Q2Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | C6 | sing | 1.36Å | 1.25Å | |
| O36 | H36 | sing | 0.98Å | 0.95Å | |
| C6 | O35 | doub | 1.22Å | 1.25Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C27 | sing | 1.52Å | 1.53Å | |
| C7 | H71 | sing | 1.10Å | 1.12Å | |
| C7 | H72 | sing | 1.10Å | 1.12Å | |
| C27 | C18 | sing | 1.52Å | 1.51Å | |
| C27 | N5 | sing | 1.44Å | 1.46Å | |
| C27 | H27 | sing | 1.09Å | 1.12Å | |
| C18 | O32 | doub | 1.23Å | 1.22Å | |
| C18 | C1 | sing | 1.51Å | 67.62Å | |
| N5 | C10 | sing | 1.39Å | 1.34Å | |
| N5 | HN5 | sing | 1.02Å | 1.02Å | |
| C10 | O33 | doub | 1.23Å | 1.22Å | |
| C10 | C9 | sing | 1.52Å | 1.51Å | |
| C9 | C12 | sing | 1.51Å | 1.51Å | |
| C9 | H91 | sing | 1.10Å | 1.12Å | |
| C9 | H92 | sing | 1.10Å | 1.12Å | |
| C12 | C21 | doub | 1.36Å | 1.26Å | Aromatic |
| C12 | S37 | sing | 1.70Å | 1.66Å | Aromatic |
| C21 | C23 | sing | 1.42Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C23 | C14 | doub | 1.38Å | 1.26Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C14 | S37 | sing | 1.71Å | 1.65Å | Aromatic |
| C14 | C17 | sing | 1.48Å | 1.51Å | |
| C17 | N3 | sing | 1.44Å | 1.45Å | |
| C17 | H171 | sing | 1.10Å | 1.12Å | |
| C17 | H172 | sing | 1.10Å | 1.12Å | |
| N3 | C19 | sing | 1.39Å | 1.33Å | |
| N3 | HN3 | sing | 1.01Å | 1.02Å | |
| C19 | O34 | doub | 1.23Å | 1.22Å | |
| C19 | C20 | sing | 1.49Å | 1.50Å | |
| C20 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | N2 | sing | 1.41Å | 1.37Å | |
| N2 | C13 | sing | 1.41Å | 1.37Å | |
| N2 | HN2 | sing | 1.02Å | 1.02Å | |
| C13 | C29 | doub | 1.37Å | 1.40Å | Aromatic |
| C13 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C29 | N4 | sing | 1.35Å | 1.35Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| N4 | C31 | doub | 1.35Å | 1.35Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| C30 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | N1 | doub | 1.34Å | 1.34Å | Aromatic |
| C8 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H11A | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | O36 | H36 | 122.0° | 115.0° |
| O36 | C6 | O35 | 121.9° | 123.5° |
| O36 | C6 | C7 | 119.9° | 112.5° |
| O35 | C6 | C7 | 118.2° | 124.0° |
| C6 | C7 | C27 | 113.3° | 111.3° |
| C6 | C7 | H71 | 110.8° | 108.1° |
| C6 | C7 | H72 | 110.8° | 108.1° |
| C27 | C7 | H71 | 110.8° | 111.4° |
| C27 | C7 | H72 | 110.8° | 111.7° |
| C7 | C27 | C18 | 109.2° | 110.4° |
| C7 | C27 | N5 | 110.9° | 112.3° |
| C7 | C27 | H27 | 109.5° | 111.8° |
| H71 | C7 | H72 | 99.5° | 105.8° |
| C18 | C27 | N5 | 111.8° | 107.2° |
| C18 | C27 | H27 | 108.6° | 108.9° |
| C27 | C18 | O32 | 118.1° | 122.4° |
| C27 | C18 | C1 | 139.8° | 116.5° |
| N5 | C27 | H27 | 106.8° | 106.1° |
| C27 | N5 | C10 | 123.8° | 122.7° |
| C27 | N5 | HN5 | 122.7° | 118.7° |
| O32 | C18 | C1 | 44.1° | 121.0° |
| C18 | C1 | H11A | 101.9° | 109.6° |
| C18 | C1 | H12 | 139.8° | 109.7° |
| C18 | C1 | H13 | 101.9° | 109.7° |
| C10 | N5 | HN5 | 113.5° | 118.6° |
| N5 | C10 | O33 | 124.0° | 124.9° |
| N5 | C10 | C9 | 116.5° | 111.6° |
| O33 | C10 | C9 | 119.4° | 123.5° |
| C10 | C9 | C12 | 109.8° | 113.3° |
| C10 | C9 | H91 | 112.1° | 108.8° |
| C10 | C9 | H92 | 112.1° | 108.6° |
| C12 | C9 | H91 | 112.1° | 109.6° |
| C12 | C9 | H92 | 112.1° | 109.7° |
| C9 | C12 | C21 | 124.9° | 127.6° |
| C9 | C12 | S37 | 126.0° | 118.6° |
| H91 | C9 | H92 | 98.3° | 106.6° |
| C21 | C12 | S37 | 109.0° | 113.8° |
| C12 | C21 | C23 | 113.3° | 111.2° |
| C12 | C21 | H21 | 118.7° | 124.5° |
| C12 | S37 | C14 | 94.3° | 91.0° |
| C23 | C21 | H21 | 127.9° | 124.3° |
| C21 | C23 | C14 | 114.2° | 112.1° |
| C21 | C23 | H23 | 127.5° | 124.4° |
| C14 | C23 | H23 | 118.3° | 123.5° |
| C23 | C14 | S37 | 108.7° | 112.0° |
| C23 | C14 | C17 | 125.2° | 128.5° |
| S37 | C14 | C17 | 126.1° | 119.5° |
| C14 | C17 | N3 | 112.9° | 112.8° |
| C14 | C17 | H171 | 110.9° | 111.7° |
| C14 | C17 | H172 | 111.0° | 112.1° |
| N3 | C17 | H171 | 111.0° | 106.9° |
| N3 | C17 | H172 | 110.9° | 106.8° |
| C17 | N3 | C19 | 121.4° | 122.4° |
| C17 | N3 | HN3 | 123.7° | 117.0° |
| H171 | C17 | H172 | 99.4° | 106.1° |
| C19 | N3 | HN3 | 114.9° | 120.4° |
| N3 | C19 | O34 | 120.8° | 124.9° |
| N3 | C19 | C20 | 121.5° | 115.9° |
| O34 | C19 | C20 | 117.7° | 119.2° |
| C19 | C20 | C22 | 119.8° | 118.8° |
| C19 | C20 | C26 | 121.0° | 118.9° |
| C22 | C20 | C26 | 119.2° | 122.2° |
| C20 | C22 | C11 | 120.6° | 118.9° |
| C20 | C22 | H22 | 119.7° | 121.7° |
| C20 | C26 | C25 | 120.1° | 118.9° |
| C20 | C26 | H26 | 119.8° | 121.8° |
| C11 | C22 | H22 | 119.7° | 119.4° |
| C22 | C11 | C24 | 120.6° | 120.0° |
| C22 | C11 | H11 | 119.7° | 119.5° |
| C24 | C11 | H11 | 119.7° | 120.5° |
| C11 | C24 | C25 | 118.6° | 120.0° |
| C11 | C24 | N2 | 118.2° | 120.0° |
| C25 | C26 | H26 | 120.1° | 119.3° |
| C26 | C25 | C24 | 120.9° | 120.0° |
| C26 | C25 | H25 | 119.6° | 119.4° |
| C24 | C25 | H25 | 119.6° | 120.6° |
| C25 | C24 | N2 | 123.1° | 120.0° |
| C24 | N2 | C13 | 127.2° | 132.6° |
| C24 | N2 | HN2 | 106.0° | 113.6° |
| C13 | N2 | HN2 | 106.0° | 113.8° |
| N2 | C13 | C29 | 119.1° | 118.7° |
| N2 | C13 | N1 | 122.0° | 119.9° |
| C29 | C13 | N1 | 118.8° | 121.4° |
| C13 | C29 | N4 | 120.2° | 121.7° |
| C13 | C29 | H29 | 121.8° | 122.7° |
| C13 | N1 | C8 | 121.2° | 117.9° |
| N4 | C29 | H29 | 118.0° | 115.6° |
| C29 | N4 | C31 | 120.5° | 117.8° |
| N4 | C31 | C30 | 120.5° | 120.2° |
| N4 | C31 | C8 | 119.7° | 120.6° |
| C30 | C31 | C8 | 119.8° | 119.1° |
| C31 | C30 | C15 | 120.2° | 121.3° |
| C31 | C30 | H30 | 119.9° | 120.0° |
| C31 | C8 | N1 | 119.5° | 120.7° |
| C31 | C8 | C16 | 120.1° | 119.1° |
| C15 | C30 | H30 | 119.9° | 118.7° |
| C30 | C15 | C28 | 119.9° | 119.6° |
| C30 | C15 | H15 | 120.1° | 120.1° |
| N1 | C8 | C16 | 120.4° | 120.3° |
| C8 | C16 | C28 | 120.1° | 121.3° |
| C8 | C16 | H16 | 120.1° | 119.9° |
| C28 | C16 | H16 | 119.9° | 118.8° |
| C16 | C28 | C15 | 120.0° | 119.6° |
| C16 | C28 | H28 | 120.0° | 120.1° |
| C15 | C28 | H28 | 120.0° | 120.3° |
| C28 | C15 | H15 | 120.0° | 120.3° |
| H11A | C1 | H12 | 101.9° | 110.2° |
| H11A | C1 | H13 | 106.1° | 108.7° |
| H12 | C1 | H13 | 101.9° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | C6 | O35 | C7 | 179.8° | 179.4° |
| O36 | C6 | C7 | C27 | 17.4° | 153.4° |
| O36 | C6 | C7 | H71 | 142.7° | 30.6° |
| O36 | C6 | C7 | H72 | 107.9° | 83.5° |
| H36 | O36 | C6 | O35 | 180.0° | 0.1° |
| H36 | O36 | C6 | C7 | 0.2° | 179.4° |
| O35 | C6 | C7 | C27 | 162.8° | 27.2° |
| O35 | C6 | C7 | H71 | 37.5° | 149.9° |
| O35 | C6 | C7 | H72 | 72.0° | 95.9° |
| C6 | C7 | C27 | H71 | 125.2° | 120.8° |
| C6 | C7 | C27 | H72 | 125.3° | 121.0° |
| C6 | C7 | H71 | H72 | 116.7° | 115.7° |
| C6 | C7 | C27 | C18 | 149.2° | 179.2° |
| C6 | C7 | C27 | N5 | 87.2° | 61.3° |
| C6 | C7 | C27 | H27 | 30.4° | 57.9° |
| C27 | C7 | H71 | H72 | 116.7° | 121.6° |
| C7 | C27 | C18 | N5 | 123.1° | 122.6° |
| C7 | C27 | C18 | H27 | 119.4° | 123.0° |
| C7 | C27 | N5 | H27 | 119.3° | 122.4° |
| C7 | C27 | C18 | O32 | 81.0° | 84.8° |
| C7 | C27 | C18 | C1 | 132.0° | 93.0° |
| C7 | C27 | N5 | C10 | 154.7° | 152.3° |
| C7 | C27 | N5 | HN5 | 25.3° | 27.6° |
| H71 | C7 | C27 | C18 | 85.5° | 60.0° |
| H71 | C7 | C27 | N5 | 38.0° | 59.5° |
| H71 | C7 | C27 | H27 | 155.7° | 178.7° |
| H72 | C7 | C27 | C18 | 23.9° | 58.1° |
| H72 | C7 | C27 | N5 | 147.5° | 177.7° |
| H72 | C7 | C27 | H27 | 94.8° | 63.2° |
| C18 | C27 | N5 | H27 | 118.6° | 116.2° |
| C27 | C18 | O32 | C1 | 134.0° | 177.7° |
| C18 | C27 | N5 | C10 | 83.2° | 86.3° |
| C18 | C27 | N5 | HN5 | 96.8° | 93.8° |
| C27 | C18 | C1 | H11A | 54.7° | 60.5° |
| C27 | C18 | C1 | H12 | 180.0° | 60.7° |
| C27 | C18 | C1 | H13 | 54.7° | 179.8° |
| N5 | C27 | C18 | O32 | 155.9° | 37.8° |
| N5 | C27 | C18 | C1 | 105.0° | 144.4° |
| C27 | N5 | C10 | HN5 | 180.0° | 179.9° |
| C27 | N5 | C10 | O33 | 26.6° | 0.1° |
| C27 | N5 | C10 | C9 | 153.8° | 179.8° |
| H27 | C27 | C18 | O32 | 38.4° | 152.2° |
| H27 | C27 | C18 | C1 | 12.6° | 30.0° |
| H27 | C27 | N5 | C10 | 35.4° | 29.9° |
| H27 | C27 | N5 | HN5 | 144.6° | 150.0° |
| O32 | C18 | C1 | H11A | 25.2° | 121.7° |
| O32 | C18 | C1 | H12 | 100.1° | 117.1° |
| O32 | C18 | C1 | H13 | 134.7° | 2.4° |
| C18 | C1 | H11A | H12 | 147.4° | 120.8° |
| C18 | C1 | H11A | H13 | 106.3° | 119.9° |
| C18 | C1 | H12 | H13 | 125.2° | 120.0° |
| N5 | C10 | O33 | C9 | 179.6° | 179.7° |
| N5 | C10 | C9 | C12 | 124.5° | 177.8° |
| N5 | C10 | C9 | H91 | 0.7° | 60.0° |
| N5 | C10 | C9 | H92 | 110.2° | 55.6° |
| HN5 | N5 | C10 | O33 | 153.5° | 180.0° |
| HN5 | N5 | C10 | C9 | 26.2° | 0.3° |
| O33 | C10 | C9 | C12 | 55.1° | 1.9° |
| O33 | C10 | C9 | H91 | 179.6° | 120.2° |
| O33 | C10 | C9 | H92 | 70.2° | 124.1° |
| C10 | C9 | C12 | H91 | 125.3° | 121.7° |
| C10 | C9 | C12 | H92 | 125.3° | 121.6° |
| C10 | C9 | H91 | H92 | 118.0° | 116.9° |
| C10 | C9 | C12 | C21 | 103.5° | 90.1° |
| C10 | C9 | C12 | S37 | 77.9° | 90.0° |
| C12 | C9 | H91 | H92 | 118.0° | 118.7° |
| C9 | C12 | C21 | S37 | 178.8° | 179.9° |
| C9 | C12 | C21 | C23 | 173.0° | 180.0° |
| C9 | C12 | C21 | H21 | 7.0° | 0.2° |
| C9 | C12 | S37 | C14 | 173.1° | 180.0° |
| H91 | C9 | C12 | C21 | 131.2° | 31.6° |
| H91 | C9 | C12 | S37 | 47.4° | 148.3° |
| H92 | C9 | C12 | C21 | 21.8° | 148.4° |
| H92 | C9 | C12 | S37 | 156.8° | 31.5° |
| C12 | C21 | C23 | H21 | 180.0° | 179.8° |
| C12 | C21 | C23 | C14 | 3.2° | 0.0° |
| C12 | C21 | C23 | H23 | 176.8° | 179.8° |
| C21 | C12 | S37 | C14 | 5.7° | 0.0° |
| S37 | C12 | C21 | C23 | 5.9° | 0.1° |
| S37 | C12 | C21 | H21 | 174.1° | 179.9° |
| C12 | S37 | C14 | C23 | 3.9° | 0.0° |
| C12 | S37 | C14 | C17 | 175.8° | 179.9° |
| C21 | C23 | C14 | H23 | 180.0° | 179.9° |
| C21 | C23 | C14 | S37 | 1.2° | 0.0° |
| C21 | C23 | C14 | C17 | 178.4° | 179.9° |
| H21 | C21 | C23 | C14 | 176.8° | 179.9° |
| H21 | C21 | C23 | H23 | 3.1° | 0.0° |
| C23 | C14 | S37 | C17 | 179.7° | 179.9° |
| C23 | C14 | C17 | N3 | 139.7° | 90.0° |
| C23 | C14 | C17 | H171 | 14.4° | 149.5° |
| C23 | C14 | C17 | H172 | 95.1° | 30.7° |
| H23 | C23 | C14 | S37 | 178.7° | 179.9° |
| H23 | C23 | C14 | C17 | 1.6° | 0.0° |
| S37 | C14 | C17 | N3 | 39.9° | 89.9° |
| S37 | C14 | C17 | H171 | 165.2° | 30.6° |
| S37 | C14 | C17 | H172 | 85.3° | 149.5° |
| C14 | C17 | N3 | H171 | 125.3° | 123.2° |
| C14 | C17 | N3 | H172 | 125.3° | 123.6° |
| C14 | C17 | H171 | H172 | 116.8° | 122.4° |
| C14 | C17 | N3 | C19 | 143.2° | 86.8° |
| C14 | C17 | N3 | HN3 | 36.8° | 97.2° |
| N3 | C17 | H171 | H172 | 116.8° | 113.7° |
| C17 | N3 | C19 | HN3 | 180.0° | 175.8° |
| C17 | N3 | C19 | O34 | 7.7° | 0.1° |
| C17 | N3 | C19 | C20 | 173.3° | 178.9° |
| H171 | C17 | N3 | C19 | 18.0° | 150.0° |
| H171 | C17 | N3 | HN3 | 162.0° | 26.0° |
| H172 | C17 | N3 | C19 | 91.5° | 36.8° |
| H172 | C17 | N3 | HN3 | 88.5° | 139.2° |
| N3 | C19 | O34 | C20 | 179.0° | 178.9° |
| N3 | C19 | C20 | C22 | 150.0° | 153.0° |
| N3 | C19 | C20 | C26 | 31.9° | 27.0° |
| HN3 | N3 | C19 | O34 | 172.3° | 175.9° |
| HN3 | N3 | C19 | C20 | 6.7° | 3.1° |
| O34 | C19 | C20 | C22 | 31.0° | 26.0° |
| O34 | C19 | C20 | C26 | 147.2° | 154.0° |
| C19 | C20 | C22 | C26 | 178.2° | 179.9° |
| C19 | C20 | C22 | C11 | 179.3° | 179.9° |
| C19 | C20 | C22 | H22 | 0.7° | 0.1° |
| C19 | C20 | C26 | C25 | 178.9° | 179.9° |
| C19 | C20 | C26 | H26 | 1.1° | 0.0° |
| C20 | C22 | C11 | H22 | 180.0° | 179.9° |
| C20 | C22 | C11 | C24 | 0.9° | 0.0° |
| C20 | C22 | C11 | H11 | 179.1° | 180.0° |
| C22 | C20 | C26 | C25 | 0.7° | 0.0° |
| C22 | C20 | C26 | H26 | 179.3° | 180.0° |
| C26 | C20 | C22 | C11 | 1.1° | 0.0° |
| C26 | C20 | C22 | H22 | 178.9° | 180.0° |
| C20 | C26 | C25 | H26 | 180.0° | 180.0° |
| C20 | C26 | C25 | C24 | 0.2° | 0.0° |
| C20 | C26 | C25 | H25 | 179.8° | 179.9° |
| C22 | C11 | C24 | H11 | 180.0° | 180.0° |
| C22 | C11 | C24 | C25 | 0.3° | 0.0° |
| C22 | C11 | C24 | N2 | 179.5° | 180.0° |
| H22 | C22 | C11 | C24 | 179.2° | 180.0° |
| H22 | C22 | C11 | H11 | 0.9° | 0.0° |
| C11 | C24 | C25 | C26 | 0.1° | 0.0° |
| C11 | C24 | C25 | N2 | 179.7° | 180.0° |
| C11 | C24 | C25 | H25 | 179.9° | 180.0° |
| C11 | C24 | N2 | C13 | 178.8° | 180.0° |
| C11 | C24 | N2 | HN2 | 53.6° | 0.1° |
| H11 | C11 | C24 | C25 | 179.7° | 180.0° |
| H11 | C11 | C24 | N2 | 0.6° | 0.0° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | N2 | 179.8° | 179.9° |
| H26 | C26 | C25 | C24 | 179.8° | 180.0° |
| H26 | C26 | C25 | H25 | 0.2° | 0.0° |
| C25 | C24 | N2 | C13 | 0.9° | 0.0° |
| C25 | C24 | N2 | HN2 | 126.1° | 180.0° |
| H25 | C25 | C24 | N2 | 0.2° | 0.1° |
| C24 | N2 | C13 | HN2 | 125.2° | 179.9° |
| C24 | N2 | C13 | C29 | 165.8° | 0.0° |
| C24 | N2 | C13 | N1 | 16.1° | 180.0° |
| N2 | C13 | C29 | N1 | 178.1° | 180.0° |
| N2 | C13 | C29 | N4 | 179.0° | 180.0° |
| N2 | C13 | C29 | H29 | 1.0° | 0.1° |
| N2 | C13 | N1 | C8 | 179.0° | 180.0° |
| HN2 | N2 | C13 | C29 | 68.9° | 180.0° |
| HN2 | N2 | C13 | N1 | 109.1° | 0.0° |
| C13 | C29 | N4 | H29 | 180.0° | 179.9° |
| C13 | C29 | N4 | C31 | 0.6° | 0.0° |
| C29 | C13 | N1 | C8 | 1.0° | 0.0° |
| N1 | C13 | C29 | N4 | 0.9° | 0.0° |
| N1 | C13 | C29 | H29 | 179.1° | 180.0° |
| C13 | N1 | C8 | C31 | 0.7° | 0.0° |
| C13 | N1 | C8 | C16 | 179.4° | 180.0° |
| C29 | N4 | C31 | C30 | 179.8° | 180.0° |
| C29 | N4 | C31 | C8 | 0.4° | 0.1° |
| H29 | C29 | N4 | C31 | 179.4° | 179.9° |
| N4 | C31 | C30 | C8 | 179.8° | 179.9° |
| N4 | C31 | C30 | C15 | 179.8° | 180.0° |
| N4 | C31 | C30 | H30 | 0.2° | 0.0° |
| N4 | C31 | C8 | N1 | 0.4° | 0.1° |
| N4 | C31 | C8 | C16 | 179.7° | 180.0° |
| C31 | C30 | C15 | H30 | 180.0° | 180.0° |
| C30 | C31 | C8 | N1 | 179.8° | 180.0° |
| C30 | C31 | C8 | C16 | 0.1° | 0.1° |
| C31 | C30 | C15 | C28 | 0.2° | 0.1° |
| C31 | C30 | C15 | H15 | 179.8° | 179.9° |
| C8 | C31 | C30 | C15 | 0.0° | 0.1° |
| C8 | C31 | C30 | H30 | 179.9° | 179.9° |
| C31 | C8 | N1 | C16 | 179.9° | 180.0° |
| C31 | C8 | C16 | C28 | NaN° | 0.0° |
| C31 | C8 | C16 | H16 | 180.0° | 179.9° |
| C30 | C15 | C28 | C16 | 0.2° | 0.0° |
| C30 | C15 | C28 | H15 | 180.0° | 179.9° |
| C30 | C15 | C28 | H28 | 179.7° | 179.9° |
| H30 | C30 | C15 | C28 | 179.8° | 179.9° |
| H30 | C30 | C15 | H15 | 0.2° | 0.1° |
| N1 | C8 | C16 | C28 | 179.9° | 180.0° |
| N1 | C8 | C16 | H16 | 0.1° | 0.0° |
| C8 | C16 | C28 | H16 | 180.0° | 180.0° |
| C8 | C16 | C28 | C15 | 0.2° | 0.0° |
| C8 | C16 | C28 | H28 | 179.8° | 179.9° |
| C16 | C28 | C15 | H28 | 180.0° | 179.9° |
| C16 | C28 | C15 | H15 | 179.7° | 179.9° |
| H16 | C16 | C28 | C15 | 179.8° | 180.0° |
| H16 | C16 | C28 | H28 | 0.2° | 0.1° |
| H28 | C28 | C15 | H15 | 0.3° | 0.1° |
| H11A | C1 | H12 | H13 | 109.5° | 119.2° |
