | N15 | H15 | 54.6° | 31.6° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C24 | 179.4° | 179.9° |
| C19 | C18 | C17 | H17 | 179.9° | 179.7° |
| C22 | C21 | C20 | C19 | 179.6° | 180.0° |
| C21 | C22 | N23 | H22A | 118.8° | 119.2° |
| C21 | C22 | N23 | H22B | 118.8° | 119.3° |
| C22 | C21 | C20 | C24 | 0.1° | 0.1° |
| C21 | C22 | N23 | C24 | 0.0° | 0.1° |
| C21 | C22 | N23 | C26 | 179.7° | 180.0° |
| C21 | C22 | H22A | H22B | 123.6° | 121.6° |
| C21 | C20 | C19 | C24 | 179.4° | 179.9° |
| C20 | C21 | C22 | N23 | 0.1° | 0.1° |
| C21 | C20 | C24 | N23 | 0.0° | 0.0° |
| C21 | C20 | C24 | O25 | 179.9° | 179.9° |
| C20 | C21 | C22 | H22A | 118.8° | 119.3° |
| C20 | C21 | C22 | H22B | 118.7° | 119.2° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C19 | C20 | C24 | N23 | 179.5° | 179.9° |
| C19 | C20 | C24 | O25 | 0.6° | 0.0° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C22 | N23 | C24 | C20 | 0.0° | 0.0° |
| C22 | N23 | C24 | C26 | 179.7° | 179.9° |
| C22 | N23 | C24 | O25 | 179.9° | 180.0° |
| C22 | N23 | C26 | C27 | 40.1° | 120.2° |
| C22 | N23 | C26 | C31 | 85.7° | 120.0° |
| N23 | C22 | H22A | H22B | 123.6° | 121.6° |
| C22 | N23 | C26 | H26 | 158.2° | 0.0° |
| C20 | C24 | N23 | O25 | 179.9° | 180.0° |
| C20 | C24 | N23 | C26 | 179.7° | 180.0° |
| C24 | C20 | C19 | H19 | 0.6° | 0.1° |
| C24 | N23 | C26 | C27 | 140.3° | 59.7° |
| C24 | N23 | C26 | C31 | 93.9° | 60.1° |
| C24 | N23 | C22 | H22A | 118.8° | 119.2° |
| C24 | N23 | C22 | H22B | 118.7° | 119.2° |
| C24 | N23 | C26 | H26 | 22.1° | 179.9° |
| C26 | N23 | C24 | O25 | 0.2° | 0.1° |
| N23 | C26 | C27 | C31 | 125.3° | 120.0° |
| N23 | C26 | C27 | H26 | 118.7° | 120.2° |
| N23 | C26 | C27 | C28 | 179.4° | 175.6° |
| N23 | C26 | C31 | H26 | 116.5° | 120.0° |
| N23 | C26 | C31 | O32 | 21.1° | 30.8° |
| N23 | C26 | C31 | N30 | 158.5° | 149.1° |
| C26 | N23 | C22 | H22A | 61.5° | 60.8° |
| C26 | N23 | C22 | H22B | 61.0° | 60.7° |
| N23 | C26 | C27 | H27A | 59.3° | 64.6° |
| N23 | C26 | C27 | H27B | 60.6° | 55.9° |
| C26 | C27 | C28 | H27A | 120.1° | 119.7° |
| C26 | C27 | C28 | H27B | 120.1° | 119.7° |
| C27 | C26 | C31 | H26 | 115.9° | 119.9° |
| C27 | C26 | C31 | O32 | 148.6° | 150.9° |
| C27 | C26 | C31 | N30 | 31.0° | 29.1° |
| C26 | C27 | C28 | C29 | 45.9° | 55.6° |
| C26 | C27 | C28 | H28B | 74.8° | 64.3° |
| C26 | C27 | C28 | H28A | 166.6° | 175.6° |
| C26 | C27 | H27A | H27B | 119.9° | 120.4° |
| C28 | C27 | C26 | C31 | 55.3° | 55.6° |
| C27 | C28 | C29 | H28B | 120.7° | 119.9° |
| C27 | C28 | C29 | H28A | 120.7° | 120.1° |
| C27 | C28 | C29 | N30 | 11.2° | 29.0° |
| C27 | C28 | C29 | O33 | 168.4° | 151.0° |
| C28 | C27 | C26 | H26 | 60.7° | 64.3° |
| C27 | C28 | H28B | H28A | 117.8° | 120.2° |
| C28 | C27 | H27A | H27B | 119.8° | 120.5° |
| C26 | C31 | O32 | N30 | 179.6° | 180.0° |
| C26 | C31 | N30 | C29 | 6.4° | 0.5° |
| C31 | C26 | C27 | H27A | 175.4° | 175.4° |
| C31 | C26 | C27 | H27B | 64.7° | 64.1° |
| C26 | C31 | N30 | H30 | 173.6° | 179.4° |
| O32 | C31 | N30 | C29 | 174.0° | 179.5° |
| O32 | C31 | C26 | H26 | 95.4° | 89.2° |
| O32 | C31 | N30 | H30 | 6.0° | 0.6° |
| C31 | N30 | C29 | C28 | 17.0° | 0.5° |
| C31 | N30 | C29 | H30 | 180.0° | 179.9° |
| C31 | N30 | C29 | O33 | 163.3° | 179.5° |
| N30 | C31 | C26 | H26 | 85.0° | 90.9° |
| C28 | C29 | N30 | O33 | 179.7° | 180.0° |
| C29 | C28 | H28B | H28A | 117.9° | 120.1° |
| C29 | C28 | C27 | H27A | 166.0° | 175.3° |
| C29 | C28 | C27 | H27B | 74.1° | 64.1° |
| C28 | C29 | N30 | H30 | 163.0° | 179.5° |
| N30 | C29 | C28 | H28B | 109.5° | 90.9° |
| N30 | C29 | C28 | H28A | 131.9° | 149.1° |
| O33 | C29 | C28 | H28B | 70.9° | 89.2° |
| O33 | C29 | C28 | H28A | 47.7° | 30.9° |
| O33 | C29 | N30 | H30 | 16.7° | 0.6° |
| H5B | C5 | C6 | H6B | 16.0° | 122.8° |
| H5B | C5 | C6 | H6A | 138.1° | 0.2° |
| H5A | C5 | C6 | H6B | 106.1° | 0.2° |
| H5A | C5 | C6 | H6A | 16.0° | 122.4° |
| H17 | C17 | C18 | H18 | 0.1° | 0.3° |
| H26 | C26 | C27 | H27A | 59.3° | 55.5° |
| H26 | C26 | C27 | H27B | 179.2° | 176.0° |
| H28B | C28 | C27 | H27A | 45.3° | 55.4° |
| H28B | C28 | C27 | H27B | 165.2° | 176.0° |
| H28A | C28 | C27 | H27A | 73.3° | 64.7° |
| H28A | C28 | C27 | H27B | 46.6° | 55.9° |
| H1C | C1 | H1A | H1B | 120.0° | 120.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
| H3C | C3 | H3B | H3A | 120.0° | 120.0° |
| H38 | C38 | C43 | H43A | 65.1° | 177.7° |
| H38 | C38 | C43 | H43B | 174.8° | 57.4° |
| H40A | C40 | C41 | H41B | 173.3° | 62.6° |
| H40A | C40 | C41 | H41A | 66.6° | 57.6° |
| H40B | C40 | C41 | H41B | 67.3° | 57.5° |
| H40B | C40 | C41 | H41A | 52.8° | 177.7° |
| H41B | C41 | C42 | H42B | 26.7° | 57.0° |
| H41B | C41 | C42 | H42A | 146.4° | 63.3° |
| H41A | C41 | C42 | H42B | 93.4° | 177.2° |
| H41A | C41 | C42 | H42A | 26.3° | 56.9° |
| H42B | C42 | C43 | H43A | 33.7° | 177.2° |
| H42B | C42 | C43 | H43B | 153.8° | 57.0° |
| H42A | C42 | C43 | H43A | 86.0° | 56.9° |
| H42A | C42 | C43 | H43B | 34.1° | 63.3° |
| H44A | C44 | H44C | H44B | 120.0° | 120.0° |
