A1IHS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | N11 | sing | 1.47Å | 1.46Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.58Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C14 | sing | 1.55Å | 1.57Å | |
| C6 | C1 | doub | 1.36Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| N10 | C5 | doub | 1.34Å | 1.34Å | Aromatic |
| N10 | C9 | sing | 1.32Å | 1.36Å | Aromatic |
| N11 | C9 | sing | 1.39Å | 1.37Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| C29 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.42Å | 1.40Å | Aromatic |
| C14 | N17 | sing | 1.45Å | 1.51Å | |
| C14 | C13 | sing | 1.52Å | 1.58Å | |
| C9 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.50Å | 1.52Å | |
| C12 | C13 | sing | 1.52Å | 1.57Å | |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| N17 | C18 | sing | 1.34Å | 1.37Å | |
| N17 | C23 | sing | 1.46Å | 1.49Å | |
| C24 | C23 | sing | 1.51Å | 1.54Å | |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | N7 | doub | 1.34Å | 1.35Å | Aromatic |
| C18 | O22 | doub | 1.21Å | 1.22Å | |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N7 | sing | 1.31Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.10Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.10Å | 1.10Å | |
| C13 | H7 | sing | 1.10Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| C8 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | N11 | 103.7° | 109.0° |
| C16 | C15 | C14 | 114.9° | 111.1° |
| C16 | C15 | H8 | 108.1° | 108.9° |
| C16 | C15 | H9 | 108.1° | 109.4° |
| C15 | C16 | H10 | 110.9° | 110.4° |
| C15 | C16 | H11 | 110.9° | 109.3° |
| C16 | N11 | C9 | 123.0° | 111.0° |
| C16 | N11 | C12 | 115.5° | 110.9° |
| N11 | C16 | H10 | 110.9° | 110.0° |
| N11 | C16 | H11 | 110.9° | 109.0° |
| C29 | C28 | C27 | 119.6° | 120.0° |
| C28 | C29 | C24 | 120.9° | 120.0° |
| C29 | C28 | H23 | 120.2° | 120.0° |
| C28 | C29 | H24 | 119.6° | 119.9° |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C28 | C27 | H22 | 120.0° | 120.0° |
| C27 | C28 | H23 | 120.2° | 120.0° |
| C15 | C14 | C21 | 106.5° | 106.1° |
| C15 | C14 | N17 | 109.8° | 111.2° |
| C15 | C14 | C13 | 110.6° | 110.9° |
| C14 | C15 | H8 | 108.1° | 109.3° |
| C14 | C15 | H9 | 108.1° | 109.3° |
| C20 | C21 | C14 | 113.8° | 107.8° |
| C21 | C20 | C19 | 107.4° | 107.5° |
| C21 | C20 | H14 | 110.0° | 110.6° |
| C21 | C20 | H15 | 110.0° | 109.7° |
| C20 | C21 | H16 | 108.4° | 110.4° |
| C20 | C21 | H17 | 108.4° | 110.3° |
| C21 | C14 | N17 | 111.8° | 108.5° |
| C21 | C14 | C13 | 104.3° | 106.0° |
| C14 | C21 | H16 | 108.4° | 108.8° |
| C14 | C21 | H17 | 108.4° | 108.8° |
| C1 | C6 | C5 | 119.5° | 119.7° |
| C6 | C1 | C2 | 119.7° | 120.9° |
| C6 | C1 | H1 | 120.1° | 119.5° |
| C1 | C6 | H25 | 120.2° | 120.2° |
| C6 | C5 | N10 | 120.0° | 121.0° |
| C6 | C5 | C4 | 120.7° | 119.3° |
| C5 | C6 | H25 | 120.3° | 120.1° |
| C5 | N10 | C9 | 122.5° | 119.6° |
| N10 | C5 | C4 | 119.2° | 119.7° |
| N10 | C9 | N11 | 119.2° | 119.7° |
| N10 | C9 | C8 | 117.8° | 120.5° |
| C9 | N11 | C12 | 121.3° | 111.1° |
| N11 | C9 | C8 | 123.0° | 119.8° |
| N11 | C12 | C13 | 106.0° | 111.5° |
| N11 | C12 | H4 | 110.3° | 107.9° |
| N11 | C12 | H5 | 110.4° | 110.0° |
| C29 | C24 | C23 | 120.8° | 120.0° |
| C29 | C24 | C25 | 118.9° | 120.0° |
| C24 | C29 | H24 | 119.6° | 120.0° |
| C1 | C2 | C3 | 120.4° | 121.0° |
| C2 | C1 | H1 | 120.1° | 119.6° |
| C1 | C2 | H2 | 119.8° | 119.5° |
| C27 | C26 | C25 | 120.2° | 120.0° |
| C27 | C26 | H21 | 119.9° | 120.0° |
| C26 | C27 | H22 | 120.1° | 120.0° |
| C20 | C19 | C18 | 113.9° | 110.4° |
| C20 | C19 | H12 | 108.3° | 109.3° |
| C20 | C19 | H13 | 108.4° | 109.3° |
| C19 | C20 | H14 | 110.0° | 110.1° |
| C19 | C20 | H15 | 110.0° | 109.5° |
| C5 | C4 | C3 | 119.9° | 119.3° |
| C5 | C4 | N7 | 119.2° | 119.7° |
| N17 | C14 | C13 | 113.6° | 113.6° |
| C14 | N17 | C18 | 121.7° | 122.9° |
| C14 | N17 | C23 | 121.5° | 121.3° |
| C14 | C13 | C12 | 117.0° | 114.3° |
| C14 | C13 | H6 | 107.6° | 109.4° |
| C14 | C13 | H7 | 107.6° | 108.5° |
| C9 | C8 | N7 | 119.9° | 120.6° |
| C9 | C8 | H26 | 120.0° | 119.7° |
| C19 | C18 | N17 | 123.9° | 123.6° |
| C19 | C18 | O22 | 113.0° | 118.5° |
| C18 | C19 | H12 | 108.4° | 109.3° |
| C18 | C19 | H13 | 108.3° | 109.3° |
| C13 | C12 | H4 | 110.3° | 108.4° |
| C13 | C12 | H5 | 110.4° | 111.9° |
| C12 | C13 | H6 | 107.6° | 109.3° |
| C12 | C13 | H7 | 107.6° | 108.5° |
| C2 | C3 | C4 | 119.7° | 119.7° |
| C3 | C2 | H2 | 119.8° | 119.5° |
| C2 | C3 | H3 | 120.1° | 120.2° |
| C18 | N17 | C23 | 116.5° | 115.8° |
| N17 | C18 | O22 | 123.1° | 117.9° |
| N17 | C23 | C24 | 117.0° | 109.5° |
| N17 | C23 | H18 | 107.5° | 109.5° |
| N17 | C23 | H19 | 107.6° | 109.5° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C24 | C23 | H18 | 107.6° | 109.5° |
| C24 | C23 | H19 | 107.6° | 109.5° |
| C24 | C25 | C26 | 120.5° | 120.0° |
| C24 | C25 | H20 | 119.8° | 120.0° |
| C3 | C4 | N7 | 120.9° | 121.0° |
| C4 | C3 | H3 | 120.2° | 120.1° |
| C4 | N7 | C8 | 121.3° | 119.8° |
| C26 | C25 | H20 | 119.7° | 120.0° |
| C25 | C26 | H21 | 119.9° | 120.0° |
| N7 | C8 | H26 | 120.1° | 119.6° |
| H4 | C12 | H5 | 109.4° | 107.0° |
| H6 | C13 | H7 | 109.4° | 106.4° |
| H8 | C15 | H9 | 109.5° | 108.8° |
| H10 | C16 | H11 | 109.5° | 109.1° |
| H12 | C19 | H13 | 109.5° | 109.2° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 110.6° |
| H18 | C23 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | N11 | H10 | 119.1° | 121.2° |
| C15 | C16 | N11 | H11 | 119.1° | 119.2° |
| C16 | C15 | C14 | H8 | 120.8° | 120.2° |
| C16 | C15 | C14 | H9 | 120.8° | 120.9° |
| C16 | C15 | C14 | C21 | 71.4° | 164.8° |
| C15 | C16 | N11 | C9 | 102.1° | 171.6° |
| C15 | C16 | N11 | C12 | 72.6° | 64.3° |
| C16 | C15 | C14 | N17 | 167.4° | 77.3° |
| C16 | C15 | C14 | C13 | 41.3° | 50.2° |
| C16 | C15 | H8 | H9 | 117.5° | 119.2° |
| C15 | C16 | H10 | H11 | 122.7° | 120.1° |
| N11 | C16 | C15 | C14 | 56.4° | 60.1° |
| C16 | N11 | C9 | N10 | 5.5° | 0.0° |
| C16 | N11 | C9 | C12 | 174.4° | 123.9° |
| C16 | N11 | C9 | C8 | 177.7° | 180.0° |
| C16 | N11 | C12 | C13 | 66.9° | 58.6° |
| C16 | N11 | C12 | H4 | 173.7° | 177.5° |
| C16 | N11 | C12 | H5 | 52.6° | 66.1° |
| N11 | C16 | C15 | H8 | 177.2° | 179.5° |
| N11 | C16 | C15 | H9 | 64.4° | 60.8° |
| N11 | C16 | H10 | H11 | 122.7° | 119.6° |
| C29 | C28 | C27 | H23 | 180.0° | 179.4° |
| C28 | C29 | C24 | H24 | 180.0° | 179.4° |
| C29 | C28 | C27 | C26 | 0.4° | 0.3° |
| C28 | C29 | C24 | C23 | 179.5° | 179.7° |
| C28 | C29 | C24 | C25 | 0.8° | 0.6° |
| C29 | C28 | C27 | H22 | 179.6° | 179.7° |
| C27 | C28 | C29 | C24 | 0.6° | 0.6° |
| C28 | C27 | C26 | H22 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 1.1° | 0.0° |
| C28 | C27 | C26 | H21 | 178.9° | 180.0° |
| C27 | C28 | C29 | H24 | 179.4° | 180.0° |
| C15 | C14 | C21 | C20 | 164.7° | 61.9° |
| C15 | C14 | C21 | N17 | 119.9° | 119.6° |
| C15 | C14 | C21 | C13 | 116.9° | 118.0° |
| C15 | C14 | N17 | C13 | 124.3° | 126.0° |
| C15 | C14 | C13 | C12 | 35.6° | 45.0° |
| C15 | C14 | N17 | C18 | 132.7° | 87.1° |
| C15 | C14 | N17 | C23 | 52.8° | 93.8° |
| C15 | C14 | C13 | H6 | 156.6° | 168.0° |
| C15 | C14 | C13 | H7 | 85.5° | 76.3° |
| C14 | C15 | H8 | H9 | 117.6° | 119.3° |
| C14 | C15 | C16 | H10 | 175.5° | 60.9° |
| C14 | C15 | C16 | H11 | 62.7° | 179.1° |
| C15 | C14 | C21 | H16 | 44.1° | 178.5° |
| C15 | C14 | C21 | H17 | 74.6° | 57.8° |
| C20 | C21 | C14 | H16 | 120.6° | 119.7° |
| C20 | C21 | C14 | H17 | 120.6° | 119.7° |
| C21 | C20 | C19 | H14 | 119.7° | 120.6° |
| C21 | C20 | C19 | H15 | 119.7° | 119.0° |
| C20 | C21 | C14 | N17 | 44.8° | 57.8° |
| C20 | C21 | C14 | C13 | 78.4° | 179.9° |
| C21 | C20 | C19 | C18 | 45.8° | 48.3° |
| C21 | C20 | C19 | H12 | 166.5° | 168.6° |
| C21 | C20 | C19 | H13 | 74.9° | 71.9° |
| C21 | C20 | H14 | H15 | 121.0° | 121.0° |
| C20 | C21 | H16 | H17 | 118.0° | 122.4° |
| C14 | C21 | C20 | C19 | 60.1° | 69.2° |
| C21 | C14 | N17 | C13 | 117.7° | 117.6° |
| C21 | C14 | C13 | C12 | 78.5° | 159.8° |
| C21 | C14 | N17 | C18 | 14.8° | 29.3° |
| C21 | C14 | N17 | C23 | 170.8° | 149.8° |
| C21 | C14 | C13 | H6 | 42.6° | 77.2° |
| C21 | C14 | C13 | H7 | 160.4° | 38.5° |
| C21 | C14 | C15 | H8 | 49.4° | 75.0° |
| C21 | C14 | C15 | H9 | 167.8° | 44.0° |
| C14 | C21 | C20 | H14 | 59.6° | 51.1° |
| C14 | C21 | C20 | H15 | 179.7° | 171.9° |
| C14 | C21 | H16 | H17 | 118.0° | 119.5° |
| C1 | C6 | C5 | H25 | 180.0° | 179.6° |
| C1 | C6 | C5 | N10 | 179.8° | 179.8° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 2.0° | 0.5° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | H2 | 179.6° | 179.7° |
| C6 | C5 | N10 | C4 | 177.8° | 179.8° |
| C6 | C5 | N10 | C9 | 177.3° | 179.8° |
| C5 | C6 | C1 | C2 | 1.8° | 0.5° |
| C6 | C5 | C4 | C3 | 0.9° | 0.2° |
| C6 | C5 | C4 | N7 | 177.6° | 179.8° |
| C5 | C6 | C1 | H1 | 178.2° | 179.8° |
| C5 | N10 | C9 | N11 | 179.3° | 180.0° |
| C5 | N10 | C9 | C8 | 2.4° | 0.1° |
| N10 | C5 | C4 | C3 | 178.8° | 180.0° |
| N10 | C5 | C4 | N7 | 0.3° | 0.0° |
| N10 | C5 | C6 | H25 | 0.1° | 0.2° |
| N10 | C9 | N11 | C8 | 176.7° | 180.0° |
| N10 | C9 | N11 | C12 | 168.9° | 123.9° |
| C9 | N10 | C5 | C4 | 0.5° | 0.0° |
| N10 | C9 | C8 | N7 | 4.3° | 0.1° |
| N10 | C9 | C8 | H26 | 175.7° | 180.0° |
| C9 | N11 | C12 | C13 | 107.9° | 177.4° |
| N11 | C9 | C8 | N7 | 179.0° | 180.0° |
| C9 | N11 | C12 | H4 | 11.6° | 58.5° |
| C9 | N11 | C12 | H5 | 132.6° | 57.9° |
| C9 | N11 | C16 | H10 | 16.9° | 67.2° |
| C9 | N11 | C16 | H11 | 138.8° | 52.5° |
| N11 | C9 | C8 | H26 | 1.0° | 0.0° |
| N11 | C12 | C13 | C14 | 45.1° | 49.1° |
| C12 | N11 | C9 | C8 | 7.9° | 56.1° |
| N11 | C12 | C13 | H4 | 119.5° | 118.6° |
| N11 | C12 | C13 | H5 | 119.5° | 123.7° |
| N11 | C12 | H4 | H5 | 121.6° | 118.3° |
| N11 | C12 | C13 | H6 | 166.2° | 172.2° |
| N11 | C12 | C13 | H7 | 76.0° | 72.1° |
| C12 | N11 | C16 | H10 | 168.4° | 56.9° |
| C12 | N11 | C16 | H11 | 46.5° | 176.5° |
| C29 | C24 | C23 | N17 | 5.8° | 96.7° |
| C29 | C24 | C23 | C25 | 178.7° | 179.7° |
| C29 | C24 | C25 | C26 | 2.3° | 0.3° |
| C29 | C24 | C23 | H18 | 115.2° | 23.3° |
| C29 | C24 | C23 | H19 | 126.9° | 143.3° |
| C29 | C24 | C25 | H20 | 177.7° | 179.7° |
| C24 | C29 | C28 | H23 | 179.4° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.1° |
| C1 | C2 | C3 | H3 | 179.3° | 179.9° |
| C2 | C1 | C6 | H25 | 178.2° | 179.9° |
| C27 | C26 | C25 | C24 | 2.5° | 0.0° |
| C27 | C26 | C25 | H21 | 180.0° | 179.9° |
| C27 | C26 | C25 | H20 | 177.5° | 180.0° |
| C26 | C27 | C28 | H23 | 179.6° | 179.7° |
| C20 | C19 | C18 | H12 | 120.7° | 120.3° |
| C20 | C19 | C18 | H13 | 120.7° | 120.2° |
| C20 | C19 | C18 | N17 | 19.3° | 20.4° |
| C20 | C19 | C18 | O22 | 161.1° | 160.9° |
| C20 | C19 | H12 | H13 | 118.0° | 119.5° |
| C19 | C20 | H14 | H15 | 120.9° | 120.4° |
| C19 | C20 | C21 | H16 | 60.6° | 49.5° |
| C19 | C20 | C21 | H17 | 179.3° | 172.1° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C5 | C4 | C3 | N7 | 178.5° | 180.0° |
| C5 | C4 | N7 | C8 | 2.2° | 0.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C4 | C5 | C6 | H25 | 177.9° | 180.0° |
| C14 | N17 | C18 | C19 | 2.8° | 11.2° |
| N17 | C14 | C13 | C12 | 159.5° | 81.2° |
| C14 | N17 | C18 | C23 | 174.7° | 179.2° |
| C14 | N17 | C23 | C24 | 103.1° | 95.9° |
| C14 | N17 | C18 | O22 | 177.6° | 170.1° |
| N17 | C14 | C13 | H6 | 79.4° | 41.8° |
| N17 | C14 | C13 | H7 | 38.4° | 157.6° |
| N17 | C14 | C15 | H8 | 71.8° | 42.9° |
| N17 | C14 | C15 | H9 | 46.6° | 161.8° |
| N17 | C14 | C21 | H16 | 75.8° | 61.9° |
| N17 | C14 | C21 | H17 | 165.4° | 177.5° |
| C14 | N17 | C23 | H18 | 17.9° | 24.1° |
| C14 | N17 | C23 | H19 | 135.8° | 144.1° |
| C14 | C13 | C12 | H6 | 121.1° | 123.0° |
| C14 | C13 | C12 | H7 | 121.1° | 121.3° |
| C13 | C14 | N17 | C18 | 102.9° | 146.9° |
| C13 | C14 | N17 | C23 | 71.5° | 32.3° |
| C14 | C13 | C12 | H4 | 164.6° | 167.7° |
| C14 | C13 | C12 | H5 | 74.3° | 74.5° |
| C14 | C13 | H6 | H7 | 116.6° | 117.0° |
| C13 | C14 | C15 | H8 | 162.1° | 170.3° |
| C13 | C14 | C15 | H9 | 79.5° | 70.7° |
| C13 | C14 | C21 | H16 | 161.0° | 60.4° |
| C13 | C14 | C21 | H17 | 42.3° | 60.2° |
| C9 | C8 | N7 | C4 | 4.2° | 0.1° |
| C9 | C8 | N7 | H26 | 180.0° | 179.9° |
| C19 | C18 | N17 | O22 | 179.6° | 178.7° |
| C19 | C18 | N17 | C23 | 177.5° | 168.0° |
| C18 | C19 | H12 | H13 | 117.9° | 119.6° |
| C18 | C19 | C20 | H14 | 73.9° | 72.3° |
| C18 | C19 | C20 | H15 | 165.5° | 167.4° |
| C13 | C12 | H4 | H5 | 121.6° | 120.8° |
| C12 | C13 | H6 | H7 | 116.6° | 117.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | N7 | 178.9° | 180.0° |
| C3 | C2 | C1 | H1 | 179.5° | 180.0° |
| C18 | N17 | C23 | C24 | 82.2° | 83.4° |
| N17 | C18 | C19 | H12 | 140.0° | 140.7° |
| N17 | C18 | C19 | H13 | 101.4° | 99.8° |
| C18 | N17 | C23 | H18 | 156.8° | 156.6° |
| C18 | N17 | C23 | H19 | 38.9° | 36.6° |
| N17 | C23 | C24 | H18 | 121.1° | 120.0° |
| N17 | C23 | C24 | H19 | 121.1° | 120.0° |
| N17 | C23 | C24 | C25 | 172.8° | 83.5° |
| C23 | N17 | C18 | O22 | 2.9° | 10.7° |
| N17 | C23 | H18 | H19 | 116.6° | 120.0° |
| C23 | C24 | C25 | C26 | 179.0° | 179.9° |
| C24 | C23 | H18 | H19 | 116.6° | 120.0° |
| C23 | C24 | C25 | H20 | 1.0° | 0.0° |
| C23 | C24 | C29 | H24 | 0.5° | 0.2° |
| C24 | C25 | C26 | H20 | 180.0° | 180.0° |
| C25 | C24 | C23 | H18 | 66.1° | 156.4° |
| C25 | C24 | C23 | H19 | 51.7° | 36.5° |
| C24 | C25 | C26 | H21 | 177.5° | 180.0° |
| C25 | C24 | C29 | H24 | 179.2° | 180.0° |
| C3 | C4 | N7 | C8 | 179.4° | 180.0° |
| C4 | C3 | C2 | H2 | 179.3° | 179.9° |
| N7 | C4 | C3 | H3 | 1.1° | 0.0° |
| C4 | N7 | C8 | H26 | 175.8° | 180.0° |
| O22 | C18 | C19 | H12 | 40.4° | 40.6° |
| O22 | C18 | C19 | H13 | 78.3° | 78.9° |
| C25 | C26 | C27 | H22 | 178.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.5° | 0.0° |
| H1 | C1 | C6 | H25 | 1.8° | 0.2° |
| H2 | C2 | C3 | H3 | 0.7° | 0.0° |
| H4 | C12 | C13 | H6 | 74.3° | 69.2° |
| H4 | C12 | C13 | H7 | 43.5° | 46.4° |
| H5 | C12 | C13 | H6 | 46.8° | 48.5° |
| H5 | C12 | C13 | H7 | 164.6° | 164.2° |
| H8 | C15 | C16 | H10 | 63.7° | 59.5° |
| H8 | C15 | C16 | H11 | 58.1° | 60.5° |
| H9 | C15 | C16 | H10 | 54.7° | 178.3° |
| H9 | C15 | C16 | H11 | 176.5° | 58.3° |
| H12 | C19 | C20 | H14 | 46.8° | 48.0° |
| H12 | C19 | C20 | H15 | 73.8° | 72.3° |
| H13 | C19 | C20 | H14 | 165.5° | 167.5° |
| H13 | C19 | C20 | H15 | 44.8° | 47.1° |
| H14 | C20 | C21 | H16 | 179.8° | 169.8° |
| H14 | C20 | C21 | H17 | 61.0° | 67.7° |
| H15 | C20 | C21 | H16 | 59.1° | 69.4° |
| H15 | C20 | C21 | H17 | 59.6° | 53.2° |
| H20 | C25 | C26 | H21 | 2.5° | 0.1° |
| H21 | C26 | C27 | H22 | 1.1° | 0.1° |
| H22 | C27 | C28 | H23 | 0.4° | 0.3° |
| H23 | C28 | C29 | H24 | 0.6° | 0.6° |
