A1H68
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | O2 | doub | 1.21Å | 1.22Å | |
| C6 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | O3 | doub | 1.21Å | 1.19Å | |
| C12 | O4 | sing | 1.34Å | 1.34Å | |
| O4 | C13 | sing | 1.45Å | 1.46Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| N3 | C16 | sing | 1.47Å | 1.47Å | |
| N3 | C17 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C4 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | O5 | sing | 1.36Å | 1.36Å | |
| O5 | C26 | sing | 1.43Å | 1.42Å | |
| C25 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | O6 | sing | 1.36Å | 1.38Å | |
| O6 | C28 | sing | 1.43Å | 1.43Å | |
| C2 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| C14 | C17 | doub | 1.35Å | 1.36Å | Aromatic |
| C18 | C23 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 118.5° | 117.0° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H1 | 109.4° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C2 | C3 | 126.1° | 120.1° |
| O1 | C2 | C27 | 113.6° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.1° |
| C3 | C2 | C27 | 120.2° | 119.9° |
| C2 | C3 | H4 | 119.9° | 119.9° |
| C3 | C4 | C5 | 119.5° | 119.9° |
| C3 | C4 | C24 | 120.4° | 120.2° |
| C4 | C3 | H4 | 119.9° | 119.9° |
| C4 | C5 | C6 | 108.5° | 109.4° |
| C4 | C5 | C18 | 110.5° | 109.4° |
| C5 | C4 | C24 | 120.1° | 119.9° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| C5 | C6 | O2 | 117.8° | 120.0° |
| C5 | C6 | N1 | 121.2° | 120.0° |
| C6 | C5 | C18 | 110.7° | 109.5° |
| C6 | C5 | H5 | 109.1° | 109.5° |
| O2 | C6 | N1 | 120.5° | 120.0° |
| C6 | N1 | C7 | 122.2° | 120.7° |
| C6 | N1 | C11 | 117.6° | 120.6° |
| N1 | C7 | C8 | 117.0° | 108.8° |
| C7 | N1 | C11 | 119.1° | 118.8° |
| N1 | C7 | H7 | 107.5° | 109.5° |
| N1 | C7 | H6 | 107.5° | 109.7° |
| C7 | C8 | C9 | 113.1° | 109.3° |
| C8 | C7 | H7 | 107.6° | 109.6° |
| C8 | C7 | H6 | 107.6° | 109.6° |
| C7 | C8 | H8 | 108.5° | 109.5° |
| C7 | C8 | H9 | 108.5° | 109.5° |
| C8 | C9 | C10 | 109.9° | 109.5° |
| C9 | C8 | H8 | 108.5° | 109.5° |
| C9 | C8 | H9 | 108.6° | 109.5° |
| C8 | C9 | H10 | 109.4° | 109.5° |
| C8 | C9 | H11 | 109.4° | 109.4° |
| C9 | C10 | C11 | 115.1° | 109.3° |
| C10 | C9 | H10 | 109.3° | 109.5° |
| C10 | C9 | H11 | 109.4° | 109.5° |
| C9 | C10 | H12 | 108.1° | 109.5° |
| C9 | C10 | H13 | 108.1° | 109.5° |
| C10 | C11 | C12 | 108.1° | 109.6° |
| C10 | C11 | N1 | 109.6° | 108.9° |
| C10 | C11 | H14 | 108.4° | 109.6° |
| C11 | C10 | H12 | 108.0° | 109.5° |
| C11 | C10 | H13 | 108.0° | 109.5° |
| C11 | C12 | O3 | 123.1° | 120.0° |
| C11 | C12 | O4 | 113.7° | 120.0° |
| C12 | C11 | N1 | 112.9° | 109.6° |
| C12 | C11 | H14 | 108.5° | 109.6° |
| O3 | C12 | O4 | 123.0° | 120.0° |
| C12 | O4 | C13 | 119.1° | 117.0° |
| O4 | C13 | C14 | 108.2° | 109.4° |
| O4 | C13 | H15 | 109.8° | 109.5° |
| O4 | C13 | H16 | 109.8° | 109.5° |
| C13 | C14 | C15 | 126.0° | 126.0° |
| C13 | C14 | C17 | 128.1° | 126.1° |
| C14 | C13 | H15 | 109.8° | 109.4° |
| C14 | C13 | H16 | 109.8° | 109.5° |
| C14 | C15 | N2 | 109.7° | 108.2° |
| C15 | C14 | C17 | 105.7° | 107.9° |
| C14 | C15 | H17 | 125.1° | 125.9° |
| C15 | N2 | N3 | 105.5° | 108.2° |
| N2 | C15 | H17 | 125.2° | 125.9° |
| N2 | N3 | C16 | 120.5° | 126.1° |
| N2 | N3 | C17 | 111.8° | 107.9° |
| C16 | N3 | C17 | 127.7° | 126.0° |
| N3 | C16 | H20 | 109.5° | 109.4° |
| N3 | C16 | H18 | 109.5° | 109.4° |
| N3 | C16 | H19 | 109.5° | 109.5° |
| N3 | C17 | C14 | 107.0° | 107.8° |
| N3 | C17 | H21 | 126.5° | 126.1° |
| C5 | C18 | C19 | 112.6° | 109.4° |
| C5 | C18 | C23 | 109.1° | 109.4° |
| C18 | C5 | H5 | 108.8° | 109.5° |
| C5 | C18 | H22 | 108.4° | 109.5° |
| C18 | C19 | C20 | 112.9° | 109.4° |
| C19 | C18 | C23 | 109.7° | 109.5° |
| C19 | C18 | H22 | 108.6° | 109.5° |
| C18 | C19 | H24 | 108.6° | 109.4° |
| C18 | C19 | H23 | 108.6° | 109.5° |
| C19 | C20 | C21 | 110.3° | 109.5° |
| C20 | C19 | H24 | 108.6° | 109.4° |
| C20 | C19 | H23 | 108.6° | 109.5° |
| C19 | C20 | H25 | 109.3° | 109.5° |
| C19 | C20 | H26 | 109.3° | 109.5° |
| C20 | C21 | C22 | 106.9° | 109.5° |
| C21 | C20 | H25 | 109.3° | 109.4° |
| C21 | C20 | H26 | 109.3° | 109.5° |
| C20 | C21 | H27 | 110.1° | 109.5° |
| C20 | C21 | H28 | 110.1° | 109.5° |
| C21 | C22 | C23 | 112.3° | 109.5° |
| C22 | C21 | H27 | 110.1° | 109.5° |
| C22 | C21 | H28 | 110.1° | 109.5° |
| C21 | C22 | H29 | 108.8° | 109.5° |
| C21 | C22 | H30 | 108.7° | 109.5° |
| C22 | C23 | C18 | 111.4° | 109.5° |
| C23 | C22 | H29 | 108.8° | 109.5° |
| C23 | C22 | H30 | 108.8° | 109.5° |
| C22 | C23 | H32 | 109.0° | 109.5° |
| C22 | C23 | H31 | 109.0° | 109.5° |
| C4 | C24 | C25 | 118.8° | 120.1° |
| C4 | C24 | H33 | 120.6° | 120.0° |
| C24 | C25 | O5 | 124.1° | 120.1° |
| C24 | C25 | C27 | 121.1° | 119.9° |
| C25 | C24 | H33 | 120.6° | 119.9° |
| C25 | O5 | C26 | 119.0° | 117.0° |
| O5 | C25 | C27 | 114.8° | 120.0° |
| O5 | C26 | H36 | 109.5° | 109.4° |
| O5 | C26 | H34 | 109.5° | 109.5° |
| O5 | C26 | H35 | 109.5° | 109.5° |
| C25 | C27 | O6 | 122.2° | 120.1° |
| C25 | C27 | C2 | 119.2° | 119.8° |
| C27 | O6 | C28 | 117.6° | 117.1° |
| O6 | C27 | C2 | 118.5° | 120.1° |
| O6 | C28 | H39 | 109.5° | 109.5° |
| O6 | C28 | H37 | 109.5° | 109.5° |
| O6 | C28 | H38 | 109.5° | 109.5° |
| N1 | C11 | H14 | 109.3° | 109.6° |
| C14 | C17 | H21 | 126.5° | 126.1° |
| C23 | C18 | H22 | 108.4° | 109.5° |
| C18 | C23 | H32 | 109.0° | 109.5° |
| C18 | C23 | H31 | 109.0° | 109.5° |
| H7 | C7 | H6 | 109.5° | 109.6° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H20 | C16 | H18 | 109.5° | 109.5° |
| H20 | C16 | H19 | 109.4° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H24 | C19 | H23 | 109.4° | 109.6° |
| H25 | C20 | H26 | 109.5° | 109.4° |
| H27 | C21 | H28 | 109.5° | 109.4° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H32 | C23 | H31 | 109.5° | 109.4° |
| H36 | C26 | H34 | 109.5° | 109.5° |
| H36 | C26 | H35 | 109.4° | 109.4° |
| H34 | C26 | H35 | 109.5° | 109.5° |
| H39 | C28 | H37 | 109.5° | 109.5° |
| H39 | C28 | H38 | 109.5° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 7.4° | 0.0° |
| C1 | O1 | C2 | C27 | 174.3° | 180.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.1° |
| O1 | C2 | C3 | C27 | 178.2° | 180.0° |
| O1 | C2 | C3 | C4 | 179.7° | 180.0° |
| O1 | C2 | C27 | C25 | 179.8° | 179.7° |
| O1 | C2 | C27 | O6 | 2.0° | 0.0° |
| O1 | C2 | C3 | H4 | 0.3° | 0.0° |
| C2 | O1 | C1 | H3 | 180.0° | 180.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.1° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.7° | 180.0° |
| C2 | C3 | C4 | C24 | 2.0° | 0.3° |
| C3 | C2 | C27 | C25 | 1.3° | 0.3° |
| C3 | C2 | C27 | O6 | 176.5° | 180.0° |
| C3 | C4 | C5 | C24 | 178.3° | 179.7° |
| C3 | C4 | C5 | C6 | 123.9° | 59.7° |
| C3 | C4 | C5 | C18 | 114.4° | 60.2° |
| C3 | C4 | C24 | C25 | 1.2° | 0.3° |
| C4 | C3 | C2 | C27 | 2.0° | 0.0° |
| C3 | C4 | C5 | H5 | 5.1° | 179.7° |
| C3 | C4 | C24 | H33 | 178.8° | 179.7° |
| C4 | C5 | C6 | C18 | 121.5° | 119.9° |
| C4 | C5 | C6 | H5 | 118.8° | 120.0° |
| C4 | C5 | C6 | O2 | 90.8° | 85.2° |
| C4 | C5 | C6 | N1 | 81.8° | 94.8° |
| C4 | C5 | C18 | H5 | 119.8° | 120.0° |
| C4 | C5 | C18 | C19 | 53.5° | 64.7° |
| C5 | C4 | C24 | C25 | 179.5° | 180.0° |
| C4 | C5 | C18 | C23 | 175.5° | 175.4° |
| C5 | C4 | C3 | H4 | 0.3° | 0.0° |
| C4 | C5 | C18 | H22 | 66.7° | 55.3° |
| C5 | C4 | C24 | H33 | 0.5° | 0.0° |
| C5 | C6 | O2 | N1 | 172.7° | 180.0° |
| C5 | C6 | N1 | C7 | 0.6° | 3.9° |
| C6 | C5 | C18 | H5 | 119.9° | 120.1° |
| C6 | C5 | C18 | C19 | 173.9° | 175.4° |
| C6 | C5 | C4 | C24 | 57.8° | 120.0° |
| C5 | C6 | N1 | C11 | 168.5° | 176.1° |
| C6 | C5 | C18 | C23 | 64.1° | 55.4° |
| C6 | C5 | C18 | H22 | 53.7° | 64.6° |
| O2 | C6 | N1 | C7 | 171.8° | 176.1° |
| O2 | C6 | C5 | C18 | 30.7° | 34.7° |
| O2 | C6 | N1 | C11 | 3.9° | 3.8° |
| O2 | C6 | C5 | H5 | 150.4° | 154.8° |
| C6 | N1 | C7 | C11 | 167.7° | 180.0° |
| C6 | N1 | C7 | C8 | 155.9° | 126.4° |
| C6 | N1 | C11 | C10 | 151.5° | 126.5° |
| C6 | N1 | C11 | C12 | 88.0° | 6.6° |
| N1 | C6 | C5 | C18 | 156.7° | 145.2° |
| N1 | C6 | C5 | H5 | 37.0° | 25.2° |
| C6 | N1 | C11 | H14 | 32.8° | 113.7° |
| C6 | N1 | C7 | H7 | 34.9° | 6.6° |
| C6 | N1 | C7 | H6 | 83.0° | 113.7° |
| N1 | C7 | C8 | H7 | 121.0° | 119.7° |
| N1 | C7 | C8 | H6 | 121.1° | 119.9° |
| N1 | C7 | C8 | C9 | 39.6° | 54.7° |
| C7 | N1 | C11 | C10 | 40.2° | 53.5° |
| C7 | N1 | C11 | C12 | 80.3° | 173.4° |
| C7 | N1 | C11 | H14 | 158.9° | 66.3° |
| N1 | C7 | H7 | H6 | 116.6° | 120.4° |
| N1 | C7 | C8 | H8 | 80.9° | 174.6° |
| N1 | C7 | C8 | H9 | 160.1° | 65.3° |
| C7 | C8 | C9 | H8 | 120.5° | 119.9° |
| C7 | C8 | C9 | H9 | 120.5° | 119.9° |
| C7 | C8 | C9 | C10 | 49.0° | 61.4° |
| C8 | C7 | N1 | C11 | 36.3° | 53.6° |
| C8 | C7 | H7 | H6 | 116.7° | 120.3° |
| C7 | C8 | H8 | H9 | 118.3° | 120.1° |
| C7 | C8 | C9 | H10 | 169.1° | 58.6° |
| C7 | C8 | C9 | H11 | 71.1° | 178.6° |
| C8 | C9 | C10 | H10 | 120.0° | 120.0° |
| C8 | C9 | C10 | H11 | 120.1° | 120.0° |
| C8 | C9 | C10 | C11 | 57.4° | 61.3° |
| C9 | C8 | C7 | H7 | 160.7° | 174.4° |
| C9 | C8 | C7 | H6 | 81.5° | 65.3° |
| C9 | C8 | H8 | H9 | 118.4° | 120.1° |
| C8 | C9 | H10 | H11 | 119.8° | 120.0° |
| C8 | C9 | C10 | H12 | 63.4° | 58.7° |
| C8 | C9 | C10 | H13 | 178.2° | 178.8° |
| C9 | C10 | C11 | H12 | 120.8° | 120.0° |
| C9 | C10 | C11 | H13 | 120.8° | 119.9° |
| C9 | C10 | C11 | C12 | 71.7° | 174.4° |
| C9 | C10 | C11 | N1 | 51.7° | 54.6° |
| C9 | C10 | C11 | H14 | 170.9° | 65.3° |
| C10 | C9 | C8 | H8 | 71.5° | 178.7° |
| C10 | C9 | C8 | H9 | 169.5° | 58.5° |
| C10 | C9 | H10 | H11 | 119.8° | 120.0° |
| C9 | C10 | H12 | H13 | 117.5° | 120.0° |
| C10 | C11 | C12 | N1 | 121.3° | 119.4° |
| C10 | C11 | C12 | H14 | 117.4° | 120.3° |
| C10 | C11 | C12 | O3 | 43.8° | 53.8° |
| C10 | C11 | C12 | O4 | 132.3° | 126.2° |
| C10 | C11 | N1 | H14 | 118.7° | 119.8° |
| C11 | C10 | C9 | H10 | 177.4° | 58.7° |
| C11 | C10 | C9 | H11 | 62.7° | 178.7° |
| C11 | C10 | H12 | H13 | 117.4° | 120.1° |
| C11 | C12 | O3 | O4 | 175.8° | 180.0° |
| C11 | C12 | O4 | C13 | 177.0° | 180.0° |
| C12 | C11 | N1 | H14 | 120.8° | 120.3° |
| C12 | C11 | C10 | H12 | 167.5° | 54.4° |
| C12 | C11 | C10 | H13 | 49.1° | 65.6° |
| O3 | C12 | O4 | C13 | 0.8° | 0.0° |
| O3 | C12 | C11 | N1 | 165.2° | 65.6° |
| O3 | C12 | C11 | H14 | 73.6° | 174.1° |
| C12 | O4 | C13 | C14 | 93.3° | 180.0° |
| O4 | C12 | C11 | N1 | 11.0° | 114.4° |
| O4 | C12 | C11 | H14 | 110.3° | 5.9° |
| C12 | O4 | C13 | H15 | 146.9° | 60.1° |
| C12 | O4 | C13 | H16 | 26.5° | 60.0° |
| O4 | C13 | C14 | H15 | 119.8° | 119.9° |
| O4 | C13 | C14 | H16 | 119.8° | 120.0° |
| O4 | C13 | C14 | C15 | 64.6° | 90.1° |
| O4 | C13 | C14 | C17 | 110.1° | 90.3° |
| O4 | C13 | H15 | H16 | 120.6° | 120.1° |
| C13 | C14 | C15 | C17 | 175.6° | 179.7° |
| C13 | C14 | C15 | N2 | 179.4° | 179.7° |
| C13 | C14 | C17 | N3 | 179.8° | 179.7° |
| C14 | C13 | H15 | H16 | 120.6° | 120.0° |
| C13 | C14 | C15 | H17 | 0.6° | 0.4° |
| C13 | C14 | C17 | H21 | 0.2° | 0.3° |
| C14 | C15 | N2 | H17 | 180.0° | 179.9° |
| C14 | C15 | N2 | N3 | 1.6° | 0.0° |
| C15 | C14 | C17 | N3 | 4.4° | 0.0° |
| C15 | C14 | C13 | H15 | 55.3° | 150.0° |
| C15 | C14 | C13 | H16 | 175.6° | 29.9° |
| C15 | C14 | C17 | H21 | 175.7° | 180.0° |
| C15 | N2 | N3 | C16 | 179.3° | 180.0° |
| C15 | N2 | N3 | C17 | 1.2° | 0.0° |
| N2 | C15 | C14 | C17 | 3.7° | 0.0° |
| N2 | N3 | C16 | C17 | 177.7° | 180.0° |
| N2 | N3 | C17 | C14 | 3.6° | 0.0° |
| N3 | N2 | C15 | H17 | 178.4° | 179.9° |
| N2 | N3 | C16 | H20 | 0.0° | 90.0° |
| N2 | N3 | C16 | H18 | 120.0° | 150.0° |
| N2 | N3 | C16 | H19 | 120.0° | 30.0° |
| N2 | N3 | C17 | H21 | 176.4° | 180.0° |
| C16 | N3 | C17 | C14 | 178.5° | 180.0° |
| N3 | C16 | H20 | H18 | 120.0° | 119.9° |
| N3 | C16 | H20 | H19 | 120.0° | 120.0° |
| N3 | C16 | H18 | H19 | 120.0° | 120.0° |
| C16 | N3 | C17 | H21 | 1.5° | 0.0° |
| N3 | C17 | C14 | H21 | 180.0° | 180.0° |
| C17 | N3 | C16 | H20 | 177.7° | 90.0° |
| C17 | N3 | C16 | H18 | 62.3° | 30.0° |
| C17 | N3 | C16 | H19 | 57.7° | 150.0° |
| C5 | C18 | C19 | C23 | 121.7° | 119.9° |
| C5 | C18 | C19 | H22 | 120.0° | 120.0° |
| C5 | C18 | C19 | C20 | 171.7° | 180.0° |
| C5 | C18 | C23 | C22 | 175.2° | 180.0° |
| C18 | C5 | C4 | C24 | 63.8° | 120.0° |
| C5 | C18 | C23 | H22 | 117.8° | 120.0° |
| C5 | C18 | C19 | H24 | 67.7° | 60.1° |
| C5 | C18 | C19 | H23 | 51.2° | 60.0° |
| C5 | C18 | C23 | H32 | 64.5° | 59.9° |
| C5 | C18 | C23 | H31 | 54.9° | 60.0° |
| C18 | C19 | C20 | H24 | 120.5° | 119.9° |
| C18 | C19 | C20 | H23 | 120.5° | 120.0° |
| C18 | C19 | C20 | C21 | 56.0° | 60.0° |
| C19 | C18 | C23 | C22 | 51.4° | 60.1° |
| C19 | C18 | C23 | H22 | 118.4° | 120.1° |
| C19 | C18 | C5 | H5 | 66.2° | 55.3° |
| C18 | C19 | H24 | H23 | 118.4° | 120.0° |
| C18 | C19 | C20 | H25 | 64.1° | 60.0° |
| C18 | C19 | C20 | H26 | 176.1° | 180.0° |
| C19 | C18 | C23 | H32 | 171.7° | 60.0° |
| C19 | C18 | C23 | H31 | 68.8° | 180.0° |
| C19 | C20 | C21 | H25 | 120.1° | 120.0° |
| C19 | C20 | C21 | H26 | 120.1° | 120.1° |
| C19 | C20 | C21 | C22 | 59.9° | 60.0° |
| C20 | C19 | C18 | C23 | 50.1° | 60.0° |
| C20 | C19 | C18 | H22 | 68.2° | 60.1° |
| C20 | C19 | H24 | H23 | 118.4° | 120.0° |
| C19 | C20 | H25 | H26 | 119.6° | 120.0° |
| C19 | C20 | C21 | H27 | 179.5° | 180.0° |
| C19 | C20 | C21 | H28 | 59.7° | 60.0° |
| C20 | C21 | C22 | H27 | 119.6° | 120.0° |
| C20 | C21 | C22 | H28 | 119.6° | 120.0° |
| C20 | C21 | C22 | C23 | 63.6° | 60.0° |
| C21 | C20 | C19 | H24 | 176.5° | 179.9° |
| C21 | C20 | C19 | H23 | 64.5° | 60.0° |
| C21 | C20 | H25 | H26 | 119.6° | 120.0° |
| C20 | C21 | H27 | H28 | 121.2° | 120.0° |
| C20 | C21 | C22 | H29 | 56.8° | 60.0° |
| C20 | C21 | C22 | H30 | 176.0° | 180.0° |
| C21 | C22 | C23 | H29 | 120.4° | 120.0° |
| C21 | C22 | C23 | H30 | 120.4° | 120.0° |
| C21 | C22 | C23 | C18 | 60.4° | 60.0° |
| C22 | C21 | C20 | H25 | 60.2° | 60.0° |
| C22 | C21 | C20 | H26 | 180.0° | 179.9° |
| C22 | C21 | H27 | H28 | 121.2° | 120.0° |
| C21 | C22 | H29 | H30 | 118.7° | 119.9° |
| C21 | C22 | C23 | H32 | 179.3° | 60.0° |
| C21 | C22 | C23 | H31 | 59.9° | 180.0° |
| C22 | C23 | C18 | H32 | 120.3° | 120.0° |
| C22 | C23 | C18 | H31 | 120.3° | 120.0° |
| C22 | C23 | C18 | H22 | 67.0° | 60.0° |
| C23 | C22 | C21 | H27 | 176.8° | 180.0° |
| C23 | C22 | C21 | H28 | 56.0° | 60.1° |
| C23 | C22 | H29 | H30 | 118.7° | 120.0° |
| C22 | C23 | H32 | H31 | 119.1° | 120.0° |
| C4 | C24 | C25 | H33 | 180.0° | 180.0° |
| C4 | C24 | C25 | O5 | 179.7° | 180.0° |
| C4 | C24 | C25 | C27 | 0.6° | 0.0° |
| C24 | C4 | C5 | H5 | 176.6° | 0.0° |
| C24 | C4 | C3 | H4 | 178.0° | 179.7° |
| C24 | C25 | O5 | C27 | 179.8° | 180.0° |
| C24 | C25 | O5 | C26 | 13.5° | 0.1° |
| C24 | C25 | C27 | O6 | 177.1° | 180.0° |
| C24 | C25 | C27 | C2 | 0.6° | 0.3° |
| O5 | C25 | C27 | O6 | 2.7° | 0.0° |
| O5 | C25 | C27 | C2 | 179.6° | 179.7° |
| O5 | C25 | C24 | H33 | 0.3° | 0.0° |
| C25 | O5 | C26 | H36 | 180.0° | 60.0° |
| C25 | O5 | C26 | H34 | 60.0° | 60.0° |
| C25 | O5 | C26 | H35 | 60.0° | 180.0° |
| C26 | O5 | C25 | C27 | 166.3° | 179.9° |
| O5 | C26 | H36 | H34 | 120.0° | 120.0° |
| O5 | C26 | H36 | H35 | 120.0° | 120.0° |
| O5 | C26 | H34 | H35 | 120.0° | 120.1° |
| C25 | C27 | O6 | C2 | 177.7° | 179.7° |
| C25 | C27 | O6 | C28 | 87.2° | 89.7° |
| C27 | C25 | C24 | H33 | 179.5° | 180.0° |
| C27 | O6 | C28 | H39 | 180.0° | 179.9° |
| C27 | O6 | C28 | H37 | 60.0° | 60.0° |
| C27 | O6 | C28 | H38 | 60.0° | 59.9° |
| C28 | O6 | C27 | C2 | 95.1° | 90.0° |
| O6 | C28 | H39 | H37 | 120.0° | 120.0° |
| O6 | C28 | H39 | H38 | 120.0° | 120.0° |
| O6 | C28 | H37 | H38 | 120.0° | 120.0° |
| C27 | C2 | C3 | H4 | 177.9° | 180.0° |
| C11 | N1 | C7 | H7 | 157.4° | 173.4° |
| C11 | N1 | C7 | H6 | 84.8° | 66.3° |
| N1 | C11 | C10 | H12 | 69.1° | 65.4° |
| N1 | C11 | C10 | H13 | 172.5° | 174.5° |
| C17 | C14 | C13 | H15 | 130.1° | 29.7° |
| C17 | C14 | C13 | H16 | 9.7° | 149.7° |
| C17 | C14 | C15 | H17 | 176.2° | 179.9° |
| C23 | C18 | C5 | H5 | 55.8° | 64.6° |
| C23 | C18 | C19 | H24 | 170.6° | 180.0° |
| C23 | C18 | C19 | H23 | 70.5° | 59.9° |
| C18 | C23 | C22 | H29 | 60.0° | 60.0° |
| C18 | C23 | C22 | H30 | 179.2° | 180.0° |
| C18 | C23 | H32 | H31 | 119.1° | 120.0° |
| H5 | C5 | C18 | H22 | 173.6° | 175.3° |
| H14 | C11 | C10 | H12 | 50.1° | 174.8° |
| H14 | C11 | C10 | H13 | 68.2° | 54.7° |
| H7 | C7 | C8 | H8 | 40.1° | 65.7° |
| H7 | C7 | C8 | H9 | 78.8° | 54.5° |
| H6 | C7 | C8 | H8 | 158.0° | 54.7° |
| H6 | C7 | C8 | H9 | 39.1° | 174.8° |
| H8 | C8 | C9 | H10 | 48.6° | 61.3° |
| H8 | C8 | C9 | H11 | 168.4° | 58.6° |
| H9 | C8 | C9 | H10 | 70.4° | 178.5° |
| H9 | C8 | C9 | H11 | 49.5° | 61.5° |
| H10 | C9 | C10 | H12 | 56.6° | 178.7° |
| H10 | C9 | C10 | H13 | 61.8° | 61.2° |
| H11 | C9 | C10 | H12 | 176.5° | 61.3° |
| H11 | C9 | C10 | H13 | 58.1° | 58.8° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H20 | C16 | H18 | H19 | 119.9° | 120.1° |
| H22 | C18 | C19 | H24 | 52.3° | 59.9° |
| H22 | C18 | C19 | H23 | 171.3° | 180.0° |
| H22 | C18 | C23 | H32 | 53.3° | 179.9° |
| H22 | C18 | C23 | H31 | 172.7° | 60.0° |
| H24 | C19 | C20 | H25 | 56.4° | 60.0° |
| H24 | C19 | C20 | H26 | 63.4° | 60.0° |
| H23 | C19 | C20 | H25 | 175.3° | 180.0° |
| H23 | C19 | C20 | H26 | 55.6° | 60.1° |
| H25 | C20 | C21 | H27 | 59.4° | 60.0° |
| H25 | C20 | C21 | H28 | 179.8° | 180.0° |
| H26 | C20 | C21 | H27 | 60.4° | 59.9° |
| H26 | C20 | C21 | H28 | 60.4° | 60.0° |
| H27 | C21 | C22 | H29 | 62.7° | 60.0° |
| H27 | C21 | C22 | H30 | 56.4° | 59.9° |
| H28 | C21 | C22 | H29 | 176.4° | 179.9° |
| H28 | C21 | C22 | H30 | 64.4° | 60.0° |
| H29 | C22 | C23 | H32 | 60.3° | 179.9° |
| H29 | C22 | C23 | H31 | 179.7° | 60.0° |
| H30 | C22 | C23 | H32 | 58.9° | 60.0° |
| H30 | C22 | C23 | H31 | 60.5° | 60.0° |
| H36 | C26 | H34 | H35 | 120.0° | 119.9° |
| H39 | C28 | H37 | H38 | 120.0° | 120.0° |
