A1A1Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.38Å | 1.45Å | |
| C1 | N2 | sing | 1.37Å | 1.47Å | Aromatic |
| C1 | N3 | doub | 1.31Å | 1.44Å | Aromatic |
| O1 | C11 | doub | 1.21Å | 1.20Å | |
| C2 | C3 | doub | 1.41Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.36Å | 1.47Å | Aromatic |
| C2 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| N2 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| O2 | C9 | doub | 1.21Å | 1.19Å | |
| C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| N4 | C8 | sing | 1.47Å | 1.49Å | |
| N4 | C9 | sing | 1.35Å | 1.43Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C10 | sing | 1.47Å | 1.53Å | |
| N5 | C11 | sing | 1.35Å | 1.43Å | |
| N5 | C23 | sing | 1.47Å | 1.50Å | |
| C6 | C7 | sing | 1.51Å | 1.56Å | |
| C6 | C25 | doub | 1.38Å | 1.44Å | Aromatic |
| N6 | C12 | sing | 1.47Å | 1.56Å | |
| N6 | C22 | sing | 1.47Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.60Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C10 | C24 | sing | 1.54Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.59Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.59Å | |
| C14 | C15 | sing | 1.51Å | 1.59Å | |
| C14 | C21 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.54Å | 1.56Å | |
| C4 | H27 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| N6 | H3 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 127.6° | 125.0° |
| N1 | C1 | N3 | 126.6° | 125.1° |
| C1 | N1 | H6 | 109.5° | 120.0° |
| C1 | N1 | H5 | 109.5° | 120.0° |
| N2 | C1 | N3 | 105.8° | 109.9° |
| C1 | N2 | C3 | 108.2° | 107.2° |
| C1 | N2 | H1 | 125.9° | 126.4° |
| C1 | N3 | C2 | 109.0° | 109.7° |
| O1 | C11 | N5 | 120.2° | 120.0° |
| O1 | C11 | C12 | 117.2° | 120.0° |
| C3 | C2 | N3 | 107.2° | 107.1° |
| C3 | C2 | C25 | 121.7° | 119.5° |
| C2 | C3 | N2 | 109.8° | 106.2° |
| C2 | C3 | C4 | 118.7° | 119.9° |
| N3 | C2 | C25 | 131.0° | 133.4° |
| C2 | C25 | C6 | 120.8° | 119.8° |
| C2 | C25 | H26 | 119.6° | 120.1° |
| N2 | C3 | C4 | 131.4° | 133.9° |
| C3 | N2 | H1 | 125.9° | 126.3° |
| O2 | C9 | N4 | 123.7° | 120.1° |
| O2 | C9 | C10 | 119.2° | 120.0° |
| C3 | C4 | C5 | 118.5° | 119.9° |
| C3 | C4 | H27 | 120.8° | 120.1° |
| C4 | C5 | C6 | 124.3° | 120.4° |
| C5 | C4 | H27 | 120.7° | 120.0° |
| C4 | C5 | H28 | 117.9° | 119.8° |
| C8 | N4 | C9 | 117.9° | 120.0° |
| N4 | C8 | C7 | 112.1° | 109.4° |
| C8 | N4 | H7 | 121.0° | 120.0° |
| N4 | C8 | H32 | 108.8° | 109.5° |
| N4 | C8 | H31 | 108.8° | 109.4° |
| N4 | C9 | C10 | 117.1° | 119.9° |
| C9 | N4 | H7 | 121.0° | 120.1° |
| C5 | C6 | C7 | 126.4° | 119.7° |
| C5 | C6 | C25 | 115.9° | 120.5° |
| C6 | C5 | H28 | 117.9° | 119.8° |
| C10 | N5 | C11 | 127.9° | 136.1° |
| C10 | N5 | C23 | 91.8° | 87.9° |
| N5 | C10 | C9 | 111.3° | 113.4° |
| N5 | C10 | C24 | 89.2° | 88.0° |
| N5 | C10 | H8 | 112.3° | 113.5° |
| C11 | N5 | C23 | 140.3° | 136.0° |
| N5 | C11 | C12 | 122.5° | 120.0° |
| N5 | C23 | C24 | 89.3° | 87.9° |
| N5 | C23 | H22 | 114.2° | 113.4° |
| N5 | C23 | H23 | 114.3° | 113.5° |
| C7 | C6 | C25 | 117.6° | 119.7° |
| C6 | C7 | C8 | 119.7° | 109.4° |
| C6 | C7 | H30 | 106.9° | 109.5° |
| C6 | C7 | H29 | 106.9° | 109.5° |
| C6 | C25 | H26 | 119.6° | 120.1° |
| C12 | N6 | C22 | 109.6° | 111.2° |
| N6 | C12 | C11 | 109.5° | 109.4° |
| N6 | C12 | C13 | 107.4° | 109.5° |
| N6 | C12 | H9 | 109.2° | 109.5° |
| C12 | N6 | H3 | 109.4° | 111.0° |
| N6 | C22 | C21 | 112.7° | 109.5° |
| N6 | C22 | H20 | 108.6° | 109.4° |
| N6 | C22 | H21 | 108.6° | 109.4° |
| C22 | N6 | H3 | 109.5° | 111.0° |
| C8 | C7 | H30 | 106.9° | 109.5° |
| C8 | C7 | H29 | 106.9° | 109.5° |
| C7 | C8 | H32 | 108.8° | 109.5° |
| C7 | C8 | H31 | 108.8° | 109.5° |
| C9 | C10 | C24 | 118.0° | 113.4° |
| C9 | C10 | H8 | 112.0° | 112.7° |
| C10 | C24 | C23 | 89.6° | 83.3° |
| C24 | C10 | H8 | 112.2° | 113.6° |
| C10 | C24 | H25 | 114.2° | 114.2° |
| C10 | C24 | H24 | 114.2° | 114.2° |
| C11 | C12 | C13 | 113.0° | 109.5° |
| C11 | C12 | H9 | 108.8° | 109.4° |
| C12 | C13 | C14 | 122.7° | 109.3° |
| C12 | C13 | H11 | 106.1° | 109.5° |
| C12 | C13 | H10 | 106.1° | 109.5° |
| C13 | C12 | H9 | 108.9° | 109.4° |
| C13 | C14 | C15 | 111.7° | 109.5° |
| C13 | C14 | C21 | 112.2° | 109.2° |
| C13 | C14 | H12 | 106.2° | 109.5° |
| C14 | C13 | H11 | 106.1° | 109.5° |
| C14 | C13 | H10 | 106.1° | 109.6° |
| C15 | C14 | C21 | 113.4° | 109.6° |
| C14 | C15 | C16 | 119.2° | 120.0° |
| C14 | C15 | C20 | 126.0° | 120.0° |
| C15 | C14 | H12 | 106.1° | 109.5° |
| C14 | C21 | C22 | 119.1° | 109.3° |
| C21 | C14 | H12 | 106.6° | 109.5° |
| C14 | C21 | H18 | 107.0° | 109.5° |
| C14 | C21 | H19 | 107.0° | 109.5° |
| C16 | C15 | C20 | 114.8° | 120.0° |
| C15 | C16 | C17 | 123.5° | 120.0° |
| C15 | C16 | H13 | 118.3° | 120.0° |
| C15 | C20 | C19 | 122.6° | 120.0° |
| C15 | C20 | H17 | 118.7° | 119.9° |
| C16 | C17 | C18 | 120.8° | 120.0° |
| C17 | C16 | H13 | 118.3° | 120.0° |
| C16 | C17 | H14 | 119.6° | 120.0° |
| C17 | C18 | C19 | 117.4° | 120.0° |
| C18 | C17 | H14 | 119.6° | 120.0° |
| C17 | C18 | H15 | 121.3° | 120.0° |
| C18 | C19 | C20 | 121.0° | 120.0° |
| C19 | C18 | H15 | 121.3° | 119.9° |
| C18 | C19 | H16 | 119.5° | 120.0° |
| C20 | C19 | H16 | 119.5° | 120.0° |
| C19 | C20 | H17 | 118.7° | 120.0° |
| C21 | C22 | H20 | 108.6° | 109.5° |
| C21 | C22 | H21 | 108.7° | 109.5° |
| C22 | C21 | H18 | 107.0° | 109.5° |
| C22 | C21 | H19 | 107.0° | 109.5° |
| C24 | C23 | H22 | 114.3° | 113.6° |
| C24 | C23 | H23 | 114.2° | 113.4° |
| C23 | C24 | H25 | 114.2° | 114.4° |
| C23 | C24 | H24 | 114.2° | 114.1° |
| H6 | N1 | H5 | 109.5° | 119.9° |
| H30 | C7 | H29 | 109.5° | 109.5° |
| H32 | C8 | H31 | 109.4° | 109.5° |
| H11 | C13 | H10 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 112.8° |
| H25 | C24 | H24 | 109.5° | 113.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | N3 | 179.7° | 179.9° |
| N1 | C1 | N3 | C2 | 180.0° | 180.0° |
| N1 | C1 | N2 | C3 | 179.9° | 179.9° |
| C1 | N1 | H6 | H5 | 120.0° | 179.9° |
| N1 | C1 | N2 | H1 | 0.1° | 0.0° |
| C1 | N2 | C3 | C2 | 0.0° | 0.0° |
| N2 | C1 | N3 | C2 | 0.3° | 0.0° |
| C1 | N2 | C3 | H1 | 180.0° | 179.9° |
| C1 | N2 | C3 | C4 | 180.0° | 180.0° |
| N2 | C1 | N1 | H6 | 179.7° | 0.0° |
| N2 | C1 | N1 | H5 | 60.3° | 180.0° |
| C1 | N3 | C2 | C3 | 0.3° | 0.1° |
| C1 | N3 | C2 | C25 | 180.0° | 179.9° |
| N3 | C1 | N2 | C3 | 0.2° | 0.0° |
| N3 | C1 | N1 | H6 | 0.0° | 179.9° |
| N3 | C1 | N1 | H5 | 120.0° | 0.1° |
| N3 | C1 | N2 | H1 | 179.8° | 179.9° |
| O1 | C11 | N5 | C10 | 0.8° | 0.0° |
| O1 | C11 | N5 | C12 | 179.6° | 180.0° |
| O1 | C11 | N5 | C23 | 179.0° | 179.7° |
| O1 | C11 | C12 | N6 | 6.8° | 20.0° |
| O1 | C11 | C12 | C13 | 126.4° | 100.0° |
| O1 | C11 | C12 | H9 | 112.5° | 140.0° |
| C3 | C2 | N3 | C25 | 179.7° | 180.0° |
| C2 | C3 | N2 | C4 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | C25 | C6 | 0.2° | 0.3° |
| C2 | C3 | C4 | H27 | 179.8° | 179.7° |
| C2 | C3 | N2 | H1 | 180.0° | 180.0° |
| C3 | C2 | C25 | H26 | 179.9° | 180.0° |
| N3 | C2 | C3 | N2 | 0.2° | 0.1° |
| N3 | C2 | C3 | C4 | 179.9° | 180.0° |
| N3 | C2 | C25 | C6 | 179.8° | 179.7° |
| N3 | C2 | C25 | H26 | 0.2° | 0.0° |
| C25 | C2 | C3 | N2 | 179.9° | 179.9° |
| C25 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C25 | C6 | C5 | 0.2° | 0.6° |
| C2 | C25 | C6 | C7 | 179.6° | 180.0° |
| C2 | C25 | C6 | H26 | 180.0° | 179.7° |
| N2 | C3 | C4 | C5 | 179.9° | 180.0° |
| N2 | C3 | C4 | H27 | 0.1° | 0.2° |
| O2 | C9 | N4 | C8 | 0.2° | 0.0° |
| O2 | C9 | N4 | C10 | 178.4° | 180.0° |
| O2 | C9 | C10 | N5 | 58.7° | 0.0° |
| O2 | C9 | C10 | C24 | 42.3° | 98.4° |
| O2 | C9 | N4 | H7 | 179.8° | 180.0° |
| O2 | C9 | C10 | H8 | 174.8° | 130.7° |
| C3 | C4 | C5 | H27 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C3 | C4 | C5 | H28 | 179.8° | 179.7° |
| C4 | C3 | N2 | H1 | 0.1° | 0.1° |
| C4 | C5 | C6 | H28 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.5° | 179.9° |
| C4 | C5 | C6 | C25 | 0.2° | 0.5° |
| C8 | N4 | C9 | H7 | 180.0° | 180.0° |
| N4 | C8 | C7 | C6 | 102.1° | 180.0° |
| N4 | C8 | C7 | H32 | 120.4° | 120.0° |
| N4 | C8 | C7 | H31 | 120.4° | 119.9° |
| C8 | N4 | C9 | C10 | 178.2° | 180.0° |
| N4 | C8 | C7 | H30 | 19.3° | 60.0° |
| N4 | C8 | C7 | H29 | 136.4° | 60.1° |
| N4 | C8 | H32 | H31 | 118.8° | 120.0° |
| N4 | C9 | C10 | N5 | 119.8° | 180.0° |
| C9 | N4 | C8 | C7 | 71.6° | 180.0° |
| N4 | C9 | C10 | C24 | 139.2° | 81.6° |
| C9 | N4 | C8 | H32 | 168.0° | 60.0° |
| C9 | N4 | C8 | H31 | 48.8° | 60.0° |
| N4 | C9 | C10 | H8 | 6.8° | 49.3° |
| C5 | C6 | C7 | C25 | 179.3° | 179.4° |
| C5 | C6 | C7 | C8 | 34.7° | 90.5° |
| C6 | C5 | C4 | H27 | 179.8° | 180.0° |
| C5 | C6 | C7 | H30 | 156.1° | 29.4° |
| C5 | C6 | C7 | H29 | 86.8° | 149.5° |
| C5 | C6 | C25 | H26 | 179.8° | 179.8° |
| C10 | N5 | C11 | C23 | 178.1° | 179.6° |
| N5 | C10 | C9 | C24 | 101.0° | 98.4° |
| N5 | C10 | C9 | H8 | 126.5° | 130.7° |
| N5 | C10 | C24 | H8 | 113.8° | 114.8° |
| C10 | N5 | C11 | C12 | 179.5° | 180.0° |
| C10 | N5 | C23 | C24 | 1.2° | 27.3° |
| C10 | N5 | C23 | H22 | 117.7° | 87.6° |
| C10 | N5 | C23 | H23 | 115.2° | 141.9° |
| N5 | C10 | C24 | H25 | 117.7° | 87.5° |
| N5 | C10 | C24 | H24 | 115.3° | 139.6° |
| N5 | C11 | C12 | N6 | 172.9° | 160.0° |
| C11 | N5 | C10 | C9 | 60.1° | 38.2° |
| C11 | N5 | C10 | C24 | 180.0° | 152.9° |
| N5 | C11 | C12 | C13 | 53.3° | 80.0° |
| C11 | N5 | C23 | C24 | 179.7° | 152.9° |
| N5 | C11 | C12 | H9 | 67.9° | 40.0° |
| C11 | N5 | C10 | H8 | 66.2° | 92.2° |
| C11 | N5 | C23 | H22 | 63.8° | 92.1° |
| C11 | N5 | C23 | H23 | 63.3° | 38.3° |
| C23 | N5 | C10 | C9 | 118.6° | 142.1° |
| C23 | N5 | C11 | C12 | 1.4° | 0.3° |
| N5 | C23 | C24 | H22 | 116.4° | 114.7° |
| N5 | C23 | C24 | H23 | 116.4° | 114.8° |
| C23 | N5 | C10 | H8 | 115.0° | 87.6° |
| N5 | C23 | H22 | H23 | 129.6° | 130.8° |
| N5 | C23 | C24 | H25 | 117.7° | 87.4° |
| N5 | C23 | C24 | H24 | 115.3° | 139.8° |
| C6 | C7 | C8 | H30 | 121.4° | 119.9° |
| C6 | C7 | C8 | H29 | 121.4° | 120.0° |
| C6 | C7 | H30 | H29 | 115.4° | 120.0° |
| C7 | C6 | C5 | H28 | 0.5° | 0.0° |
| C6 | C7 | C8 | H32 | 18.2° | 60.0° |
| C6 | C7 | C8 | H31 | 137.4° | 60.0° |
| C7 | C6 | C25 | H26 | 0.4° | 0.3° |
| C25 | C6 | C7 | C8 | 146.1° | 90.0° |
| C25 | C6 | C7 | H30 | 24.6° | 150.0° |
| C25 | C6 | C7 | H29 | 92.5° | 30.0° |
| C25 | C6 | C5 | H28 | 179.8° | 179.4° |
| C12 | N6 | C22 | H3 | 120.0° | 124.1° |
| N6 | C12 | C11 | C13 | 119.6° | 120.1° |
| N6 | C12 | C11 | H9 | 119.2° | 120.0° |
| N6 | C12 | C13 | H9 | 118.1° | 120.0° |
| N6 | C12 | C13 | C14 | 16.6° | 59.1° |
| C12 | N6 | C22 | C21 | 63.9° | 61.7° |
| N6 | C12 | C13 | H11 | 138.5° | 60.8° |
| N6 | C12 | C13 | H10 | 105.2° | 179.2° |
| C12 | N6 | C22 | H20 | 175.6° | 58.2° |
| C12 | N6 | C22 | H21 | 56.6° | 178.2° |
| C22 | N6 | C12 | C11 | 178.2° | 178.2° |
| C22 | N6 | C12 | C13 | 58.8° | 61.7° |
| N6 | C22 | C21 | C14 | 21.3° | 59.1° |
| N6 | C22 | C21 | H20 | 120.5° | 120.0° |
| N6 | C22 | C21 | H21 | 120.5° | 120.0° |
| C22 | N6 | C12 | H9 | 59.2° | 58.3° |
| N6 | C22 | H20 | H21 | 118.5° | 120.0° |
| N6 | C22 | C21 | H18 | 142.6° | 179.2° |
| N6 | C22 | C21 | H19 | 100.1° | 60.8° |
| C8 | C7 | H30 | H29 | 115.4° | 120.1° |
| C7 | C8 | N4 | H7 | 108.4° | 0.0° |
| C7 | C8 | H32 | H31 | 118.8° | 120.1° |
| C9 | C10 | C24 | H8 | 132.4° | 130.5° |
| C9 | C10 | C24 | C23 | 112.6° | 141.0° |
| C10 | C9 | N4 | H7 | 1.8° | 0.0° |
| C9 | C10 | C24 | H25 | 3.8° | 27.2° |
| C9 | C10 | C24 | H24 | 130.9° | 105.6° |
| C10 | C24 | C23 | H25 | 116.5° | 113.6° |
| C10 | C24 | C23 | H24 | 116.5° | 113.5° |
| C10 | C24 | C23 | H22 | 117.6° | 88.5° |
| C10 | C24 | C23 | H23 | 115.2° | 141.0° |
| C10 | C24 | H25 | H24 | 129.5° | 133.2° |
| C11 | C12 | C13 | H9 | 121.0° | 120.0° |
| C11 | C12 | C13 | C14 | 137.5° | 179.1° |
| C11 | C12 | C13 | H11 | 100.7° | 59.2° |
| C11 | C12 | C13 | H10 | 15.6° | 60.8° |
| C11 | C12 | N6 | H3 | 61.8° | 57.7° |
| C12 | C13 | C14 | H11 | 121.8° | 119.9° |
| C12 | C13 | C14 | H10 | 121.8° | 120.0° |
| C12 | C13 | C14 | C15 | 106.4° | 177.6° |
| C12 | C13 | C14 | C21 | 22.2° | 57.6° |
| C12 | C13 | C14 | H12 | 138.4° | 62.3° |
| C12 | C13 | H11 | H10 | 114.0° | 120.1° |
| C13 | C12 | N6 | H3 | 61.3° | 62.4° |
| C13 | C14 | C15 | C21 | 128.0° | 119.8° |
| C13 | C14 | C15 | H12 | 115.3° | 120.1° |
| C13 | C14 | C21 | H12 | 115.9° | 119.9° |
| C13 | C14 | C15 | C16 | 100.9° | 120.3° |
| C13 | C14 | C15 | C20 | 78.1° | 59.7° |
| C13 | C14 | C21 | C22 | 19.7° | 57.6° |
| C14 | C13 | H11 | H10 | 114.0° | 120.1° |
| C14 | C13 | C12 | H9 | 101.5° | 60.9° |
| C13 | C14 | C21 | H18 | 101.7° | 177.6° |
| C13 | C14 | C21 | H19 | 141.1° | 62.3° |
| C15 | C14 | C21 | H12 | 116.4° | 120.1° |
| C14 | C15 | C16 | C20 | 179.1° | 180.0° |
| C14 | C15 | C16 | C17 | 179.5° | 180.0° |
| C14 | C15 | C20 | C19 | 179.6° | 179.5° |
| C15 | C14 | C21 | C22 | 108.0° | 177.6° |
| C14 | C15 | C16 | H13 | 0.5° | 0.2° |
| C15 | C14 | C13 | H11 | 131.8° | 57.7° |
| C15 | C14 | C13 | H10 | 15.5° | 62.4° |
| C14 | C15 | C20 | H17 | 0.4° | 0.0° |
| C15 | C14 | C21 | H18 | 130.7° | 62.4° |
| C15 | C14 | C21 | H19 | 13.4° | 57.7° |
| C21 | C14 | C15 | C16 | 131.2° | 119.9° |
| C21 | C14 | C15 | C20 | 49.8° | 60.0° |
| C14 | C21 | C22 | H18 | 121.3° | 120.0° |
| C14 | C21 | C22 | H19 | 121.4° | 119.9° |
| C21 | C14 | C13 | H11 | 99.6° | 62.3° |
| C21 | C14 | C13 | H10 | 144.1° | 177.6° |
| C14 | C21 | C22 | H20 | 141.7° | 60.8° |
| C14 | C21 | C22 | H21 | 99.2° | 179.1° |
| C14 | C21 | H18 | H19 | 115.6° | 120.1° |
| C15 | C16 | C17 | H13 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 0.0° | 0.2° |
| C16 | C15 | C20 | C19 | 0.6° | 0.6° |
| C16 | C15 | C14 | H12 | 14.5° | 0.2° |
| C15 | C16 | C17 | H14 | 180.0° | 179.7° |
| C16 | C15 | C20 | H17 | 179.5° | 179.9° |
| C20 | C15 | C16 | C17 | 0.4° | 0.1° |
| C15 | C20 | C19 | C18 | 0.3° | 0.9° |
| C15 | C20 | C19 | H17 | 180.0° | 179.5° |
| C20 | C15 | C16 | H13 | 179.6° | 179.8° |
| C20 | C15 | C14 | H12 | 166.5° | 179.9° |
| C15 | C20 | C19 | H16 | 179.7° | 179.8° |
| C16 | C17 | C18 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C16 | C17 | C18 | H15 | 179.8° | 179.9° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.6° |
| C18 | C17 | C16 | H13 | 180.0° | 180.0° |
| C17 | C18 | C19 | H16 | 179.9° | 180.0° |
| C18 | C19 | C20 | H16 | 180.0° | 179.4° |
| C19 | C18 | C17 | H14 | 179.8° | 180.0° |
| C18 | C19 | C20 | H17 | 179.7° | 179.6° |
| C20 | C19 | C18 | H15 | 179.9° | 179.4° |
| C22 | C21 | C14 | H12 | 135.6° | 62.3° |
| C21 | C22 | H20 | H21 | 118.5° | 120.0° |
| C22 | C21 | H18 | H19 | 115.7° | 120.0° |
| C21 | C22 | N6 | H3 | 56.1° | 62.4° |
| C23 | C24 | C10 | H8 | 115.0° | 88.6° |
| C24 | C23 | H22 | H23 | 129.5° | 130.8° |
| C23 | C24 | H25 | H24 | 129.4° | 133.2° |
| H27 | C4 | C5 | H28 | 0.2° | 0.0° |
| H30 | C7 | C8 | H32 | 139.7° | 180.0° |
| H30 | C7 | C8 | H31 | 101.1° | 59.9° |
| H29 | C7 | C8 | H32 | 103.2° | 59.9° |
| H29 | C7 | C8 | H31 | 16.0° | NaN° |
| H13 | C16 | C17 | H14 | 0.0° | 0.1° |
| H7 | N4 | C8 | H32 | 12.0° | 120.0° |
| H7 | N4 | C8 | H31 | 131.2° | 120.0° |
| H12 | C14 | C13 | H11 | 16.5° | 177.8° |
| H12 | C14 | C13 | H10 | 99.8° | 57.7° |
| H12 | C14 | C21 | H18 | 14.2° | 57.7° |
| H12 | C14 | C21 | H19 | 103.1° | 177.8° |
| H11 | C13 | C12 | H9 | 20.3° | 179.2° |
| H10 | C13 | C12 | H9 | 136.6° | 59.1° |
| H9 | C12 | N6 | H3 | 179.2° | 177.6° |
| H8 | C10 | C24 | H25 | 128.5° | 157.7° |
| H8 | C10 | C24 | H24 | 1.5° | 24.8° |
| H14 | C17 | C18 | H15 | 0.2° | 0.0° |
| H15 | C18 | C19 | H16 | 0.1° | 0.0° |
| H16 | C19 | C20 | H17 | 0.3° | 0.3° |
| H20 | C22 | C21 | H18 | 96.9° | 59.2° |
| H20 | C22 | C21 | H19 | 20.4° | 179.3° |
| H20 | C22 | N6 | H3 | 64.4° | 177.6° |
| H21 | C22 | C21 | H18 | 22.1° | 60.8° |
| H21 | C22 | C21 | H19 | 139.4° | 59.2° |
| H21 | C22 | N6 | H3 | 176.6° | 57.7° |
| H22 | C23 | C24 | H25 | 125.8° | 157.9° |
| H22 | C23 | C24 | H24 | 1.1° | 25.0° |
| H23 | C23 | C24 | H25 | 1.3° | 27.4° |
| H23 | C23 | C24 | H24 | 128.3° | 105.5° |
