A58
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C5 | sing | 1.53Å | 1.47Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | C7 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | N8 | sing | 1.44Å | 1.51Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.61Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| N8 | C9 | sing | 1.45Å | 1.48Å | |
| N8 | HN8 | sing | 1.02Å | 1.00Å | |
| C9 | C10 | sing | 1.50Å | 1.51Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C10 | C15 | sing | 1.41Å | 1.47Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.47Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C12 | C13 | doub | 1.42Å | 1.47Å | Aromatic |
| C12 | C16 | sing | 1.54Å | 1.45Å | |
| C13 | C14 | sing | 1.38Å | 1.44Å | Aromatic |
| C13 | C18 | sing | 1.42Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.46Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | C17 | sing | 1.49Å | 1.42Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.42Å | Aromatic |
| C18 | N21 | sing | 1.35Å | 1.34Å | Aromatic |
| C19 | N20 | doub | 1.35Å | 1.37Å | Aromatic |
| C19 | C22 | sing | 1.44Å | 1.53Å | Aromatic |
| N20 | N21 | sing | 1.36Å | 1.37Å | Aromatic |
| N21 | H21 | sing | 1.01Å | 1.00Å | |
| C22 | C27 | sing | 1.39Å | 1.47Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.46Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.46Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | C25 | doub | 1.39Å | 1.48Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | C26 | sing | 1.40Å | 1.47Å | Aromatic |
| C25 | C28 | sing | 1.45Å | 1.47Å | |
| C26 | C27 | doub | 1.39Å | 1.45Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C28 | O29 | sing | 1.36Å | 1.34Å | |
| C28 | O30 | doub | 1.23Å | 1.20Å | |
| O29 | H29 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | H11A | 109.5° | 110.6° |
| C5 | C1 | H12 | 109.5° | 110.6° |
| C5 | C1 | H13 | 109.5° | 110.5° |
| C1 | C5 | C4 | 107.9° | 110.7° |
| C1 | C5 | C6 | 113.6° | 110.7° |
| C1 | C5 | H5 | 108.0° | 107.5° |
| H11A | C1 | H12 | 109.5° | 108.3° |
| H11A | C1 | H13 | 109.4° | 108.3° |
| H12 | C1 | H13 | 109.5° | 108.4° |
| C7 | C2 | C3 | 110.8° | 111.3° |
| C7 | C2 | N8 | 109.8° | 110.7° |
| C7 | C2 | H2 | 108.3° | 108.3° |
| C2 | C7 | C6 | 111.6° | 111.6° |
| C2 | C7 | H71 | 108.8° | 110.2° |
| C2 | C7 | H72 | 108.3° | 110.1° |
| C3 | C2 | N8 | 109.1° | 110.5° |
| C3 | C2 | H2 | 108.9° | 108.3° |
| C2 | C3 | C4 | 113.0° | 111.6° |
| C2 | C3 | H31 | 108.3° | 110.1° |
| C2 | C3 | H32 | 107.5° | 110.2° |
| N8 | C2 | H2 | 109.9° | 107.6° |
| C2 | N8 | C9 | 116.1° | 110.6° |
| C2 | N8 | HN8 | 107.3° | 108.7° |
| C4 | C3 | H31 | 108.3° | 108.9° |
| C4 | C3 | H32 | 107.5° | 109.1° |
| C3 | C4 | C5 | 114.8° | 111.7° |
| C3 | C4 | H41 | 107.7° | 109.3° |
| C3 | C4 | H42 | 106.5° | 109.3° |
| H31 | C3 | H32 | 112.3° | 106.8° |
| C5 | C4 | H41 | 107.8° | 109.8° |
| C5 | C4 | H42 | 106.6° | 109.8° |
| C4 | C5 | C6 | 110.1° | 110.9° |
| C4 | C5 | H5 | 111.6° | 108.5° |
| H41 | C4 | H42 | 113.7° | 106.8° |
| C6 | C5 | H5 | 105.7° | 108.5° |
| C5 | C6 | C7 | 113.3° | 111.7° |
| C5 | C6 | H61 | 108.2° | 109.9° |
| C5 | C6 | H62 | 107.4° | 109.8° |
| C7 | C6 | H61 | 108.2° | 109.4° |
| C7 | C6 | H62 | 107.3° | 109.3° |
| C6 | C7 | H71 | 108.8° | 109.1° |
| C6 | C7 | H72 | 108.3° | 109.0° |
| H61 | C6 | H62 | 112.5° | 106.8° |
| H71 | C7 | H72 | 111.1° | 106.8° |
| C9 | N8 | HN8 | 107.3° | 109.7° |
| N8 | C9 | C10 | 112.4° | 112.0° |
| N8 | C9 | H91 | 108.5° | 107.9° |
| N8 | C9 | H92 | 107.8° | 107.8° |
| C10 | C9 | H91 | 108.5° | 110.7° |
| C10 | C9 | H92 | 107.9° | 111.0° |
| C9 | C10 | C15 | 122.5° | 119.0° |
| C9 | C10 | C11 | 118.4° | 119.2° |
| H91 | C9 | H92 | 111.8° | 107.2° |
| C15 | C10 | C11 | 119.0° | 121.8° |
| C10 | C15 | C14 | 119.8° | 120.9° |
| C10 | C15 | H15 | 120.1° | 120.1° |
| C10 | C11 | C12 | 121.3° | 117.8° |
| C10 | C11 | H11 | 119.3° | 121.4° |
| C12 | C11 | H11 | 119.4° | 120.8° |
| C11 | C12 | C13 | 119.3° | 119.8° |
| C11 | C12 | C16 | 132.5° | 126.8° |
| C13 | C12 | C16 | 108.2° | 113.3° |
| C12 | C13 | C14 | 120.6° | 122.8° |
| C12 | C13 | C18 | 104.9° | 104.6° |
| C12 | C16 | C17 | 107.3° | 97.2° |
| C12 | C16 | H161 | 110.2° | 111.0° |
| C12 | C16 | H162 | 110.7° | 110.9° |
| C14 | C13 | C18 | 134.5° | 132.6° |
| C13 | C14 | C15 | 120.0° | 116.9° |
| C13 | C14 | H14 | 120.0° | 122.1° |
| C13 | C18 | C17 | 112.3° | 111.1° |
| C13 | C18 | N21 | 139.5° | 140.7° |
| C15 | C14 | H14 | 120.0° | 121.0° |
| C14 | C15 | H15 | 120.1° | 119.0° |
| C17 | C16 | H161 | 110.2° | 112.2° |
| C17 | C16 | H162 | 110.7° | 112.2° |
| C16 | C17 | C19 | 148.2° | 142.0° |
| C16 | C17 | C18 | 107.3° | 113.7° |
| H161 | C16 | H162 | 107.8° | 112.4° |
| C19 | C17 | C18 | 104.6° | 104.3° |
| C17 | C19 | N20 | 108.7° | 111.8° |
| C17 | C19 | C22 | 126.4° | 127.3° |
| C17 | C18 | N21 | 108.1° | 108.1° |
| C18 | N21 | N20 | 111.6° | 111.6° |
| C18 | N21 | H21 | 124.2° | 129.7° |
| N20 | C19 | C22 | 124.9° | 120.8° |
| C19 | N20 | N21 | 107.0° | 104.1° |
| C19 | C22 | C27 | 123.7° | 119.9° |
| C19 | C22 | C23 | 118.4° | 119.9° |
| N20 | N21 | H21 | 124.2° | 118.7° |
| C27 | C22 | C23 | 117.9° | 120.2° |
| C22 | C27 | C26 | 121.7° | 119.9° |
| C22 | C27 | H27 | 119.1° | 121.0° |
| C22 | C23 | C24 | 121.2° | 119.9° |
| C22 | C23 | H23 | 119.4° | 121.0° |
| C24 | C23 | H23 | 119.4° | 119.1° |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C23 | C24 | H24 | 119.9° | 119.3° |
| C25 | C24 | H24 | 119.9° | 120.6° |
| C24 | C25 | C26 | 118.8° | 120.0° |
| C24 | C25 | C28 | 120.6° | 120.0° |
| C26 | C25 | C28 | 120.7° | 120.0° |
| C25 | C26 | C27 | 120.2° | 120.1° |
| C25 | C26 | H26 | 119.9° | 120.6° |
| C25 | C28 | O29 | 117.4° | 112.5° |
| C25 | C28 | O30 | 121.0° | 125.4° |
| C27 | C26 | H26 | 119.9° | 119.4° |
| C26 | C27 | H27 | 119.2° | 119.1° |
| O29 | C28 | O30 | 121.6° | 122.1° |
| C28 | O29 | H29 | 109.5° | 113.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | H11A | H12 | 120.0° | 121.4° |
| C5 | C1 | H11A | H13 | 120.0° | 121.3° |
| C5 | C1 | H12 | H13 | 120.0° | 121.4° |
| C1 | C5 | C4 | C3 | 76.8° | 178.0° |
| C1 | C5 | C4 | C6 | 124.5° | 123.2° |
| C1 | C5 | C4 | H5 | 118.5° | 117.7° |
| C1 | C5 | C4 | H41 | 163.3° | 56.6° |
| C1 | C5 | C4 | H42 | 40.9° | 60.6° |
| C1 | C5 | C6 | H5 | 118.2° | 117.7° |
| C1 | C5 | C6 | C7 | 70.9° | 178.0° |
| C1 | C5 | C6 | H61 | 169.1° | 60.5° |
| C1 | C5 | C6 | H62 | 47.4° | 56.7° |
| H11A | C1 | H12 | H13 | 120.0° | 117.3° |
| H11A | C1 | C5 | C4 | 16.8° | 49.6° |
| H11A | C1 | C5 | C6 | 105.5° | 73.8° |
| H11A | C1 | C5 | H5 | 137.6° | 167.9° |
| H12 | C1 | C5 | C4 | 136.8° | 70.4° |
| H12 | C1 | C5 | C6 | 14.5° | 166.2° |
| H12 | C1 | C5 | H5 | 102.4° | 47.9° |
| H13 | C1 | C5 | C4 | 103.1° | 169.5° |
| H13 | C1 | C5 | C6 | 134.5° | 46.1° |
| H13 | C1 | C5 | H5 | 17.7° | 72.2° |
| C7 | C2 | C3 | N8 | 121.0° | 123.5° |
| C7 | C2 | C3 | H2 | 119.0° | 118.9° |
| C7 | C2 | N8 | H2 | 119.0° | 118.2° |
| C7 | C2 | C3 | C4 | 53.6° | 54.5° |
| C7 | C2 | C3 | H31 | 173.5° | 66.6° |
| C7 | C2 | C3 | H32 | 64.9° | 175.9° |
| C2 | C7 | C6 | C5 | 55.5° | 55.0° |
| C2 | C7 | C6 | H71 | 120.0° | 122.0° |
| C2 | C7 | C6 | H72 | 119.1° | 121.8° |
| C2 | C7 | C6 | H61 | 64.5° | 176.8° |
| C2 | C7 | C6 | H62 | 173.8° | 66.6° |
| C2 | C7 | H71 | H72 | 119.2° | 119.5° |
| C7 | C2 | N8 | C9 | 79.2° | 59.6° |
| C7 | C2 | N8 | HN8 | 40.8° | 180.0° |
| C3 | C2 | N8 | H2 | 119.4° | 118.0° |
| C2 | C3 | C4 | H31 | 120.0° | 121.8° |
| C2 | C3 | C4 | H32 | 118.5° | 122.0° |
| C2 | C3 | H31 | H32 | 118.6° | 119.6° |
| C2 | C3 | C4 | C5 | 51.0° | 54.9° |
| C2 | C3 | C4 | H41 | 69.0° | 66.8° |
| C2 | C3 | C4 | H42 | 168.6° | 176.6° |
| C3 | C2 | C7 | C6 | 56.1° | 54.6° |
| C3 | C2 | C7 | H71 | 63.9° | 176.0° |
| C3 | C2 | C7 | H72 | 175.2° | 66.5° |
| C3 | C2 | N8 | C9 | 159.2° | 176.6° |
| C3 | C2 | N8 | HN8 | 80.8° | 56.2° |
| N8 | C2 | C3 | C4 | 174.6° | 178.0° |
| N8 | C2 | C3 | H31 | 65.5° | 56.9° |
| N8 | C2 | C3 | H32 | 56.1° | 60.7° |
| N8 | C2 | C7 | C6 | 176.7° | 177.9° |
| N8 | C2 | C7 | H71 | 56.7° | 60.7° |
| N8 | C2 | C7 | H72 | 64.2° | 56.8° |
| C2 | N8 | C9 | HN8 | 120.0° | 119.8° |
| C2 | N8 | C9 | C10 | 146.9° | 179.9° |
| C2 | N8 | C9 | H91 | 93.1° | 58.1° |
| C2 | N8 | C9 | H92 | 28.2° | 57.4° |
| H2 | C2 | C3 | C4 | 65.4° | 64.4° |
| H2 | C2 | C3 | H31 | 54.6° | 174.5° |
| H2 | C2 | C3 | H32 | 176.1° | 56.9° |
| H2 | C2 | C7 | C6 | 63.3° | 64.3° |
| H2 | C2 | C7 | H71 | 176.7° | 57.1° |
| H2 | C2 | C7 | H72 | 55.9° | 174.5° |
| H2 | C2 | N8 | C9 | 39.8° | 58.6° |
| H2 | C2 | N8 | HN8 | 159.8° | 61.8° |
| C4 | C3 | H31 | H32 | 118.6° | 117.6° |
| C3 | C4 | C5 | H41 | 120.0° | 121.4° |
| C3 | C4 | C5 | H42 | 117.6° | 121.4° |
| C3 | C4 | H41 | H42 | 117.8° | 118.1° |
| C3 | C4 | C5 | C6 | 47.7° | 54.7° |
| C3 | C4 | C5 | H5 | 164.7° | 64.3° |
| H31 | C3 | C4 | C5 | 171.0° | 66.9° |
| H31 | C3 | C4 | H41 | 51.0° | 171.4° |
| H31 | C3 | C4 | H42 | 71.4° | 54.8° |
| H32 | C3 | C4 | C5 | 67.5° | 176.9° |
| H32 | C3 | C4 | H41 | 172.5° | 55.2° |
| H32 | C3 | C4 | H42 | 50.2° | 61.4° |
| C5 | C4 | H41 | H42 | 117.9° | 119.0° |
| C4 | C5 | C6 | H5 | 120.6° | 119.1° |
| C4 | C5 | C6 | C7 | 50.2° | 54.8° |
| C4 | C5 | C6 | H61 | 69.8° | 176.3° |
| C4 | C5 | C6 | H62 | 168.5° | 66.6° |
| H41 | C4 | C5 | C6 | 72.3° | 66.7° |
| H41 | C4 | C5 | H5 | 44.8° | 174.3° |
| H42 | C4 | C5 | C6 | 165.3° | 176.1° |
| H42 | C4 | C5 | H5 | 77.6° | 57.1° |
| C5 | C6 | C7 | H61 | 120.0° | 121.8° |
| C5 | C6 | C7 | H62 | 118.3° | 121.6° |
| C5 | C6 | H61 | H62 | 118.4° | 119.0° |
| C5 | C6 | C7 | H71 | 64.5° | 177.0° |
| C5 | C6 | C7 | H72 | 174.6° | 66.8° |
| H5 | C5 | C6 | C7 | 170.9° | 64.3° |
| H5 | C5 | C6 | H61 | 50.9° | 57.2° |
| H5 | C5 | C6 | H62 | 70.8° | 174.4° |
| C7 | C6 | H61 | H62 | 118.4° | 118.1° |
| C6 | C7 | H71 | H72 | 119.1° | 117.6° |
| H61 | C6 | C7 | H71 | 175.5° | 61.2° |
| H61 | C6 | C7 | H72 | 54.6° | 55.0° |
| H62 | C6 | C7 | H71 | 53.8° | 55.4° |
| H62 | C6 | C7 | H72 | 67.0° | 171.6° |
| N8 | C9 | C10 | H91 | 120.0° | 120.5° |
| N8 | C9 | C10 | H92 | 118.7° | 120.6° |
| N8 | C9 | H91 | H92 | 118.8° | 115.9° |
| N8 | C9 | C10 | C15 | 133.3° | 90.0° |
| N8 | C9 | C10 | C11 | 46.2° | 90.0° |
| HN8 | N8 | C9 | C10 | 26.9° | 60.0° |
| HN8 | N8 | C9 | H91 | 146.9° | 177.9° |
| HN8 | N8 | C9 | H92 | 91.8° | 62.4° |
| C10 | C9 | H91 | H92 | 118.8° | 121.2° |
| C9 | C10 | C15 | C11 | 179.5° | 179.9° |
| C9 | C10 | C11 | C12 | 179.5° | 179.9° |
| C9 | C10 | C11 | H11 | 0.5° | 0.0° |
| C9 | C10 | C15 | C14 | 179.5° | 179.9° |
| C9 | C10 | C15 | H15 | 0.5° | 0.1° |
| H91 | C9 | C10 | C15 | 106.7° | 149.5° |
| H91 | C9 | C10 | C11 | 73.8° | 30.5° |
| H92 | C9 | C10 | C15 | 14.5° | 30.6° |
| H92 | C9 | C10 | C11 | 165.0° | 149.5° |
| C15 | C10 | C11 | C12 | 0.0° | 0.0° |
| C15 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.1° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C10 | C15 | C14 | H14 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | C16 | 180.0° | 179.9° |
| C11 | C10 | C15 | C14 | 0.0° | 0.0° |
| C11 | C10 | C15 | H15 | 180.0° | 180.0° |
| C11 | C12 | C13 | C16 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C11 | C12 | C13 | C18 | 179.9° | 180.0° |
| C11 | C12 | C16 | C17 | 179.9° | 180.0° |
| C11 | C12 | C16 | H161 | 59.9° | 62.8° |
| C11 | C12 | C16 | H162 | 59.2° | 62.9° |
| H11 | C11 | C12 | C13 | 179.9° | 180.0° |
| H11 | C11 | C12 | C16 | 0.0° | 0.1° |
| C12 | C13 | C14 | C18 | 179.8° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C12 | C16 | C17 | 0.1° | 0.1° |
| C13 | C12 | C16 | H161 | 120.1° | 117.1° |
| C13 | C12 | C16 | H162 | 120.8° | 117.2° |
| C12 | C13 | C18 | C17 | 0.0° | 0.0° |
| C12 | C13 | C18 | N21 | 180.0° | 179.9° |
| C16 | C12 | C13 | C14 | 179.8° | 180.0° |
| C16 | C12 | C13 | C18 | 0.0° | 0.1° |
| C12 | C16 | C17 | H161 | 120.0° | 116.3° |
| C12 | C16 | C17 | H162 | 120.9° | 116.1° |
| C12 | C16 | H161 | H162 | 120.9° | 124.9° |
| C12 | C16 | C17 | C19 | 179.7° | 179.9° |
| C12 | C16 | C17 | C18 | 0.1° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | H15 | 179.9° | 179.9° |
| C14 | C13 | C18 | C17 | 179.9° | 179.9° |
| C14 | C13 | C18 | N21 | 0.2° | 0.0° |
| C18 | C13 | C14 | C15 | 180.0° | 180.0° |
| C18 | C13 | C14 | H14 | 0.0° | 0.1° |
| C13 | C18 | C17 | C16 | 0.1° | 0.0° |
| C13 | C18 | C17 | C19 | 179.9° | 179.9° |
| C13 | C18 | C17 | N21 | 180.0° | 179.9° |
| C13 | C18 | N21 | N20 | 179.9° | 179.9° |
| C13 | C18 | N21 | H21 | 0.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C17 | C16 | H161 | H162 | 120.9° | 127.5° |
| C16 | C17 | C19 | C18 | 179.6° | 180.0° |
| C16 | C17 | C18 | N21 | 180.0° | 180.0° |
| C16 | C17 | C19 | N20 | 179.8° | 180.0° |
| C16 | C17 | C19 | C22 | 0.3° | 0.1° |
| H161 | C16 | C17 | C19 | 60.3° | 63.8° |
| H161 | C16 | C17 | C18 | 120.1° | 116.2° |
| H162 | C16 | C17 | C19 | 58.9° | 63.8° |
| H162 | C16 | C17 | C18 | 120.8° | 116.2° |
| C19 | C17 | C18 | N21 | 0.2° | 0.0° |
| C17 | C19 | N20 | C22 | 179.4° | 179.9° |
| C17 | C19 | N20 | N21 | 0.1° | 0.1° |
| C17 | C19 | C22 | C27 | 12.7° | 30.0° |
| C17 | C19 | C22 | C23 | 166.6° | 150.0° |
| C18 | C17 | C19 | N20 | 0.1° | 0.0° |
| C18 | C17 | C19 | C22 | 179.3° | 180.0° |
| C17 | C18 | N21 | N20 | 0.1° | 0.0° |
| C17 | C18 | N21 | H21 | 179.9° | 179.9° |
| C18 | N21 | N20 | C19 | 0.0° | 0.1° |
| C18 | N21 | N20 | H21 | 180.0° | 179.9° |
| C19 | N20 | N21 | H21 | 179.9° | 179.9° |
| N20 | C19 | C22 | C27 | 168.0° | 149.9° |
| N20 | C19 | C22 | C23 | 12.7° | 30.1° |
| C22 | C19 | N20 | N21 | 179.4° | 180.0° |
| C19 | C22 | C27 | C23 | 179.3° | 180.0° |
| C19 | C22 | C23 | C24 | 179.3° | 180.0° |
| C19 | C22 | C23 | H23 | 0.7° | 0.0° |
| C19 | C22 | C27 | C26 | 179.3° | 180.0° |
| C19 | C22 | C27 | H27 | 0.7° | 0.0° |
| C27 | C22 | C23 | C24 | 0.1° | 0.0° |
| C27 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C27 | C26 | C25 | 0.1° | 0.0° |
| C22 | C27 | C26 | H27 | 180.0° | 180.0° |
| C22 | C27 | C26 | H26 | 179.9° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C22 | C27 | C26 | 0.0° | 0.0° |
| C23 | C22 | C27 | H27 | 180.0° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | C28 | 179.9° | 180.0° |
| H23 | C23 | C24 | C25 | 180.0° | 180.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
| C24 | C25 | C26 | C28 | 179.9° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C24 | C25 | C28 | O29 | 7.1° | 179.9° |
| C24 | C25 | C28 | O30 | 172.8° | 0.0° |
| H24 | C24 | C25 | C26 | 179.9° | 180.0° |
| H24 | C24 | C25 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C28 | O29 | 173.0° | 0.1° |
| C26 | C25 | C28 | O30 | 7.1° | 180.0° |
| C28 | C25 | C26 | C27 | 179.8° | 180.0° |
| C28 | C25 | C26 | H26 | 0.2° | 0.0° |
| C25 | C28 | O29 | O30 | 179.9° | 180.0° |
| C25 | C28 | O29 | H29 | 179.9° | 179.9° |
| H26 | C26 | C27 | H27 | 0.1° | 0.0° |
| O30 | C28 | O29 | H29 | 0.0° | 0.0° |
