A1I4K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | N6 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C18 | N6 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C25 | C24 | sing | 1.53Å | 1.48Å | |
| C25 | C23 | sing | 1.53Å | 1.50Å | |
| N6 | C11 | sing | 1.40Å | 1.37Å | |
| N7 | C17 | sing | 1.47Å | 1.45Å | |
| N7 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C21 | C20 | sing | 1.53Å | 1.49Å | |
| C22 | C20 | sing | 1.53Å | 1.49Å | |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C3 | sing | 1.51Å | 1.49Å | |
| C10 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.47Å | |
| C7 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C7 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.47Å | |
| C5 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | N4 | sing | 1.46Å | 1.43Å | |
| C8 | C27 | sing | 1.54Å | 1.53Å | |
| C8 | C26 | sing | 1.54Å | 1.51Å | |
| N4 | N3 | sing | 1.29Å | 1.35Å | Aromatic |
| C27 | O1 | sing | 1.44Å | 1.45Å | |
| N2 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| C26 | O1 | sing | 1.44Å | 1.46Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| N7 | H17 | sing | 1.01Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | N6 | 105.3° | 109.5° |
| C14 | C15 | C16 | 111.1° | 109.3° |
| C15 | C14 | H8 | 110.5° | 109.4° |
| C15 | C14 | H9 | 110.5° | 109.5° |
| C14 | C15 | H10 | 109.1° | 109.4° |
| C14 | C15 | H11 | 109.1° | 109.5° |
| C14 | N6 | C18 | 109.9° | 111.2° |
| C14 | N6 | C11 | 124.6° | 111.0° |
| N6 | C14 | H8 | 110.5° | 109.5° |
| N6 | C14 | H9 | 110.5° | 109.4° |
| C15 | C16 | C17 | 111.9° | 109.2° |
| C16 | C15 | H10 | 109.1° | 109.5° |
| C16 | C15 | H11 | 109.1° | 109.5° |
| C15 | C16 | H12 | 108.9° | 109.5° |
| C15 | C16 | H13 | 108.8° | 109.5° |
| C16 | C17 | C18 | 109.5° | 109.3° |
| C16 | C17 | N7 | 112.9° | 109.5° |
| C17 | C16 | H12 | 108.8° | 109.5° |
| C17 | C16 | H13 | 108.9° | 109.6° |
| C16 | C17 | H14 | 107.0° | 109.5° |
| N6 | C18 | C17 | 107.1° | 109.6° |
| C18 | N6 | C11 | 123.5° | 111.0° |
| N6 | C18 | H15 | 110.1° | 109.4° |
| N6 | C18 | H16 | 110.0° | 109.5° |
| C18 | C17 | N7 | 112.2° | 109.6° |
| C18 | C17 | H14 | 106.8° | 109.6° |
| C17 | C18 | H15 | 110.1° | 109.4° |
| C17 | C18 | H16 | 110.1° | 109.4° |
| C24 | C25 | C23 | 61.0° | 60.0° |
| C25 | C24 | C23 | 60.2° | 60.0° |
| C25 | C24 | H27 | 120.0° | 117.5° |
| C25 | C24 | H28 | 120.0° | 117.5° |
| C24 | C25 | H29 | 119.8° | 117.5° |
| C24 | C25 | H30 | 119.9° | 117.5° |
| C25 | C23 | C24 | 58.8° | 60.0° |
| C25 | C23 | C3 | 124.8° | 117.5° |
| C25 | C23 | H26 | 114.4° | 117.5° |
| C23 | C25 | H29 | 119.8° | 117.5° |
| C23 | C25 | H30 | 119.8° | 117.5° |
| N6 | C11 | C10 | 121.4° | 120.4° |
| N6 | C11 | C12 | 120.9° | 120.5° |
| C17 | N7 | C19 | 117.5° | 111.0° |
| N7 | C17 | H14 | 108.1° | 109.5° |
| C17 | N7 | H17 | 107.4° | 111.0° |
| N7 | C19 | C20 | 113.2° | 109.5° |
| C19 | N7 | H17 | 107.4° | 111.0° |
| N7 | C19 | H19 | 108.5° | 109.5° |
| N7 | C19 | H20 | 108.5° | 109.4° |
| C19 | C20 | C21 | 119.9° | 117.5° |
| C19 | C20 | C22 | 119.7° | 117.5° |
| C20 | C19 | H19 | 108.5° | 109.5° |
| C20 | C19 | H20 | 108.5° | 109.5° |
| C19 | C20 | H21 | 115.3° | 115.6° |
| C24 | C23 | C3 | 118.3° | 117.5° |
| C24 | C23 | H26 | 114.2° | 117.5° |
| C23 | C24 | H27 | 119.9° | 117.5° |
| C23 | C24 | H28 | 120.0° | 117.5° |
| C22 | C21 | C20 | 59.8° | 60.0° |
| C21 | C22 | C20 | 60.1° | 60.0° |
| C22 | C21 | H22 | 120.0° | 117.5° |
| C22 | C21 | H23 | 120.0° | 117.4° |
| C21 | C22 | H24 | 120.0° | 117.6° |
| C21 | C22 | H25 | 120.0° | 117.5° |
| C21 | C20 | C22 | 60.1° | 60.0° |
| C21 | C20 | H21 | 115.3° | 117.5° |
| C20 | C21 | H22 | 120.0° | 117.5° |
| C20 | C21 | H23 | 120.0° | 117.5° |
| C22 | C20 | H21 | 115.4° | 117.5° |
| C20 | C22 | H24 | 120.0° | 117.5° |
| C20 | C22 | H25 | 120.0° | 117.5° |
| C10 | C11 | C12 | 117.7° | 119.0° |
| C11 | C10 | N5 | 121.4° | 120.6° |
| C11 | C10 | H5 | 119.3° | 119.7° |
| C11 | C12 | C13 | 119.8° | 118.3° |
| C11 | C12 | H6 | 120.1° | 120.8° |
| C23 | C3 | C4 | 123.5° | 120.3° |
| C23 | C3 | C2 | 118.1° | 120.4° |
| C3 | C23 | H26 | 114.6° | 115.6° |
| C10 | N5 | C9 | 120.1° | 121.9° |
| N5 | C10 | H5 | 119.3° | 119.7° |
| C12 | C13 | C9 | 118.8° | 119.2° |
| C13 | C12 | H6 | 120.1° | 120.8° |
| C12 | C13 | H7 | 120.6° | 120.3° |
| C4 | C3 | C2 | 118.4° | 119.3° |
| C3 | C4 | C5 | 120.0° | 118.3° |
| C3 | C4 | H3 | 120.0° | 120.9° |
| C3 | C2 | N1 | 122.4° | 121.0° |
| C3 | C2 | H2 | 118.8° | 119.5° |
| N5 | C9 | C13 | 122.1° | 120.9° |
| N5 | C9 | C8 | 117.8° | 119.6° |
| C4 | C5 | C6 | 122.0° | 120.5° |
| C4 | C5 | C1 | 117.0° | 119.0° |
| C5 | C4 | H3 | 120.0° | 120.9° |
| C2 | N1 | C1 | 118.5° | 121.9° |
| N1 | C2 | H2 | 118.8° | 119.5° |
| C13 | C9 | C8 | 120.1° | 119.5° |
| C9 | C13 | H7 | 120.6° | 120.4° |
| C9 | C8 | N4 | 110.4° | 113.0° |
| C9 | C8 | C27 | 117.4° | 113.8° |
| C9 | C8 | C26 | 113.6° | 113.9° |
| C6 | C7 | N4 | 105.5° | 106.1° |
| C7 | C6 | C5 | 131.7° | 126.9° |
| C7 | C6 | N2 | 107.9° | 106.2° |
| C6 | C7 | H4 | 127.3° | 127.0° |
| C7 | N4 | C8 | 132.9° | 125.8° |
| C7 | N4 | N3 | 110.1° | 108.4° |
| N4 | C7 | H4 | 127.2° | 126.9° |
| C6 | C5 | C1 | 120.9° | 120.5° |
| C5 | C6 | N2 | 120.4° | 126.9° |
| C5 | C1 | N1 | 123.6° | 120.6° |
| C5 | C1 | H1 | 118.2° | 119.7° |
| C6 | N2 | N3 | 108.7° | 108.7° |
| N1 | C1 | H1 | 118.2° | 119.7° |
| N4 | C8 | C27 | 113.1° | 113.8° |
| N4 | C8 | C26 | 115.2° | 113.8° |
| C8 | N4 | N3 | 117.0° | 125.8° |
| C27 | C8 | C26 | 85.3° | 85.8° |
| C8 | C27 | O1 | 88.2° | 85.5° |
| C8 | C27 | H33 | 114.5° | 113.9° |
| C8 | C27 | H34 | 114.5° | 113.9° |
| C8 | C26 | O1 | 88.7° | 85.6° |
| C8 | C26 | H31 | 114.4° | 113.9° |
| C8 | C26 | H32 | 114.4° | 113.9° |
| N4 | N3 | N2 | 107.8° | 110.6° |
| C27 | O1 | C26 | 90.5° | 93.3° |
| O1 | C27 | H33 | 114.5° | 113.9° |
| O1 | C27 | H34 | 114.5° | 113.8° |
| O1 | C26 | H31 | 114.4° | 113.9° |
| O1 | C26 | H32 | 114.4° | 113.9° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.4° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.6° |
| H15 | C18 | H16 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 115.6° |
| H24 | C22 | H25 | 109.4° | 115.5° |
| H27 | C24 | H28 | 109.5° | 115.6° |
| H29 | C25 | H30 | 109.5° | 115.5° |
| H31 | C26 | H32 | 109.5° | 113.0° |
| H33 | C27 | H34 | 109.4° | 113.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | N6 | H8 | 119.4° | 120.0° |
| C15 | C14 | N6 | H9 | 119.3° | 120.0° |
| C14 | C15 | C16 | H10 | 120.3° | 119.9° |
| C14 | C15 | C16 | H11 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 51.1° | 57.6° |
| C15 | C14 | N6 | C18 | 72.5° | 61.8° |
| C15 | C14 | N6 | C11 | 91.9° | 174.1° |
| C15 | C14 | H8 | H9 | 121.9° | 120.0° |
| C14 | C15 | H10 | H11 | 119.2° | 120.1° |
| C14 | C15 | C16 | H12 | 171.4° | 62.3° |
| C14 | C15 | C16 | H13 | 69.3° | 177.6° |
| N6 | C14 | C15 | C16 | 60.6° | 59.2° |
| C14 | N6 | C18 | C11 | 164.6° | 124.0° |
| C14 | N6 | C18 | C17 | 70.6° | 61.8° |
| C14 | N6 | C11 | C10 | 13.5° | 124.0° |
| C14 | N6 | C11 | C12 | 163.7° | 56.1° |
| N6 | C14 | H8 | H9 | 121.9° | 120.0° |
| N6 | C14 | C15 | H10 | 59.7° | 179.1° |
| N6 | C14 | C15 | H11 | 179.1° | 60.8° |
| C14 | N6 | C18 | H15 | 49.0° | 178.2° |
| C14 | N6 | C18 | H16 | 169.7° | 58.3° |
| C15 | C16 | C17 | H12 | 120.4° | 119.9° |
| C15 | C16 | C17 | H13 | 120.3° | 119.9° |
| C15 | C16 | C17 | C18 | 47.6° | 57.6° |
| C15 | C16 | C17 | N7 | 173.4° | 62.4° |
| C16 | C15 | C14 | H8 | 58.8° | 60.8° |
| C16 | C15 | C14 | H9 | 179.9° | 179.1° |
| C16 | C15 | H10 | H11 | 119.2° | 120.1° |
| C15 | C16 | H12 | H13 | 118.9° | 120.1° |
| C15 | C16 | C17 | H14 | 67.8° | 177.6° |
| C16 | C17 | C18 | N6 | 55.9° | 59.2° |
| C16 | C17 | C18 | N7 | 126.2° | 119.9° |
| C16 | C17 | C18 | H14 | 115.5° | 120.0° |
| C16 | C17 | N7 | H14 | 118.1° | 120.0° |
| C16 | C17 | N7 | C19 | 48.4° | 85.0° |
| C17 | C16 | C15 | H10 | 69.2° | 177.5° |
| C17 | C16 | C15 | H11 | 171.3° | 62.3° |
| C17 | C16 | H12 | H13 | 118.9° | 120.2° |
| C16 | C17 | C18 | H15 | 63.7° | 179.2° |
| C16 | C17 | C18 | H16 | 175.5° | 60.9° |
| C16 | C17 | N7 | H17 | 72.7° | 39.0° |
| N6 | C18 | C17 | H15 | 119.6° | 120.0° |
| N6 | C18 | C17 | H16 | 119.6° | 120.1° |
| N6 | C18 | C17 | N7 | 177.9° | 60.7° |
| C18 | N6 | C11 | C10 | 175.8° | 0.2° |
| C18 | N6 | C11 | C12 | 1.4° | 179.7° |
| C18 | N6 | C14 | H8 | 46.9° | 58.2° |
| C18 | N6 | C14 | H9 | 168.2° | 178.3° |
| N6 | C18 | C17 | H14 | 59.6° | 179.2° |
| N6 | C18 | H15 | H16 | 121.1° | 120.0° |
| C17 | C18 | N6 | C11 | 93.9° | 174.1° |
| C18 | C17 | N7 | H14 | 117.5° | 120.1° |
| C18 | C17 | N7 | C19 | 172.8° | 155.2° |
| C18 | C17 | C16 | H12 | 168.0° | 62.2° |
| C18 | C17 | C16 | H13 | 72.8° | 177.6° |
| C17 | C18 | H15 | H16 | 121.1° | 119.9° |
| C18 | C17 | N7 | H17 | 51.6° | 80.8° |
| C24 | C25 | C23 | H29 | 109.7° | 107.5° |
| C24 | C25 | C23 | H30 | 109.8° | 107.5° |
| C25 | C24 | C23 | H27 | 109.5° | 107.5° |
| C25 | C24 | C23 | H28 | 109.5° | 107.5° |
| C24 | C25 | C23 | C3 | 104.7° | 107.5° |
| C24 | C25 | C23 | H26 | 104.6° | 107.5° |
| C25 | C24 | H27 | H28 | 144.6° | 145.8° |
| C24 | C25 | H29 | H30 | 144.2° | 145.7° |
| C25 | C23 | C3 | H26 | 150.7° | 145.7° |
| C25 | C23 | C3 | C4 | 23.9° | 171.3° |
| C25 | C23 | C3 | C2 | 158.3° | 8.4° |
| C23 | C25 | H29 | H30 | 144.2° | 145.6° |
| N6 | C11 | C10 | C12 | 177.2° | 180.0° |
| N6 | C11 | C10 | N5 | 177.2° | 179.9° |
| N6 | C11 | C12 | C13 | 177.1° | 179.7° |
| N6 | C11 | C10 | H5 | 2.8° | 0.0° |
| N6 | C11 | C12 | H6 | 3.0° | 0.0° |
| C11 | N6 | C14 | H8 | 148.7° | 65.9° |
| C11 | N6 | C14 | H9 | 27.4° | 54.2° |
| C11 | N6 | C18 | H15 | 146.5° | 54.2° |
| C11 | N6 | C18 | H16 | 25.7° | 65.8° |
| C17 | N7 | C19 | H17 | 121.1° | 124.0° |
| C17 | N7 | C19 | C20 | 125.6° | 180.0° |
| N7 | C17 | C16 | H12 | 66.2° | 177.8° |
| N7 | C17 | C16 | H13 | 53.0° | 57.6° |
| N7 | C17 | C18 | H15 | 62.5° | 59.3° |
| N7 | C17 | C18 | H16 | 58.3° | 179.1° |
| C17 | N7 | C19 | H19 | 5.1° | 60.0° |
| C17 | N7 | C19 | H20 | 113.9° | 60.0° |
| N7 | C19 | C20 | H19 | 120.5° | 120.0° |
| N7 | C19 | C20 | H20 | 120.5° | 120.0° |
| N7 | C19 | C20 | C21 | 131.4° | 175.1° |
| N7 | C19 | C20 | C22 | 60.9° | 116.3° |
| C19 | N7 | C17 | H14 | 69.7° | 35.1° |
| N7 | C19 | H19 | H20 | 118.3° | 120.0° |
| N7 | C19 | C20 | H21 | 83.7° | 29.4° |
| C19 | C20 | C22 | C21 | 109.5° | 107.5° |
| C19 | C20 | C21 | H21 | 144.9° | 145.0° |
| C19 | C20 | C22 | H21 | 144.6° | 145.0° |
| C20 | C19 | N7 | H17 | 113.2° | 56.0° |
| C20 | C19 | H19 | H20 | 118.3° | 120.0° |
| C19 | C20 | C21 | H22 | 0.2° | 145.1° |
| C19 | C20 | C21 | H23 | 141.4° | 0.1° |
| C19 | C20 | C22 | H24 | 141.0° | 0.1° |
| C19 | C20 | C22 | H25 | 0.0° | 145.0° |
| C24 | C23 | C3 | H26 | 139.3° | 145.7° |
| C24 | C23 | C3 | C4 | 46.1° | 120.1° |
| C24 | C23 | C3 | C2 | 131.8° | 60.2° |
| C23 | C24 | H27 | H28 | 144.6° | 145.6° |
| C22 | C21 | C20 | H22 | 109.4° | 107.5° |
| C22 | C21 | C20 | H23 | 109.4° | 107.4° |
| C21 | C22 | C20 | H24 | 109.5° | 107.5° |
| C21 | C22 | C20 | H25 | 109.5° | 107.5° |
| C22 | C21 | C20 | H21 | 105.9° | 107.5° |
| C22 | C21 | H22 | H23 | 144.8° | 145.6° |
| C21 | C22 | H24 | H25 | 144.7° | 145.7° |
| C21 | C20 | C19 | H19 | 108.0° | 55.1° |
| C21 | C20 | C19 | H20 | 10.9° | 64.9° |
| C20 | C21 | H22 | H23 | 144.9° | 145.8° |
| C22 | C20 | C19 | H19 | 178.5° | 123.7° |
| C22 | C20 | C19 | H20 | 59.6° | 3.7° |
| C20 | C22 | H24 | H25 | 144.7° | 145.6° |
| C11 | C10 | N5 | H5 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.3° |
| C11 | C10 | N5 | C9 | 1.0° | 0.1° |
| C10 | C11 | C12 | H6 | 179.8° | 180.0° |
| C12 | C11 | C10 | N5 | 0.0° | 0.0° |
| C11 | C12 | C13 | H6 | 180.0° | 179.7° |
| C11 | C12 | C13 | C9 | 1.4° | 0.6° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | H7 | 178.7° | 180.0° |
| C23 | C3 | C4 | C2 | 177.9° | 179.8° |
| C23 | C3 | C4 | C5 | 179.9° | 180.0° |
| C23 | C3 | C2 | N1 | 177.5° | 179.7° |
| C23 | C3 | C2 | H2 | 2.5° | 0.2° |
| C23 | C3 | C4 | H3 | 0.1° | 0.2° |
| C3 | C23 | C24 | H27 | 134.8° | 0.0° |
| C3 | C23 | C24 | H28 | 6.1° | 145.0° |
| C3 | C23 | C25 | H29 | 5.1° | 145.0° |
| C3 | C23 | C25 | H30 | 145.6° | 0.1° |
| C10 | N5 | C9 | C13 | 2.3° | 0.2° |
| C10 | N5 | C9 | C8 | 179.9° | 180.0° |
| C12 | C13 | C9 | N5 | 2.4° | 0.6° |
| C12 | C13 | C9 | H7 | 180.0° | 179.4° |
| C12 | C13 | C9 | C8 | 179.8° | 179.7° |
| C3 | C4 | C5 | H3 | 180.0° | 179.8° |
| C4 | C3 | C2 | N1 | 0.5° | 0.1° |
| C3 | C4 | C5 | C6 | 179.2° | 180.0° |
| C3 | C4 | C5 | C1 | 3.8° | 0.5° |
| C4 | C3 | C2 | H2 | 179.5° | 180.0° |
| C4 | C3 | C23 | H26 | 174.6° | 25.6° |
| C2 | C3 | C4 | C5 | 2.0° | 0.2° |
| C3 | C2 | N1 | H2 | 180.0° | 179.9° |
| C3 | C2 | N1 | C1 | 1.1° | 0.1° |
| C2 | C3 | C4 | H3 | 178.0° | 180.0° |
| C2 | C3 | C23 | H26 | 7.6° | 154.2° |
| N5 | C9 | C13 | C8 | 177.8° | 179.7° |
| N5 | C9 | C8 | N4 | 94.4° | 144.7° |
| N5 | C9 | C8 | C27 | 37.2° | 12.8° |
| N5 | C9 | C8 | C26 | 134.4° | 83.4° |
| C9 | N5 | C10 | H5 | 179.0° | 180.0° |
| N5 | C9 | C13 | H7 | 177.6° | 180.0° |
| C4 | C5 | C6 | C7 | 9.2° | 179.7° |
| C4 | C5 | C6 | C1 | 176.9° | 179.5° |
| C4 | C5 | C6 | N2 | 169.7° | 0.0° |
| C4 | C5 | C1 | N1 | 3.4° | 0.5° |
| C4 | C5 | C1 | H1 | 176.6° | 179.8° |
| C2 | N1 | C1 | C5 | 1.0° | 0.2° |
| C2 | N1 | C1 | H1 | 179.1° | 179.9° |
| C13 | C9 | C8 | N4 | 87.8° | 35.0° |
| C13 | C9 | C8 | C27 | 140.7° | 166.9° |
| C13 | C9 | C8 | C26 | 43.4° | 96.9° |
| C9 | C13 | C12 | H6 | 178.6° | 179.7° |
| C9 | C8 | N4 | C7 | 44.5° | 62.8° |
| C9 | C8 | N4 | C27 | 133.8° | 131.8° |
| C9 | C8 | N4 | C26 | 130.4° | 132.0° |
| C9 | C8 | C27 | C26 | 114.2° | 114.3° |
| C9 | C8 | N4 | N3 | 137.9° | 116.8° |
| C9 | C8 | C27 | O1 | 134.0° | 136.9° |
| C9 | C8 | C26 | O1 | 137.6° | 136.8° |
| C8 | C9 | C13 | H7 | 0.2° | 0.3° |
| C9 | C8 | C26 | H31 | 21.2° | 22.6° |
| C9 | C8 | C26 | H32 | 106.2° | 109.0° |
| C9 | C8 | C27 | H33 | 109.8° | 109.0° |
| C9 | C8 | C27 | H34 | 17.8° | 22.8° |
| C6 | C7 | N4 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | N2 | 178.9° | 179.6° |
| C7 | C6 | C5 | C1 | 173.9° | 0.9° |
| C6 | C7 | N4 | C8 | 179.1° | 179.8° |
| C6 | C7 | N4 | N3 | 1.4° | 0.4° |
| C7 | C6 | N2 | N3 | 1.3° | 0.3° |
| N4 | C7 | C6 | C5 | 179.0° | 179.9° |
| N4 | C7 | C6 | N2 | 0.0° | 0.4° |
| C7 | N4 | C8 | N3 | 177.6° | 179.7° |
| C7 | N4 | C8 | C27 | 89.3° | 165.3° |
| C7 | N4 | C8 | C26 | 174.9° | 69.2° |
| C7 | N4 | N3 | N2 | 2.2° | 0.3° |
| C6 | C5 | C1 | N1 | 179.6° | 180.0° |
| C5 | C6 | N2 | N3 | 177.8° | 180.0° |
| C6 | C5 | C1 | H1 | 0.4° | 0.3° |
| C6 | C5 | C4 | H3 | 0.8° | 0.2° |
| C5 | C6 | C7 | H4 | 1.0° | 0.1° |
| C1 | C5 | C6 | N2 | 7.2° | 179.5° |
| C5 | C1 | N1 | H1 | 180.0° | 179.7° |
| C1 | C5 | C4 | H3 | 176.2° | 179.7° |
| C6 | N2 | N3 | N4 | 2.2° | 0.0° |
| N2 | C6 | C7 | H4 | 180.0° | 179.7° |
| C1 | N1 | C2 | H2 | 178.9° | 180.0° |
| N4 | C8 | C27 | C26 | 115.4° | 114.2° |
| N4 | C8 | C27 | O1 | 95.7° | 91.6° |
| C8 | N4 | N3 | N2 | 179.7° | 180.0° |
| N4 | C8 | C26 | O1 | 93.7° | 91.6° |
| C8 | N4 | C7 | H4 | 1.0° | 0.1° |
| N4 | C8 | C26 | H31 | 150.0° | 154.2° |
| N4 | C8 | C26 | H32 | 22.6° | 22.5° |
| N4 | C8 | C27 | H33 | 20.5° | 22.5° |
| N4 | C8 | C27 | H34 | 148.1° | 154.3° |
| C27 | C8 | N4 | N3 | 88.3° | 15.0° |
| C8 | C27 | O1 | H33 | 116.2° | 114.1° |
| C8 | C27 | O1 | H34 | 116.2° | 114.1° |
| C27 | C8 | C26 | O1 | 19.6° | 22.6° |
| C27 | C8 | C26 | H31 | 96.7° | 91.6° |
| C27 | C8 | C26 | H32 | 135.9° | 136.8° |
| C8 | C27 | H33 | H34 | 130.1° | 132.1° |
| C26 | C8 | N4 | N3 | 7.6° | 111.2° |
| C8 | C26 | O1 | H31 | 116.3° | 114.2° |
| C8 | C26 | O1 | H32 | 116.3° | 114.2° |
| C8 | C26 | H31 | H32 | 129.9° | 132.0° |
| C26 | C8 | C27 | H33 | 136.0° | 136.7° |
| C26 | C8 | C27 | H34 | 96.5° | 91.5° |
| N3 | N4 | C7 | H4 | 178.7° | 179.6° |
| C27 | O1 | C26 | H31 | 95.5° | 90.0° |
| C27 | O1 | C26 | H32 | 137.1° | 138.4° |
| O1 | C27 | H33 | H34 | 130.1° | 132.1° |
| O1 | C26 | H31 | H32 | 129.9° | 132.0° |
| C26 | O1 | C27 | H33 | 136.7° | 138.3° |
| C26 | O1 | C27 | H34 | 95.7° | 89.9° |
| H6 | C12 | C13 | H7 | 1.3° | 0.3° |
| H8 | C14 | C15 | H10 | 179.0° | 59.1° |
| H8 | C14 | C15 | H11 | 61.5° | 179.2° |
| H9 | C14 | C15 | H10 | 59.6° | 60.9° |
| H9 | C14 | C15 | H11 | 59.8° | 59.2° |
| H10 | C15 | C16 | H12 | 51.2° | 57.6° |
| H10 | C15 | C16 | H13 | 170.4° | 62.5° |
| H11 | C15 | C16 | H12 | 68.3° | 177.8° |
| H11 | C15 | C16 | H13 | 51.0° | 57.6° |
| H12 | C16 | C17 | H14 | 52.5° | 57.8° |
| H13 | C16 | C17 | H14 | 171.8° | 62.4° |
| H14 | C17 | C18 | H15 | 179.2° | 60.8° |
| H14 | C17 | C18 | H16 | 60.0° | 59.1° |
| H14 | C17 | N7 | H17 | 169.2° | 159.1° |
| H17 | N7 | C19 | H19 | 126.2° | 176.0° |
| H17 | N7 | C19 | H20 | 7.3° | 64.0° |
| H19 | C19 | C20 | H21 | 36.8° | 90.6° |
| H20 | C19 | C20 | H21 | 155.7° | 149.4° |
| H21 | C20 | C21 | H22 | 144.6° | 0.0° |
| H21 | C20 | C21 | H23 | 3.5° | 145.1° |
| H21 | C20 | C22 | H24 | 3.6° | 145.0° |
| H21 | C20 | C22 | H25 | 144.6° | 0.0° |
| H22 | C21 | C22 | H24 | 141.1° | 145.0° |
| H22 | C21 | C22 | H25 | 0.1° | 0.1° |
| H23 | C21 | C22 | H24 | 0.0° | 0.0° |
| H23 | C21 | C22 | H25 | 141.1° | 145.0° |
| H26 | C23 | C24 | H27 | 4.6° | 145.0° |
| H26 | C23 | C24 | H28 | 145.6° | 0.0° |
| H26 | C23 | C25 | H29 | 145.7° | 0.1° |
| H26 | C23 | C25 | H30 | 5.2° | 145.0° |
| H27 | C24 | C25 | H29 | 140.8° | 145.1° |
| H27 | C24 | C25 | H30 | 0.2° | 0.0° |
| H28 | C24 | C25 | H29 | 0.2° | 0.0° |
| H28 | C24 | C25 | H30 | 140.7° | 145.1° |
