SMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.31Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.37Å | 1.42Å | Aromatic |
| C4 | C7 | sing | 1.52Å | 1.49Å | |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C9 | sing | 1.52Å | 1.53Å | |
| C6 | N11 | sing | 1.39Å | 1.38Å | |
| C7 | S8 | sing | 1.83Å | 1.85Å | |
| S8 | C9 | sing | 1.83Å | 1.80Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| N11 | C12 | sing | 1.47Å | 1.43Å | |
| N11 | C16 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | N14 | sing | 1.47Å | 1.48Å | |
| N14 | C15 | sing | 1.47Å | 1.47Å | |
| N14 | C17 | sing | 1.35Å | 1.39Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| C17 | C19 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | N30 | sing | 1.47Å | 1.52Å | |
| C20 | C21 | sing | 1.51Å | 1.55Å | |
| C21 | C22 | doub | 1.34Å | 1.37Å | Aromatic |
| C21 | C25 | sing | 1.46Å | 1.47Å | Aromatic |
| C22 | N23 | sing | 1.37Å | 1.40Å | Aromatic |
| N23 | C24 | sing | 1.38Å | 1.36Å | Aromatic |
| C24 | C25 | doub | 1.41Å | 1.38Å | Aromatic |
| C24 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C29 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.37Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N30 | HN30 | sing | 1.01Å | 1.00Å | |
| N30 | HN3A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 119.2° | 120.3° |
| N1 | C2 | N3 | 126.2° | 121.6° |
| N1 | C2 | H2 | 116.9° | 119.2° |
| N1 | C6 | C5 | 118.9° | 119.8° |
| N1 | C6 | N11 | 119.9° | 120.1° |
| C2 | N3 | C4 | 115.6° | 121.9° |
| N3 | C2 | H2 | 116.9° | 119.3° |
| N3 | C4 | C5 | 122.2° | 118.5° |
| N3 | C4 | C7 | 121.1° | 125.8° |
| C5 | C4 | C7 | 116.6° | 115.7° |
| C4 | C5 | C6 | 117.7° | 118.0° |
| C4 | C5 | C9 | 120.8° | 115.8° |
| C4 | C7 | S8 | 100.2° | 103.5° |
| C4 | C7 | H7 | 112.7° | 110.6° |
| C4 | C7 | H7A | 112.7° | 110.6° |
| C6 | C5 | C9 | 121.3° | 126.2° |
| C5 | C6 | N11 | 121.2° | 120.1° |
| C5 | C9 | S8 | 97.8° | 103.5° |
| C5 | C9 | C10 | 121.8° | 110.6° |
| C5 | C9 | H9 | 108.1° | 110.7° |
| C6 | N11 | C12 | 124.3° | 111.0° |
| C6 | N11 | C16 | 117.0° | 111.0° |
| C7 | S8 | C9 | 103.9° | 94.5° |
| S8 | C7 | H7 | 112.7° | 110.6° |
| S8 | C7 | H7A | 112.7° | 110.6° |
| S8 | C9 | C10 | 104.3° | 110.6° |
| S8 | C9 | H9 | 124.6° | 110.6° |
| C10 | C9 | H9 | 102.0° | 110.6° |
| C9 | C10 | H10 | 109.5° | 109.4° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.4° |
| C12 | N11 | C16 | 115.1° | 111.3° |
| N11 | C12 | C13 | 107.8° | 109.4° |
| N11 | C12 | H12 | 110.0° | 109.5° |
| N11 | C12 | H12A | 110.0° | 109.5° |
| N11 | C16 | C15 | 119.9° | 109.4° |
| N11 | C16 | H16 | 106.2° | 109.5° |
| N11 | C16 | H16A | 106.1° | 109.5° |
| C12 | C13 | N14 | 117.8° | 108.6° |
| C13 | C12 | H12 | 110.0° | 109.5° |
| C13 | C12 | H12A | 110.0° | 109.5° |
| C12 | C13 | H13 | 106.8° | 109.7° |
| C12 | C13 | H13A | 106.8° | 109.7° |
| C13 | N14 | C15 | 115.8° | 118.3° |
| C13 | N14 | C17 | 119.4° | 120.9° |
| N14 | C13 | H13 | 106.8° | 109.6° |
| N14 | C13 | H13A | 106.8° | 109.6° |
| C15 | N14 | C17 | 124.6° | 120.8° |
| N14 | C15 | C16 | 116.9° | 108.5° |
| N14 | C15 | H15 | 107.1° | 109.6° |
| N14 | C15 | H15A | 107.1° | 109.6° |
| N14 | C17 | O18 | 120.7° | 120.0° |
| N14 | C17 | C19 | 128.8° | 120.0° |
| C16 | C15 | H15 | 107.1° | 109.6° |
| C16 | C15 | H15A | 107.1° | 109.6° |
| C15 | C16 | H16 | 106.1° | 109.4° |
| C15 | C16 | H16A | 106.1° | 109.5° |
| O18 | C17 | C19 | 110.4° | 120.0° |
| C17 | C19 | C20 | 110.1° | 109.5° |
| C17 | C19 | N30 | 105.3° | 109.4° |
| C17 | C19 | H19 | 114.3° | 109.5° |
| C20 | C19 | N30 | 115.9° | 109.5° |
| C19 | C20 | C21 | 122.4° | 109.4° |
| C20 | C19 | H19 | 103.3° | 109.5° |
| C19 | C20 | H20 | 105.4° | 109.4° |
| C19 | C20 | H20A | 105.4° | 109.5° |
| N30 | C19 | H19 | 108.3° | 109.5° |
| C19 | N30 | HN30 | 109.5° | 111.0° |
| C19 | N30 | HN3A | 109.5° | 111.0° |
| C20 | C21 | C22 | 124.8° | 126.5° |
| C20 | C21 | C25 | 134.2° | 126.6° |
| C21 | C20 | H20 | 105.4° | 109.4° |
| C21 | C20 | H20A | 105.4° | 109.5° |
| C22 | C21 | C25 | 100.9° | 107.0° |
| C21 | C22 | N23 | 114.8° | 109.9° |
| C21 | C22 | H22 | 122.6° | 125.0° |
| C21 | C25 | C24 | 109.5° | 106.0° |
| C21 | C25 | C29 | 132.3° | 134.0° |
| C22 | N23 | C24 | 105.2° | 109.9° |
| N23 | C22 | H22 | 122.6° | 125.1° |
| C22 | N23 | HN23 | 127.4° | 125.1° |
| N23 | C24 | C25 | 109.6° | 107.2° |
| N23 | C24 | C26 | 130.8° | 133.6° |
| C24 | N23 | HN23 | 127.5° | 125.0° |
| C25 | C24 | C26 | 119.6° | 119.3° |
| C24 | C25 | C29 | 118.2° | 120.0° |
| C24 | C26 | C27 | 123.2° | 119.8° |
| C24 | C26 | H26 | 118.4° | 120.1° |
| C25 | C29 | C28 | 122.5° | 119.8° |
| C25 | C29 | H29 | 118.8° | 120.1° |
| C26 | C27 | C28 | 117.1° | 120.6° |
| C27 | C26 | H26 | 118.4° | 120.1° |
| C26 | C27 | H27 | 121.4° | 119.7° |
| C27 | C28 | C29 | 119.4° | 120.5° |
| C28 | C27 | H27 | 121.4° | 119.7° |
| C27 | C28 | H28 | 120.3° | 119.7° |
| C29 | C28 | H28 | 120.3° | 119.8° |
| C28 | C29 | H29 | 118.8° | 120.1° |
| H7 | C7 | H7A | 106.1° | 110.7° |
| H10 | C10 | H10A | 109.4° | 109.5° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| H12 | C12 | H12A | 108.9° | 109.5° |
| H13 | C13 | H13A | 112.0° | 109.7° |
| H15 | C15 | H15A | 111.8° | 109.8° |
| H16 | C16 | H16A | 112.6° | 109.5° |
| H20 | C20 | H20A | 113.2° | 109.5° |
| HN30 | N30 | HN3A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 3.9° | 0.1° |
| C2 | N1 | C6 | C5 | 2.6° | 0.1° |
| C2 | N1 | C6 | N11 | 176.3° | 180.0° |
| C6 | N1 | C2 | N3 | 3.0° | 0.1° |
| N1 | C6 | C5 | C4 | 3.4° | 0.0° |
| N1 | C6 | C5 | N11 | 178.9° | 180.0° |
| N1 | C6 | C5 | C9 | 178.4° | 179.9° |
| N1 | C6 | N11 | C12 | 68.7° | 65.8° |
| N1 | C6 | N11 | C16 | 133.9° | 58.6° |
| C6 | N1 | C2 | H2 | 177.0° | 179.9° |
| C2 | N3 | C4 | C5 | 4.6° | 0.0° |
| C2 | N3 | C4 | C7 | 179.0° | 180.0° |
| N3 | C4 | C5 | C7 | 176.6° | 180.0° |
| N3 | C4 | C5 | C6 | 4.5° | 0.0° |
| N3 | C4 | C5 | C9 | 179.6° | 180.0° |
| N3 | C4 | C7 | S8 | 174.4° | 162.6° |
| C4 | N3 | C2 | H2 | 176.1° | 179.9° |
| N3 | C4 | C7 | H7 | 65.6° | 78.9° |
| N3 | C4 | C7 | H7A | 54.4° | 44.2° |
| C4 | C5 | C6 | C9 | 175.0° | 179.9° |
| C4 | C5 | C6 | N11 | 175.5° | 180.0° |
| C5 | C4 | C7 | S8 | 2.2° | 17.4° |
| C4 | C5 | C9 | S8 | 7.5° | 17.4° |
| C4 | C5 | C9 | C10 | 119.7° | 135.9° |
| C5 | C4 | C7 | H7 | 117.8° | 101.1° |
| C5 | C4 | C7 | H7A | 122.2° | 135.9° |
| C4 | C5 | C9 | H9 | 122.9° | 101.1° |
| C7 | C4 | C5 | C6 | 178.9° | 180.0° |
| C7 | C4 | C5 | C9 | 3.8° | 0.0° |
| C4 | C7 | S8 | H7 | 120.0° | 118.5° |
| C4 | C7 | S8 | H7A | 120.0° | 118.5° |
| C4 | C7 | S8 | C9 | 6.2° | 23.4° |
| C4 | C7 | H7 | H7A | 123.7° | 123.0° |
| C6 | C5 | C9 | S8 | 177.6° | 162.6° |
| C6 | C5 | C9 | C10 | 65.4° | 44.2° |
| C5 | C6 | N11 | C12 | 112.5° | 114.2° |
| C5 | C6 | N11 | C16 | 44.9° | 121.5° |
| C6 | C5 | C9 | H9 | 52.0° | 78.8° |
| C9 | C5 | C6 | N11 | 0.5° | 0.0° |
| C5 | C9 | S8 | C7 | 7.6° | 23.4° |
| C5 | C9 | S8 | C10 | 125.7° | 118.5° |
| C5 | C9 | S8 | H9 | 118.4° | 118.6° |
| C5 | C9 | C10 | H9 | 120.4° | 123.0° |
| C5 | C9 | C10 | H10 | 180.0° | 66.1° |
| C5 | C9 | C10 | H10A | 60.0° | 173.8° |
| C5 | C9 | C10 | H10B | 60.0° | 53.8° |
| C6 | N11 | C12 | C16 | 157.8° | 124.2° |
| C6 | N11 | C12 | C13 | 148.2° | 172.7° |
| C6 | N11 | C16 | C15 | 169.5° | 172.7° |
| C6 | N11 | C12 | H12 | 91.8° | 67.3° |
| C6 | N11 | C12 | H12A | 28.2° | 52.7° |
| C6 | N11 | C16 | H16 | 49.5° | 52.8° |
| C6 | N11 | C16 | H16A | 70.5° | 67.3° |
| C7 | S8 | C9 | C10 | 133.2° | 141.9° |
| S8 | C7 | H7 | H7A | 123.7° | 122.9° |
| C7 | S8 | C9 | H9 | 110.8° | 95.1° |
| S8 | C9 | C10 | H9 | 130.8° | 123.0° |
| C9 | S8 | C7 | H7 | 113.8° | 95.1° |
| C9 | S8 | C7 | H7A | 126.1° | 141.9° |
| S8 | C9 | C10 | H10 | 71.2° | 179.8° |
| S8 | C9 | C10 | H10A | 48.8° | 59.8° |
| S8 | C9 | C10 | H10B | 168.8° | 60.2° |
| C9 | C10 | H10 | H10A | 120.0° | 120.1° |
| C9 | C10 | H10 | H10B | 120.0° | 119.9° |
| C9 | C10 | H10A | H10B | 120.0° | 120.0° |
| N11 | C12 | C13 | H12 | 120.0° | 119.9° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | C13 | N14 | 57.4° | 53.8° |
| C12 | N11 | C16 | C15 | 31.0° | 63.1° |
| N11 | C12 | H12 | H12A | 120.7° | 120.0° |
| N11 | C12 | C13 | H13 | 177.4° | 173.5° |
| N11 | C12 | C13 | H13A | 62.6° | 65.9° |
| C12 | N11 | C16 | H16 | 151.0° | 177.0° |
| C12 | N11 | C16 | H16A | 88.9° | 56.9° |
| C16 | N11 | C12 | C13 | 54.0° | 63.1° |
| N11 | C16 | C15 | N14 | 4.8° | 53.8° |
| N11 | C16 | C15 | H16 | 120.0° | 120.0° |
| N11 | C16 | C15 | H16A | 120.0° | 120.0° |
| C16 | N11 | C12 | H12 | 66.0° | 56.9° |
| C16 | N11 | C12 | H12A | 174.0° | 176.9° |
| N11 | C16 | C15 | H15 | 124.8° | 173.5° |
| N11 | C16 | C15 | H15A | 115.2° | 65.8° |
| N11 | C16 | H16 | H16A | 115.7° | 120.1° |
| C12 | C13 | N14 | H13 | 120.0° | 119.7° |
| C12 | C13 | N14 | H13A | 120.0° | 119.8° |
| C12 | C13 | N14 | C15 | 33.1° | 51.2° |
| C12 | C13 | N14 | C17 | 151.3° | 128.8° |
| C13 | C12 | H12 | H12A | 120.7° | 120.1° |
| C12 | C13 | H13 | H13A | 116.6° | 120.5° |
| C13 | N14 | C15 | C17 | 175.4° | 179.9° |
| C13 | N14 | C15 | C16 | 6.1° | 51.1° |
| C13 | N14 | C17 | O18 | 1.8° | 0.0° |
| C13 | N14 | C17 | C19 | 177.0° | 179.9° |
| N14 | C13 | C12 | H12 | 62.6° | 66.1° |
| N14 | C13 | C12 | H12A | 177.4° | 173.8° |
| N14 | C13 | H13 | H13A | 116.6° | 120.4° |
| C13 | N14 | C15 | H15 | 126.1° | 170.8° |
| C13 | N14 | C15 | H15A | 113.9° | 68.5° |
| N14 | C15 | C16 | H15 | 120.0° | 119.7° |
| N14 | C15 | C16 | H15A | 120.0° | 119.6° |
| C15 | N14 | C17 | O18 | 177.1° | 179.9° |
| C15 | N14 | C17 | C19 | 1.7° | 0.0° |
| C15 | N14 | C13 | H13 | 153.1° | 170.9° |
| C15 | N14 | C13 | H13A | 86.9° | 68.6° |
| N14 | C15 | H15 | H15A | 116.9° | 120.5° |
| N14 | C15 | C16 | H16 | 124.8° | 173.8° |
| N14 | C15 | C16 | H16A | 115.2° | 66.2° |
| C17 | N14 | C15 | C16 | 178.5° | 128.8° |
| N14 | C17 | O18 | C19 | 179.0° | 179.9° |
| N14 | C17 | C19 | C20 | 110.1° | 80.0° |
| N14 | C17 | C19 | N30 | 124.3° | 160.0° |
| C17 | N14 | C13 | H13 | 31.3° | 9.0° |
| C17 | N14 | C13 | H13A | 88.8° | 111.4° |
| C17 | N14 | C15 | H15 | 58.5° | 9.1° |
| C17 | N14 | C15 | H15A | 61.5° | 111.5° |
| N14 | C17 | C19 | H19 | 5.6° | 40.0° |
| C16 | C15 | H15 | H15A | 117.0° | 120.5° |
| C15 | C16 | H16 | H16A | 115.7° | 120.0° |
| O18 | C17 | C19 | C20 | 70.9° | 99.9° |
| O18 | C17 | C19 | N30 | 54.6° | 20.1° |
| O18 | C17 | C19 | H19 | 173.3° | 140.0° |
| C17 | C19 | C20 | N30 | 119.3° | 119.9° |
| C17 | C19 | C20 | H19 | 122.4° | 120.0° |
| C17 | C19 | N30 | H19 | 122.6° | 120.0° |
| C17 | C19 | C20 | C21 | 69.4° | 175.0° |
| C17 | C19 | C20 | H20 | 50.6° | 55.1° |
| C17 | C19 | C20 | H20A | 170.6° | 64.9° |
| C17 | C19 | N30 | HN30 | 180.0° | 60.0° |
| C17 | C19 | N30 | HN3A | 60.0° | 63.9° |
| C20 | C19 | N30 | H19 | 115.5° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 119.9° |
| C19 | C20 | C21 | H20A | 120.0° | 120.1° |
| C19 | C20 | C21 | C22 | 164.8° | 95.0° |
| C19 | C20 | C21 | C25 | 16.5° | 84.7° |
| C19 | C20 | H20 | H20A | 114.7° | 120.0° |
| C20 | C19 | N30 | HN30 | 58.1° | 59.9° |
| C20 | C19 | N30 | HN3A | 61.9° | 176.1° |
| N30 | C19 | C20 | C21 | 171.3° | 65.1° |
| N30 | C19 | C20 | H20 | 68.7° | 175.0° |
| N30 | C19 | C20 | H20A | 51.2° | 55.0° |
| C19 | N30 | HN30 | HN3A | 120.0° | 124.0° |
| C20 | C21 | C22 | C25 | 179.1° | 179.7° |
| C20 | C21 | C22 | N23 | 178.6° | 180.0° |
| C20 | C21 | C25 | C24 | 178.5° | 179.8° |
| C20 | C21 | C25 | C29 | 1.1° | 0.0° |
| C21 | C20 | C19 | H19 | 53.0° | 54.9° |
| C21 | C20 | H20 | H20A | 114.6° | 120.1° |
| C20 | C21 | C22 | H22 | 1.4° | 0.1° |
| C21 | C22 | N23 | H22 | 180.0° | 179.9° |
| C21 | C22 | N23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C25 | C24 | 0.4° | 0.5° |
| C22 | C21 | C25 | C29 | 179.9° | 179.7° |
| C22 | C21 | C20 | H20 | 44.8° | 145.1° |
| C22 | C21 | C20 | H20A | 75.2° | 25.0° |
| C21 | C22 | N23 | HN23 | 179.7° | 179.9° |
| C25 | C21 | C22 | N23 | 0.5° | 0.3° |
| C21 | C25 | C24 | N23 | 0.3° | 0.5° |
| C21 | C25 | C24 | C29 | 179.7° | 179.8° |
| C21 | C25 | C24 | C26 | 179.9° | 179.8° |
| C21 | C25 | C29 | C28 | 179.7° | 179.0° |
| C25 | C21 | C20 | H20 | 136.5° | 35.2° |
| C25 | C21 | C20 | H20A | 103.5° | 155.3° |
| C25 | C21 | C22 | H22 | 179.5° | 179.8° |
| C21 | C25 | C29 | H29 | 0.3° | 0.0° |
| C22 | N23 | C24 | HN23 | 180.0° | 179.9° |
| C22 | N23 | C24 | C25 | 0.0° | 0.3° |
| C22 | N23 | C24 | C26 | 179.5° | 180.0° |
| N23 | C24 | C25 | C26 | 179.6° | 179.7° |
| N23 | C24 | C25 | C29 | 180.0° | 179.7° |
| N23 | C24 | C26 | C27 | 179.4° | 180.0° |
| C24 | N23 | C22 | H22 | 179.7° | 179.9° |
| N23 | C24 | C26 | H26 | 0.6° | 0.1° |
| C25 | C24 | C26 | C27 | 0.1° | 0.4° |
| C24 | C25 | C29 | C28 | 0.7° | 0.7° |
| C25 | C24 | N23 | HN23 | 180.0° | 179.8° |
| C25 | C24 | C26 | H26 | 179.9° | 179.7° |
| C24 | C25 | C29 | H29 | 179.3° | 179.8° |
| C26 | C24 | C25 | C29 | 0.4° | 0.0° |
| C24 | C26 | C27 | H26 | 180.0° | 179.9° |
| C24 | C26 | C27 | C28 | 0.3° | 0.0° |
| C26 | C24 | N23 | HN23 | 0.5° | 0.1° |
| C24 | C26 | C27 | H27 | 179.7° | 179.9° |
| C25 | C29 | C28 | C27 | 0.5° | 1.1° |
| C25 | C29 | C28 | H29 | 180.0° | 179.0° |
| C25 | C29 | C28 | H28 | 179.5° | 179.6° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.7° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.3° |
| C28 | C27 | C26 | H26 | 179.7° | 179.9° |
| C27 | C28 | C29 | H29 | 179.6° | 179.9° |
| C29 | C28 | C27 | H27 | 180.0° | 179.3° |
| H9 | C9 | C10 | H10 | 59.6° | 56.9° |
| H9 | C9 | C10 | H10A | 179.6° | 63.2° |
| H9 | C9 | C10 | H10B | 60.3° | 176.9° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 57.4° | 53.6° |
| H12 | C12 | C13 | H13A | 177.4° | 174.1° |
| H12A | C12 | C13 | H13 | 62.6° | 66.5° |
| H12A | C12 | C13 | H13A | 57.4° | 54.1° |
| H15 | C15 | C16 | H16 | 115.2° | 66.5° |
| H15 | C15 | C16 | H16A | 4.8° | 53.5° |
| H15A | C15 | C16 | H16 | 4.8° | 54.1° |
| H15A | C15 | C16 | H16A | 124.8° | 174.2° |
| H19 | C19 | C20 | H20 | 173.0° | 64.9° |
| H19 | C19 | C20 | H20A | 67.0° | 175.0° |
| H19 | C19 | N30 | HN30 | 57.4° | 180.0° |
| H19 | C19 | N30 | HN3A | 177.4° | 56.0° |
| H22 | C22 | N23 | HN23 | 0.3° | 0.0° |
| H26 | C26 | C27 | H27 | 0.3° | 0.0° |
| H27 | C27 | C28 | H28 | 0.0° | 0.0° |
| H28 | C28 | C29 | H29 | 0.5° | 0.6° |
