A1I4J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | N5 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.55Å | 1.51Å | |
| C26 | C27 | sing | 1.55Å | 1.51Å | |
| C25 | C24 | sing | 1.54Å | 1.52Å | |
| C11 | N5 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| N5 | C9 | sing | 1.40Å | 1.37Å | |
| N6 | C12 | sing | 1.47Å | 1.47Å | |
| N6 | C16 | sing | 1.47Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.48Å | |
| C17 | C19 | sing | 1.53Å | 1.49Å | |
| C24 | N9 | sing | 1.48Å | 1.46Å | |
| C27 | N9 | sing | 1.49Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| N9 | C23 | sing | 1.39Å | 1.36Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| N8 | C20 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C3 | sing | 1.51Å | 1.49Å | |
| C22 | N7 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.37Å | 1.36Å | Aromatic |
| C1 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| C20 | C2 | sing | 1.48Å | 1.47Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | N3 | sing | 1.47Å | 1.46Å | |
| C3 | C6 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | N1 | sing | 1.35Å | 1.36Å | Aromatic |
| N7 | C21 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.37Å | Aromatic |
| C6 | O1 | sing | 1.43Å | 1.46Å | |
| C4 | O1 | sing | 1.43Å | 1.46Å | |
| N1 | N2 | doub | 1.29Å | 1.32Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| N6 | H28 | sing | 1.01Å | 1.00Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | N5 | 107.6° | 109.5° |
| C15 | C14 | C13 | 111.4° | 109.3° |
| C15 | C14 | H24 | 109.0° | 109.6° |
| C15 | C14 | H25 | 109.0° | 109.6° |
| C14 | C15 | H26 | 109.9° | 109.5° |
| C14 | C15 | H27 | 109.9° | 109.5° |
| C15 | N5 | C11 | 110.0° | 111.2° |
| C15 | N5 | C9 | 124.2° | 111.0° |
| N5 | C15 | H26 | 110.0° | 109.4° |
| N5 | C15 | H27 | 110.0° | 109.4° |
| C14 | C13 | C12 | 111.7° | 109.1° |
| C14 | C13 | H22 | 108.9° | 109.5° |
| C14 | C13 | H23 | 108.9° | 109.5° |
| C13 | C14 | H24 | 109.0° | 109.5° |
| C13 | C14 | H25 | 109.0° | 109.5° |
| C13 | C12 | C11 | 111.2° | 109.3° |
| C13 | C12 | N6 | 112.0° | 109.6° |
| C13 | C12 | H21 | 107.3° | 109.5° |
| C12 | C13 | H22 | 108.9° | 109.6° |
| C12 | C13 | H23 | 108.9° | 109.5° |
| C25 | C26 | C27 | 104.9° | 102.9° |
| C26 | C25 | C24 | 104.8° | 105.1° |
| C26 | C25 | H16 | 110.6° | 110.3° |
| C26 | C25 | H17 | 110.6° | 110.4° |
| C25 | C26 | H33 | 110.6° | 110.7° |
| C25 | C26 | H34 | 110.6° | 110.7° |
| C26 | C27 | N9 | 104.4° | 103.2° |
| C27 | C26 | H33 | 110.6° | 110.7° |
| C27 | C26 | H34 | 110.6° | 110.8° |
| C26 | C27 | H35 | 110.7° | 110.7° |
| C26 | C27 | H36 | 110.7° | 110.7° |
| C25 | C24 | N9 | 102.7° | 107.0° |
| C24 | C25 | H16 | 110.6° | 110.3° |
| C24 | C25 | H17 | 110.6° | 110.3° |
| C25 | C24 | H31 | 111.2° | 109.9° |
| C25 | C24 | H32 | 111.2° | 109.9° |
| N5 | C11 | C12 | 107.5° | 109.5° |
| C11 | N5 | C9 | 123.5° | 111.0° |
| N5 | C11 | H6 | 109.9° | 109.5° |
| N5 | C11 | H7 | 109.9° | 109.5° |
| C11 | C12 | N6 | 111.0° | 109.5° |
| C12 | C11 | H6 | 109.9° | 109.5° |
| C12 | C11 | H7 | 110.0° | 109.4° |
| C11 | C12 | H21 | 107.1° | 109.5° |
| N5 | C9 | C10 | 120.5° | 120.5° |
| N5 | C9 | C8 | 120.9° | 120.5° |
| C12 | N6 | C16 | 114.2° | 111.0° |
| N6 | C12 | H21 | 108.0° | 109.4° |
| C12 | N6 | H28 | 108.3° | 110.9° |
| N6 | C16 | C17 | 108.5° | 109.5° |
| N6 | C16 | H8 | 109.7° | 109.5° |
| N6 | C16 | H9 | 109.7° | 109.5° |
| C16 | N6 | H28 | 108.3° | 111.0° |
| C16 | C17 | C18 | 119.9° | 117.5° |
| C16 | C17 | C19 | 117.7° | 117.5° |
| C17 | C16 | H8 | 109.7° | 109.5° |
| C17 | C16 | H9 | 109.8° | 109.5° |
| C16 | C17 | H10 | 115.7° | 115.6° |
| C18 | C17 | C19 | 60.4° | 60.0° |
| C17 | C18 | C19 | 59.8° | 60.0° |
| C18 | C17 | H10 | 115.9° | 117.5° |
| C17 | C18 | H11 | 120.0° | 117.5° |
| C17 | C18 | H12 | 120.0° | 117.5° |
| C17 | C19 | C18 | 59.8° | 60.0° |
| C19 | C17 | H10 | 115.9° | 117.6° |
| C17 | C19 | H13 | 120.0° | 117.5° |
| C17 | C19 | H14 | 120.1° | 117.5° |
| C24 | N9 | C27 | 112.3° | 105.8° |
| C24 | N9 | C23 | 124.9° | 111.0° |
| N9 | C24 | H31 | 111.1° | 109.9° |
| N9 | C24 | H32 | 111.1° | 109.9° |
| C27 | N9 | C23 | 122.7° | 111.0° |
| N9 | C27 | H35 | 110.7° | 110.7° |
| N9 | C27 | H36 | 110.7° | 110.7° |
| C19 | C18 | H11 | 120.0° | 117.5° |
| C19 | C18 | H12 | 120.0° | 117.5° |
| C18 | C19 | H13 | 120.1° | 117.5° |
| C18 | C19 | H14 | 120.0° | 117.5° |
| C10 | C9 | C8 | 118.4° | 119.0° |
| C9 | C10 | N4 | 121.4° | 120.7° |
| C9 | C10 | H5 | 119.3° | 119.6° |
| C9 | C8 | C7 | 119.6° | 118.4° |
| C9 | C8 | H4 | 120.2° | 120.8° |
| C10 | N4 | C5 | 120.4° | 121.8° |
| N4 | C10 | H5 | 119.3° | 119.7° |
| N9 | C23 | N8 | 119.2° | 120.0° |
| N9 | C23 | C22 | 120.4° | 120.0° |
| C8 | C7 | C5 | 118.8° | 119.2° |
| C7 | C8 | H4 | 120.2° | 120.8° |
| C8 | C7 | H20 | 120.6° | 120.4° |
| N4 | C5 | C7 | 121.3° | 120.9° |
| N4 | C5 | C3 | 118.2° | 119.5° |
| N8 | C23 | C22 | 120.5° | 119.9° |
| C23 | N8 | C20 | 117.4° | 119.8° |
| C23 | C22 | N7 | 121.6° | 120.1° |
| C23 | C22 | H30 | 119.2° | 120.0° |
| N8 | C20 | C2 | 117.3° | 120.1° |
| N8 | C20 | C21 | 121.3° | 119.8° |
| C7 | C5 | C3 | 120.4° | 119.5° |
| C5 | C7 | H20 | 120.6° | 120.4° |
| C5 | C3 | N3 | 114.5° | 113.6° |
| C5 | C3 | C6 | 120.5° | 114.6° |
| C5 | C3 | C4 | 115.3° | 114.6° |
| C22 | N7 | C21 | 117.6° | 120.2° |
| N7 | C22 | H30 | 119.2° | 119.9° |
| C2 | C1 | N3 | 105.0° | 106.0° |
| C1 | C2 | C20 | 129.0° | 126.9° |
| C1 | C2 | N1 | 108.3° | 106.2° |
| C2 | C1 | H3 | 127.5° | 127.0° |
| C1 | N3 | C3 | 128.7° | 125.7° |
| C1 | N3 | N2 | 111.6° | 108.6° |
| N3 | C1 | H3 | 127.5° | 127.0° |
| C2 | C20 | C21 | 121.2° | 120.1° |
| C20 | C2 | N1 | 122.7° | 126.9° |
| C20 | C21 | N7 | 121.6° | 120.1° |
| C20 | C21 | H15 | 119.2° | 120.0° |
| N3 | C3 | C6 | 107.0° | 114.5° |
| N3 | C3 | C4 | 110.3° | 114.5° |
| C3 | N3 | N2 | 119.7° | 125.7° |
| C6 | C3 | C4 | 85.8° | 81.3° |
| C3 | C6 | O1 | 89.9° | 88.4° |
| C3 | C6 | H18 | 114.1° | 113.4° |
| C3 | C6 | H19 | 114.1° | 113.4° |
| C3 | C4 | O1 | 90.3° | 88.5° |
| C3 | C4 | H1 | 114.0° | 113.3° |
| C3 | C4 | H2 | 114.0° | 113.5° |
| C2 | N1 | N2 | 109.6° | 108.7° |
| N7 | C21 | H15 | 119.2° | 120.0° |
| N3 | N2 | N1 | 105.5° | 110.5° |
| C6 | O1 | C4 | 92.0° | 88.3° |
| O1 | C6 | H18 | 114.1° | 113.4° |
| O1 | C6 | H19 | 114.1° | 113.4° |
| O1 | C4 | H1 | 114.0° | 113.4° |
| O1 | C4 | H2 | 114.0° | 113.4° |
| H1 | C4 | H2 | 109.5° | 112.7° |
| H6 | C11 | H7 | 109.5° | 109.4° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H11 | C18 | H12 | 109.5° | 115.5° |
| H13 | C19 | H14 | 109.4° | 115.6° |
| H16 | C25 | H17 | 109.5° | 110.3° |
| H18 | C6 | H19 | 109.4° | 112.7° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.4° |
| H26 | C15 | H27 | 109.4° | 109.5° |
| H31 | C24 | H32 | 109.5° | 110.1° |
| H33 | C26 | H34 | 109.4° | 110.7° |
| H35 | C27 | H36 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | N5 | H26 | 119.7° | 120.0° |
| C14 | C15 | N5 | H27 | 119.7° | 120.0° |
| C15 | C14 | C13 | H24 | 120.3° | 120.0° |
| C15 | C14 | C13 | H25 | 120.3° | 120.0° |
| C15 | C14 | C13 | C12 | 48.3° | 57.6° |
| C14 | C15 | N5 | C11 | 69.3° | 61.7° |
| C14 | C15 | N5 | C9 | 93.8° | 174.2° |
| C15 | C14 | C13 | H22 | 168.6° | 177.6° |
| C15 | C14 | C13 | H23 | 72.1° | 62.3° |
| C15 | C14 | H24 | H25 | 119.1° | 120.1° |
| C14 | C15 | H26 | H27 | 120.8° | 120.0° |
| N5 | C15 | C14 | C13 | 57.8° | 59.2° |
| C15 | N5 | C11 | C9 | 163.3° | 124.1° |
| C15 | N5 | C11 | C12 | 68.5° | 61.7° |
| C15 | N5 | C9 | C10 | 16.0° | 124.2° |
| C15 | N5 | C9 | C8 | 158.1° | 55.8° |
| C15 | N5 | C11 | H6 | 51.2° | 178.2° |
| C15 | N5 | C11 | H7 | 171.8° | 58.3° |
| N5 | C15 | C14 | H24 | 62.5° | 60.8° |
| N5 | C15 | C14 | H25 | 178.1° | 179.2° |
| N5 | C15 | H26 | H27 | 120.9° | 119.9° |
| C14 | C13 | C12 | H22 | 120.3° | 119.9° |
| C14 | C13 | C12 | H23 | 120.3° | 119.9° |
| C14 | C13 | C12 | C11 | 47.5° | 57.6° |
| C14 | C13 | C12 | N6 | 172.4° | 62.4° |
| C14 | C13 | C12 | H21 | 69.3° | 177.6° |
| C14 | C13 | H22 | H23 | 119.0° | 120.1° |
| C13 | C14 | H24 | H25 | 119.1° | 120.0° |
| C13 | C14 | C15 | H26 | 62.0° | 60.8° |
| C13 | C14 | C15 | H27 | 177.5° | 179.1° |
| C13 | C12 | C11 | N5 | 56.3° | 59.2° |
| C13 | C12 | C11 | N6 | 125.4° | 120.0° |
| C13 | C12 | C11 | H21 | 116.9° | 120.0° |
| C13 | C12 | N6 | H21 | 117.9° | 120.1° |
| C13 | C12 | N6 | C16 | 58.4° | 85.1° |
| C13 | C12 | C11 | H6 | 63.3° | 179.2° |
| C13 | C12 | C11 | H7 | 176.0° | 60.8° |
| C12 | C13 | H22 | H23 | 119.0° | 120.2° |
| C12 | C13 | C14 | H24 | 72.0° | 62.4° |
| C12 | C13 | C14 | H25 | 168.6° | 177.7° |
| C13 | C12 | N6 | H28 | 62.4° | 38.8° |
| C25 | C26 | C27 | H33 | 119.3° | 118.4° |
| C25 | C26 | C27 | H34 | 119.3° | 118.4° |
| C26 | C25 | C24 | H16 | 119.2° | 118.9° |
| C26 | C25 | C24 | H17 | 119.3° | 119.0° |
| C26 | C25 | C24 | N9 | 31.0° | 1.2° |
| C25 | C26 | C27 | N9 | 20.5° | 37.4° |
| C26 | C25 | H16 | H17 | 122.2° | 122.1° |
| C26 | C25 | C24 | H31 | 150.0° | 118.0° |
| C26 | C25 | C24 | H32 | 87.8° | 120.6° |
| C25 | C26 | H33 | H34 | 122.1° | 123.2° |
| C25 | C26 | C27 | H35 | 139.7° | 81.0° |
| C25 | C26 | C27 | H36 | 98.6° | 155.8° |
| C27 | C26 | C25 | C24 | 32.4° | 21.9° |
| C26 | C27 | N9 | C24 | 0.9° | 39.2° |
| C26 | C27 | N9 | H35 | 119.2° | 118.5° |
| C26 | C27 | N9 | H36 | 119.2° | 118.5° |
| C26 | C27 | N9 | C23 | 179.2° | 159.7° |
| C27 | C26 | C25 | H16 | 86.9° | 140.9° |
| C27 | C26 | C25 | H17 | 151.6° | 97.0° |
| C27 | C26 | H33 | H34 | 122.1° | 123.3° |
| C26 | C27 | H35 | H36 | 122.4° | 123.1° |
| C25 | C24 | N9 | H31 | 118.9° | 119.3° |
| C25 | C24 | N9 | H32 | 118.9° | 119.3° |
| C25 | C24 | N9 | C27 | 18.9° | 25.3° |
| C25 | C24 | N9 | C23 | 161.0° | 145.9° |
| C24 | C25 | H16 | H17 | 122.1° | 122.1° |
| C25 | C24 | H31 | H32 | 123.2° | 121.2° |
| C24 | C25 | C26 | H33 | 86.9° | 96.4° |
| C24 | C25 | C26 | H34 | 151.6° | 140.4° |
| N5 | C11 | C12 | H6 | 119.7° | 120.0° |
| N5 | C11 | C12 | H7 | 119.7° | 120.0° |
| N5 | C11 | C12 | N6 | 178.2° | 60.9° |
| C11 | N5 | C9 | C10 | 176.9° | 0.0° |
| C11 | N5 | C9 | C8 | 2.8° | 180.0° |
| N5 | C11 | H6 | H7 | 120.9° | 120.0° |
| N5 | C11 | C12 | H21 | 60.6° | 179.2° |
| C11 | N5 | C15 | H26 | 50.5° | 58.3° |
| C11 | N5 | C15 | H27 | 171.0° | 178.3° |
| C12 | C11 | N5 | C9 | 94.8° | 174.2° |
| C11 | C12 | N6 | H21 | 117.2° | 120.0° |
| C11 | C12 | N6 | C16 | 176.7° | 155.0° |
| C12 | C11 | H6 | H7 | 120.9° | 120.0° |
| C11 | C12 | C13 | H22 | 167.9° | 177.5° |
| C11 | C12 | C13 | H23 | 72.8° | 62.3° |
| C11 | C12 | N6 | H28 | 62.6° | 81.1° |
| N5 | C9 | C10 | C8 | 174.3° | 180.0° |
| N5 | C9 | C10 | N4 | 175.5° | 180.0° |
| N5 | C9 | C8 | C7 | 176.8° | 180.0° |
| N5 | C9 | C8 | H4 | 3.2° | 0.3° |
| N5 | C9 | C10 | H5 | 4.5° | 0.0° |
| C9 | N5 | C11 | H6 | 145.6° | 54.1° |
| C9 | N5 | C11 | H7 | 24.9° | 65.8° |
| C9 | N5 | C15 | H26 | 146.4° | 65.8° |
| C9 | N5 | C15 | H27 | 25.9° | 54.2° |
| C12 | N6 | C16 | H28 | 120.7° | 123.9° |
| C12 | N6 | C16 | C17 | 174.4° | 180.0° |
| N6 | C12 | C11 | H6 | 62.1° | 59.2° |
| N6 | C12 | C11 | H7 | 58.6° | 179.1° |
| C12 | N6 | C16 | H8 | 54.6° | 59.9° |
| C12 | N6 | C16 | H9 | 65.7° | 60.0° |
| N6 | C12 | C13 | H22 | 67.3° | 57.6° |
| N6 | C12 | C13 | H23 | 52.1° | 177.7° |
| N6 | C16 | C17 | H8 | 119.8° | 120.0° |
| N6 | C16 | C17 | H9 | 119.9° | 120.0° |
| N6 | C16 | C17 | C18 | 167.7° | 175.0° |
| N6 | C16 | C17 | C19 | 97.7° | 116.4° |
| N6 | C16 | H8 | H9 | 120.5° | 120.0° |
| N6 | C16 | C17 | H10 | 45.5° | 29.4° |
| C16 | N6 | C12 | H21 | 59.5° | 35.0° |
| C16 | C17 | C18 | C19 | 106.9° | 107.5° |
| C16 | C17 | C18 | H10 | 146.7° | 144.9° |
| C16 | C17 | C19 | H10 | 143.1° | 145.1° |
| C17 | C16 | H8 | H9 | 120.5° | 120.0° |
| C16 | C17 | C18 | H11 | 2.6° | 0.0° |
| C16 | C17 | C18 | H12 | 143.7° | 145.0° |
| C16 | C17 | C19 | H13 | 140.1° | 145.1° |
| C16 | C17 | C19 | H14 | 1.1° | 0.0° |
| C17 | C16 | N6 | H28 | 64.9° | 56.1° |
| C18 | C17 | C19 | H10 | 106.4° | 107.4° |
| C17 | C18 | C19 | H11 | 109.4° | 107.5° |
| C17 | C18 | C19 | H12 | 109.4° | 107.5° |
| C18 | C17 | C16 | H8 | 47.9° | 55.0° |
| C18 | C17 | C16 | H9 | 72.4° | 65.0° |
| C17 | C18 | H11 | H12 | 144.8° | 145.7° |
| C18 | C17 | C19 | H13 | 109.4° | 107.5° |
| C18 | C17 | C19 | H14 | 109.4° | 107.5° |
| C19 | C17 | C16 | H8 | 22.1° | 123.6° |
| C19 | C17 | C16 | H9 | 142.5° | 3.6° |
| C17 | C19 | H13 | H14 | 144.9° | 145.7° |
| C24 | N9 | C27 | C23 | 179.9° | 120.5° |
| C24 | N9 | C23 | N8 | 2.3° | 59.2° |
| C24 | N9 | C23 | C22 | 176.8° | 120.3° |
| N9 | C24 | C25 | H16 | 88.2° | 117.7° |
| N9 | C24 | C25 | H17 | 150.3° | 120.2° |
| N9 | C24 | H31 | H32 | 123.1° | 121.2° |
| C24 | N9 | C27 | H35 | 120.0° | 79.3° |
| C24 | N9 | C27 | H36 | 118.3° | 157.6° |
| C27 | N9 | C23 | N8 | 177.8° | 58.2° |
| C27 | N9 | C23 | C22 | 3.1° | 122.3° |
| C27 | N9 | C24 | H31 | 137.8° | 94.0° |
| C27 | N9 | C24 | H32 | 100.0° | 144.7° |
| N9 | C27 | C26 | H33 | 98.8° | 81.0° |
| N9 | C27 | C26 | H34 | 139.8° | 155.8° |
| N9 | C27 | H35 | H36 | 122.3° | 123.1° |
| C19 | C18 | H11 | H12 | 144.9° | 145.7° |
| C18 | C19 | H13 | H14 | 144.8° | 145.7° |
| C9 | C10 | N4 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 2.6° | 0.0° |
| C9 | C10 | N4 | C5 | 1.6° | 0.3° |
| C10 | C9 | C8 | H4 | 177.4° | 179.7° |
| C8 | C9 | C10 | N4 | 1.3° | 0.0° |
| C9 | C8 | C7 | H4 | 180.0° | 179.7° |
| C9 | C8 | C7 | C5 | 1.1° | 0.2° |
| C8 | C9 | C10 | H5 | 178.8° | 180.0° |
| C9 | C8 | C7 | H20 | 178.9° | 179.7° |
| C10 | N4 | C5 | C7 | 3.1° | 0.6° |
| C10 | N4 | C5 | C3 | 178.9° | 179.9° |
| N9 | C23 | N8 | C22 | 179.1° | 179.5° |
| N9 | C23 | N8 | C20 | 179.7° | 180.0° |
| N9 | C23 | C22 | N7 | 179.6° | 179.8° |
| N9 | C23 | C22 | H30 | 0.4° | 0.3° |
| C23 | N9 | C24 | H31 | 42.1° | 26.6° |
| C23 | N9 | C24 | H32 | 80.1° | 94.8° |
| C23 | N9 | C27 | H35 | 60.1° | 41.2° |
| C23 | N9 | C27 | H36 | 61.6° | 81.8° |
| C8 | C7 | C5 | N4 | 1.8° | 0.5° |
| C8 | C7 | C5 | H20 | 180.0° | 179.9° |
| C8 | C7 | C5 | C3 | 177.4° | 180.0° |
| N4 | C5 | C7 | C3 | 175.6° | 179.5° |
| N4 | C5 | C3 | N3 | 102.1° | 134.4° |
| N4 | C5 | C3 | C6 | 27.9° | 0.2° |
| N4 | C5 | C3 | C4 | 128.4° | 91.3° |
| C5 | N4 | C10 | H5 | 178.4° | 179.7° |
| N4 | C5 | C7 | H20 | 178.2° | 179.4° |
| N8 | C23 | C22 | N7 | 1.2° | 0.3° |
| C23 | N8 | C20 | C2 | 178.1° | 179.7° |
| C23 | N8 | C20 | C21 | 1.3° | 0.6° |
| N8 | C23 | C22 | H30 | 178.7° | 179.8° |
| C22 | C23 | N8 | C20 | 1.1° | 0.5° |
| C23 | C22 | N7 | H30 | 180.0° | 179.9° |
| C23 | C22 | N7 | C21 | 1.5° | 0.0° |
| N8 | C20 | C2 | C1 | 5.4° | 0.6° |
| N8 | C20 | C2 | C21 | 176.8° | 179.7° |
| N8 | C20 | C2 | N1 | 172.1° | 179.8° |
| N8 | C20 | C21 | N7 | 1.6° | 0.4° |
| N8 | C20 | C21 | H15 | 178.4° | 179.7° |
| C7 | C5 | C3 | N3 | 82.2° | 46.1° |
| C7 | C5 | C3 | C6 | 147.9° | 179.7° |
| C7 | C5 | C3 | C4 | 47.3° | 88.2° |
| C5 | C7 | C8 | H4 | 178.9° | 180.0° |
| C5 | C3 | N3 | C1 | 49.7° | 59.5° |
| C5 | C3 | N3 | C6 | 136.3° | 134.3° |
| C5 | C3 | N3 | C4 | 131.9° | 134.3° |
| C5 | C3 | C6 | C4 | 116.9° | 113.1° |
| C5 | C3 | N3 | N2 | 132.9° | 120.4° |
| C5 | C3 | C6 | O1 | 127.3° | 139.6° |
| C5 | C3 | C4 | O1 | 132.3° | 139.6° |
| C5 | C3 | C4 | H1 | 15.6° | 24.7° |
| C5 | C3 | C4 | H2 | 111.1° | 105.5° |
| C5 | C3 | C6 | H18 | 116.2° | 105.6° |
| C5 | C3 | C6 | H19 | 10.8° | 24.7° |
| C3 | C5 | C7 | H20 | 2.6° | 0.1° |
| C22 | N7 | C21 | C20 | 1.6° | 0.1° |
| C22 | N7 | C21 | H15 | 178.4° | 180.0° |
| C2 | C1 | N3 | H3 | 180.0° | 179.9° |
| C1 | C2 | C20 | N1 | 177.5° | 179.6° |
| C1 | C2 | C20 | C21 | 177.8° | 179.7° |
| C2 | C1 | N3 | C3 | 179.5° | 179.9° |
| C2 | C1 | N3 | N2 | 1.9° | 0.0° |
| C1 | C2 | N1 | N2 | 0.1° | 0.0° |
| N3 | C1 | C2 | C20 | 179.0° | 179.7° |
| C1 | N3 | C3 | N2 | 177.4° | 179.9° |
| C1 | N3 | C3 | C6 | 86.7° | 74.8° |
| C1 | N3 | C3 | C4 | 178.4° | 166.2° |
| N3 | C1 | C2 | N1 | 1.2° | 0.0° |
| C1 | N3 | N2 | N1 | 1.8° | 0.1° |
| C2 | C20 | C21 | N7 | 178.3° | 180.0° |
| C20 | C2 | N1 | N2 | 178.1° | 179.7° |
| C20 | C2 | C1 | H3 | 1.0° | 0.2° |
| C2 | C20 | C21 | H15 | 1.8° | 0.1° |
| C21 | C20 | C2 | N1 | 4.7° | 0.1° |
| C20 | C21 | N7 | H15 | 180.0° | 179.9° |
| N3 | C3 | C6 | C4 | 109.9° | 113.1° |
| N3 | C3 | C6 | O1 | 99.5° | 86.6° |
| N3 | C3 | C4 | O1 | 96.2° | 86.6° |
| C3 | N3 | N2 | N1 | 179.7° | 179.9° |
| N3 | C3 | C4 | H1 | 147.1° | 158.5° |
| N3 | C3 | C4 | H2 | 20.4° | 28.3° |
| C3 | N3 | C1 | H3 | 0.5° | 0.2° |
| N3 | C3 | C6 | H18 | 17.0° | 28.3° |
| N3 | C3 | C6 | H19 | 143.9° | 158.5° |
| C6 | C3 | N3 | N2 | 90.7° | 105.4° |
| C3 | C6 | O1 | H18 | 116.6° | 114.9° |
| C3 | C6 | O1 | H19 | 116.6° | 114.9° |
| C6 | C3 | C4 | O1 | 10.4° | 26.5° |
| C6 | C3 | C4 | H1 | 106.3° | 88.4° |
| C6 | C3 | C4 | H2 | 127.0° | 141.4° |
| C3 | C6 | H18 | H19 | 129.3° | 130.6° |
| C4 | C3 | N3 | N2 | 1.0° | 14.0° |
| C3 | C4 | O1 | H1 | 116.6° | 114.8° |
| C3 | C4 | O1 | H2 | 116.6° | 115.0° |
| C3 | C4 | H1 | H2 | 129.1° | 130.6° |
| C4 | C3 | C6 | H18 | 126.9° | 141.3° |
| C4 | C3 | C6 | H19 | 106.2° | 88.4° |
| C2 | N1 | N2 | N3 | 1.0° | 0.0° |
| N1 | C2 | C1 | H3 | 178.8° | 179.9° |
| C21 | N7 | C22 | H30 | 178.5° | 180.0° |
| N2 | N3 | C1 | H3 | 178.1° | 180.0° |
| C6 | O1 | C4 | H1 | 105.6° | 86.7° |
| C6 | O1 | C4 | H2 | 127.6° | 143.1° |
| O1 | C6 | H18 | H19 | 129.3° | 130.5° |
| O1 | C4 | H1 | H2 | 129.1° | 130.5° |
| C4 | O1 | C6 | H18 | 127.5° | 143.0° |
| C4 | O1 | C6 | H19 | 105.7° | 86.8° |
| H4 | C8 | C7 | H20 | 1.1° | 0.1° |
| H6 | C11 | C12 | H21 | 179.8° | 60.8° |
| H7 | C11 | C12 | H21 | 59.1° | 59.2° |
| H8 | C16 | C17 | H10 | 165.3° | 90.7° |
| H8 | C16 | N6 | H28 | 175.3° | 64.0° |
| H9 | C16 | C17 | H10 | 74.4° | 149.4° |
| H9 | C16 | N6 | H28 | 55.0° | 176.1° |
| H10 | C17 | C18 | H11 | 144.2° | 145.0° |
| H10 | C17 | C18 | H12 | 3.1° | 0.1° |
| H10 | C17 | C19 | H13 | 3.0° | 0.0° |
| H10 | C17 | C19 | H14 | 144.2° | 145.0° |
| H11 | C18 | C19 | H13 | 141.2° | 145.0° |
| H11 | C18 | C19 | H14 | 0.0° | 0.0° |
| H12 | C18 | C19 | H13 | 0.0° | 0.0° |
| H12 | C18 | C19 | H14 | 141.1° | 145.0° |
| H16 | C25 | C24 | H31 | 30.7° | 123.0° |
| H16 | C25 | C24 | H32 | 152.9° | 1.7° |
| H16 | C25 | C26 | H33 | 153.8° | 22.5° |
| H16 | C25 | C26 | H34 | 32.4° | 100.7° |
| H17 | C25 | C24 | H31 | 90.8° | 0.9° |
| H17 | C25 | C24 | H32 | 31.4° | 120.4° |
| H17 | C25 | C26 | H33 | 32.4° | 144.6° |
| H17 | C25 | C26 | H34 | 89.1° | 21.4° |
| H21 | C12 | C13 | H22 | 51.1° | 62.5° |
| H21 | C12 | C13 | H23 | 170.4° | 57.7° |
| H21 | C12 | N6 | H28 | 179.8° | 158.9° |
| H22 | C13 | C14 | H24 | 48.3° | 57.6° |
| H22 | C13 | C14 | H25 | 71.1° | 62.4° |
| H23 | C13 | C14 | H24 | 167.6° | 177.7° |
| H23 | C13 | C14 | H25 | 48.2° | 57.8° |
| H24 | C14 | C15 | H26 | 177.7° | 179.2° |
| H24 | C14 | C15 | H27 | 57.2° | 59.2° |
| H25 | C14 | C15 | H26 | 58.3° | 59.2° |
| H25 | C14 | C15 | H27 | 62.2° | 60.9° |
| H33 | C26 | C27 | H35 | 20.4° | 160.6° |
| H33 | C26 | C27 | H36 | 142.1° | 37.5° |
| H34 | C26 | C27 | H35 | 101.0° | 37.4° |
| H34 | C26 | C27 | H36 | 20.7° | 85.7° |
