A1I4E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | N6 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | N6 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| N7 | C20 | sing | 1.47Å | 1.47Å | |
| N7 | C22 | sing | 1.47Å | 1.47Å | |
| N6 | C14 | sing | 1.40Å | 1.35Å | |
| C6 | O1 | sing | 1.43Å | 1.43Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C23 | C26 | sing | 1.54Å | 1.52Å | |
| C24 | C25 | sing | 1.54Å | 1.51Å | |
| O1 | C3 | sing | 1.36Å | 1.37Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N5 | sing | 1.32Å | 1.33Å | Aromatic |
| C25 | C26 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| N5 | C10 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.47Å | |
| C8 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| C8 | N4 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.46Å | |
| C5 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | N2 | sing | 1.34Å | 1.37Å | Aromatic |
| C9 | N4 | sing | 1.47Å | 1.44Å | |
| C9 | C12 | sing | 1.54Å | 1.53Å | |
| C9 | C11 | sing | 1.54Å | 1.52Å | |
| N4 | N3 | sing | 1.29Å | 1.35Å | Aromatic |
| C12 | O2 | sing | 1.44Å | 1.45Å | |
| N2 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| C11 | O2 | 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 | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N7 | H24 | sing | 1.01Å | 1.00Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | N6 | 106.8° | 109.5° |
| C17 | C18 | C19 | 111.4° | 109.3° |
| C18 | C17 | H15 | 110.1° | 109.5° |
| C18 | C17 | H16 | 110.1° | 109.5° |
| C17 | C18 | H17 | 109.0° | 109.5° |
| C17 | C18 | H18 | 109.0° | 109.6° |
| C17 | N6 | C21 | 109.5° | 111.2° |
| C17 | N6 | C14 | 125.2° | 111.0° |
| N6 | C17 | H15 | 110.1° | 109.5° |
| N6 | C17 | H16 | 110.1° | 109.5° |
| C18 | C19 | C20 | 111.9° | 109.2° |
| C19 | C18 | H17 | 109.0° | 109.5° |
| C19 | C18 | H18 | 109.0° | 109.5° |
| C18 | C19 | H19 | 108.9° | 109.5° |
| C18 | C19 | H20 | 108.9° | 109.5° |
| C19 | C20 | C21 | 112.0° | 109.3° |
| C19 | C20 | N7 | 111.1° | 109.5° |
| C20 | C19 | H19 | 108.9° | 109.6° |
| C20 | C19 | H20 | 108.9° | 109.5° |
| C19 | C20 | H21 | 107.4° | 109.5° |
| N6 | C21 | C20 | 107.2° | 109.5° |
| C21 | N6 | C14 | 123.0° | 111.0° |
| N6 | C21 | H22 | 110.0° | 109.4° |
| N6 | C21 | H23 | 110.0° | 109.5° |
| C21 | C20 | N7 | 110.7° | 109.5° |
| C21 | C20 | H21 | 107.2° | 109.5° |
| C20 | C21 | H22 | 110.0° | 109.5° |
| C20 | C21 | H23 | 110.0° | 109.5° |
| C20 | N7 | C22 | 115.3° | 111.0° |
| N7 | C20 | H21 | 108.2° | 109.5° |
| C20 | N7 | H24 | 108.0° | 111.0° |
| N7 | C22 | C23 | 109.9° | 109.5° |
| C22 | N7 | H24 | 108.0° | 111.0° |
| N7 | C22 | H26 | 109.4° | 109.4° |
| N7 | C22 | H27 | 109.4° | 109.4° |
| N6 | C14 | C13 | 121.3° | 120.5° |
| N6 | C14 | C15 | 120.2° | 120.5° |
| C6 | O1 | C3 | 119.4° | 117.0° |
| O1 | C6 | H4 | 109.5° | 109.5° |
| O1 | C6 | H5 | 109.5° | 109.4° |
| O1 | C6 | H6 | 109.4° | 109.4° |
| C22 | C23 | C24 | 114.7° | 113.6° |
| C22 | C23 | C26 | 116.2° | 113.6° |
| C23 | C22 | H26 | 109.4° | 109.5° |
| C23 | C22 | H27 | 109.4° | 109.5° |
| C22 | C23 | H28 | 111.7° | 112.8° |
| C24 | C23 | C26 | 89.2° | 87.1° |
| C23 | C24 | C25 | 88.9° | 87.1° |
| C24 | C23 | H28 | 111.6° | 113.6° |
| C23 | C24 | H29 | 114.4° | 113.6° |
| C23 | C24 | H30 | 114.3° | 113.6° |
| C23 | C26 | C25 | 88.6° | 87.1° |
| C26 | C23 | H28 | 111.7° | 113.7° |
| C23 | C26 | H33 | 114.4° | 113.6° |
| C23 | C26 | H34 | 114.4° | 113.6° |
| C24 | C25 | C26 | 89.2° | 87.1° |
| C25 | C24 | H29 | 114.3° | 113.6° |
| C25 | C24 | H30 | 114.4° | 113.6° |
| C24 | C25 | H31 | 114.3° | 113.6° |
| C24 | C25 | H32 | 114.3° | 113.6° |
| O1 | C3 | C4 | 126.3° | 120.4° |
| O1 | C3 | C2 | 115.3° | 120.4° |
| C13 | C14 | C15 | 117.6° | 119.0° |
| C14 | C13 | N5 | 121.7° | 120.7° |
| C14 | C13 | H12 | 119.1° | 119.7° |
| C14 | C15 | C16 | 119.8° | 118.4° |
| C14 | C15 | H13 | 120.1° | 120.8° |
| C13 | N5 | C10 | 120.2° | 121.8° |
| N5 | C13 | H12 | 119.2° | 119.7° |
| C26 | C25 | H31 | 114.3° | 113.6° |
| C26 | C25 | H32 | 114.3° | 113.6° |
| C25 | C26 | H33 | 114.4° | 113.6° |
| C25 | C26 | H34 | 114.4° | 113.6° |
| C4 | C3 | C2 | 118.5° | 119.2° |
| C3 | C4 | C5 | 119.2° | 118.3° |
| C3 | C4 | H3 | 120.4° | 120.9° |
| C3 | C2 | N1 | 123.5° | 120.9° |
| C3 | C2 | H2 | 118.3° | 119.5° |
| C15 | C16 | C10 | 118.9° | 119.2° |
| C16 | C15 | H13 | 120.1° | 120.8° |
| C15 | C16 | H14 | 120.5° | 120.4° |
| N5 | C10 | C16 | 121.6° | 120.9° |
| N5 | C10 | C9 | 117.3° | 119.5° |
| C4 | C5 | C7 | 121.9° | 120.5° |
| C4 | C5 | C1 | 118.0° | 119.0° |
| C5 | C4 | H3 | 120.4° | 120.9° |
| C2 | N1 | C1 | 116.9° | 121.9° |
| N1 | C2 | H2 | 118.3° | 119.6° |
| C16 | C10 | C9 | 121.1° | 119.5° |
| C10 | C16 | H14 | 120.5° | 120.4° |
| C10 | C9 | N4 | 110.4° | 113.0° |
| C10 | C9 | C12 | 121.2° | 113.8° |
| C10 | C9 | C11 | 119.1° | 114.0° |
| C7 | C8 | N4 | 105.3° | 106.0° |
| C8 | C7 | C5 | 131.9° | 126.9° |
| C8 | C7 | N2 | 107.8° | 106.2° |
| C7 | C8 | H7 | 127.3° | 127.0° |
| C8 | N4 | C9 | 128.6° | 125.7° |
| C8 | N4 | N3 | 110.6° | 108.5° |
| N4 | C8 | H7 | 127.4° | 127.0° |
| C7 | C5 | C1 | 120.0° | 120.6° |
| C5 | C7 | N2 | 120.2° | 126.9° |
| C5 | C1 | N1 | 123.9° | 120.7° |
| C5 | C1 | H1 | 118.0° | 119.6° |
| N1 | C1 | H1 | 118.0° | 119.6° |
| C7 | N2 | N3 | 108.9° | 108.8° |
| N4 | C9 | C12 | 108.8° | 113.8° |
| N4 | C9 | C11 | 108.1° | 113.8° |
| C9 | N4 | N3 | 120.8° | 125.7° |
| C12 | C9 | C11 | 86.8° | 85.8° |
| C9 | C12 | O2 | 89.5° | 85.5° |
| C9 | C12 | H10 | 114.2° | 113.9° |
| C9 | C12 | H11 | 114.2° | 113.9° |
| C9 | C11 | O2 | 89.6° | 85.5° |
| C9 | C11 | H8 | 114.2° | 113.8° |
| C9 | C11 | H9 | 114.2° | 113.9° |
| N4 | N3 | N2 | 107.3° | 110.5° |
| C12 | O2 | C11 | 92.4° | 93.3° |
| O2 | C12 | H10 | 114.2° | 113.8° |
| O2 | C12 | H11 | 114.2° | 113.9° |
| O2 | C11 | H8 | 114.2° | 113.9° |
| O2 | C11 | H9 | 114.2° | 113.9° |
| H4 | C6 | H5 | 109.4° | 109.5° |
| H4 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.4° | 113.2° |
| H10 | C12 | H11 | 109.5° | 113.1° |
| H15 | C17 | H16 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.4° | 109.6° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.4° | 109.5° |
| H29 | C24 | H30 | 109.4° | 112.9° |
| H31 | C25 | H32 | 109.5° | 112.9° |
| H33 | C26 | H34 | 109.4° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | N6 | H15 | 119.6° | 120.1° |
| C18 | C17 | N6 | H16 | 119.6° | 120.0° |
| C17 | C18 | C19 | H17 | 120.3° | 119.9° |
| C17 | C18 | C19 | H18 | 120.3° | 120.0° |
| C17 | C18 | C19 | C20 | 48.0° | 57.7° |
| C18 | C17 | N6 | C21 | 71.4° | 61.8° |
| C18 | C17 | N6 | C14 | 91.5° | 174.1° |
| C18 | C17 | H15 | H16 | 121.2° | 119.9° |
| C17 | C18 | H17 | H18 | 119.1° | 120.1° |
| C17 | C18 | C19 | H19 | 168.3° | 62.3° |
| C17 | C18 | C19 | H20 | 72.4° | 177.6° |
| N6 | C17 | C18 | C19 | 59.2° | 59.2° |
| C17 | N6 | C21 | C14 | 163.3° | 124.1° |
| C17 | N6 | C21 | C20 | 68.6° | 61.7° |
| C17 | N6 | C14 | C13 | 9.5° | 123.9° |
| C17 | N6 | C14 | C15 | 159.4° | 56.0° |
| N6 | C17 | H15 | H16 | 121.2° | 120.0° |
| N6 | C17 | C18 | H17 | 61.1° | 179.1° |
| N6 | C17 | C18 | H18 | 179.5° | 60.8° |
| C17 | N6 | C21 | H22 | 51.1° | 178.2° |
| C17 | N6 | C21 | H23 | 171.8° | 58.3° |
| C18 | C19 | C20 | H19 | 120.4° | 119.9° |
| C18 | C19 | C20 | H20 | 120.4° | 119.9° |
| C18 | C19 | C20 | C21 | 45.5° | 57.7° |
| C18 | C19 | C20 | N7 | 169.9° | 62.3° |
| C19 | C18 | C17 | H15 | 60.4° | 60.9° |
| C19 | C18 | C17 | H16 | 178.8° | 179.2° |
| C19 | C18 | H17 | H18 | 119.2° | 120.1° |
| C18 | C19 | H19 | H20 | 118.9° | 120.2° |
| C18 | C19 | C20 | H21 | 72.0° | 177.6° |
| C19 | C20 | C21 | N6 | 54.8° | 59.2° |
| C19 | C20 | C21 | N7 | 124.6° | 120.0° |
| C19 | C20 | C21 | H21 | 117.5° | 120.0° |
| C19 | C20 | N7 | H21 | 117.6° | 120.1° |
| C19 | C20 | N7 | C22 | 69.9° | 85.0° |
| C20 | C19 | C18 | H17 | 72.3° | 177.6° |
| C20 | C19 | C18 | H18 | 168.2° | 62.3° |
| C20 | C19 | H19 | H20 | 118.9° | 120.1° |
| C19 | C20 | C21 | H22 | 64.9° | 179.2° |
| C19 | C20 | C21 | H23 | 174.4° | 60.8° |
| C19 | C20 | N7 | H24 | 50.9° | 39.0° |
| N6 | C21 | C20 | H22 | 119.6° | 120.0° |
| N6 | C21 | C20 | H23 | 119.6° | 120.0° |
| N6 | C21 | C20 | N7 | 179.4° | 60.8° |
| C21 | N6 | C14 | C13 | 170.1° | 0.3° |
| C21 | N6 | C14 | C15 | 1.2° | 179.8° |
| C21 | N6 | C17 | H15 | 48.2° | 58.3° |
| C21 | N6 | C17 | H16 | 169.1° | 178.2° |
| N6 | C21 | C20 | H21 | 62.8° | 179.2° |
| N6 | C21 | H22 | H23 | 121.0° | 120.0° |
| C21 | C20 | N7 | H21 | 117.2° | 120.0° |
| C21 | C20 | N7 | C22 | 165.0° | 155.2° |
| C20 | C21 | N6 | C14 | 94.7° | 174.2° |
| C21 | C20 | C19 | H19 | 165.9° | 62.2° |
| C21 | C20 | C19 | H20 | 74.9° | 177.6° |
| C20 | C21 | H22 | H23 | 121.0° | 120.0° |
| C21 | C20 | N7 | H24 | 74.2° | 80.9° |
| C20 | N7 | C22 | H24 | 120.8° | 123.9° |
| C20 | N7 | C22 | C23 | 177.4° | 180.0° |
| N7 | C20 | C19 | H19 | 69.7° | 177.8° |
| N7 | C20 | C19 | H20 | 49.5° | 57.6° |
| N7 | C20 | C21 | H22 | 59.8° | 59.2° |
| N7 | C20 | C21 | H23 | 60.9° | 179.2° |
| C20 | N7 | C22 | H26 | 57.3° | 60.0° |
| C20 | N7 | C22 | H27 | 62.6° | 60.0° |
| N7 | C22 | C23 | H26 | 120.1° | 120.0° |
| N7 | C22 | C23 | H27 | 120.1° | 120.0° |
| N7 | C22 | C23 | C24 | 168.7° | 175.0° |
| N7 | C22 | C23 | C26 | 89.2° | 87.5° |
| C22 | N7 | C20 | H21 | 47.7° | 35.1° |
| N7 | C22 | H26 | H27 | 119.8° | 119.9° |
| N7 | C22 | C23 | H28 | 40.4° | 43.8° |
| N6 | C14 | C13 | C15 | 169.2° | 180.0° |
| N6 | C14 | C13 | N5 | 175.3° | 179.9° |
| N6 | C14 | C15 | C16 | 175.3° | 179.8° |
| N6 | C14 | C13 | H12 | 4.7° | 0.1° |
| N6 | C14 | C15 | H13 | 4.7° | 0.1° |
| C14 | N6 | C17 | H15 | 148.9° | 65.8° |
| C14 | N6 | C17 | H16 | 28.1° | 54.1° |
| C14 | N6 | C21 | H22 | 145.7° | 54.1° |
| C14 | N6 | C21 | H23 | 24.9° | 65.8° |
| C6 | O1 | C3 | C4 | 3.9° | 180.0° |
| C6 | O1 | C3 | C2 | 176.0° | 0.3° |
| O1 | C6 | H4 | H5 | 120.0° | 120.0° |
| O1 | C6 | H4 | H6 | 120.0° | 120.0° |
| O1 | C6 | H5 | H6 | 120.0° | 119.9° |
| C22 | C23 | C24 | C26 | 118.7° | 114.5° |
| C22 | C23 | C24 | H28 | 128.3° | 130.8° |
| C22 | C23 | C26 | H28 | 129.7° | 130.9° |
| C22 | C23 | C24 | C25 | 134.0° | 140.0° |
| C22 | C23 | C26 | C25 | 132.5° | 140.0° |
| C23 | C22 | N7 | H24 | 61.8° | 56.0° |
| C23 | C22 | H26 | H27 | 119.8° | 120.1° |
| C22 | C23 | C24 | H29 | 17.7° | 25.4° |
| C22 | C23 | C24 | H30 | 109.6° | 105.5° |
| C22 | C23 | C26 | H33 | 111.2° | 105.5° |
| C22 | C23 | C26 | H34 | 16.3° | 25.4° |
| C24 | C23 | C26 | H28 | 113.0° | 114.6° |
| C23 | C24 | C25 | H29 | 116.4° | 114.5° |
| C23 | C24 | C25 | H30 | 116.3° | 114.6° |
| C24 | C23 | C26 | C25 | 15.2° | 25.4° |
| C24 | C23 | C22 | H26 | 71.2° | 65.0° |
| C24 | C23 | C22 | H27 | 48.6° | 55.0° |
| C23 | C24 | H29 | H30 | 129.8° | 131.3° |
| C23 | C24 | C25 | H31 | 131.7° | 140.0° |
| C23 | C24 | C25 | H32 | 101.1° | 89.1° |
| C24 | C23 | C26 | H33 | 131.5° | 140.0° |
| C24 | C23 | C26 | H34 | 101.0° | 89.1° |
| C23 | C26 | C25 | H33 | 116.3° | 114.5° |
| C23 | C26 | C25 | H34 | 116.3° | 114.6° |
| C26 | C23 | C22 | H26 | 30.9° | 32.5° |
| C26 | C23 | C22 | H27 | 150.7° | 152.5° |
| C26 | C23 | C24 | H29 | 101.0° | 89.1° |
| C26 | C23 | C24 | H30 | 131.7° | 140.0° |
| C23 | C26 | C25 | H31 | 131.7° | 140.0° |
| C23 | C26 | C25 | H32 | 101.1° | 89.1° |
| C23 | C26 | H33 | H34 | 129.9° | 131.3° |
| C24 | C25 | C26 | H31 | 116.4° | 114.5° |
| C24 | C25 | C26 | H32 | 116.4° | 114.6° |
| C25 | C24 | C23 | H28 | 97.7° | 89.3° |
| C25 | C24 | H29 | H30 | 129.8° | 131.2° |
| C24 | C25 | H31 | H32 | 129.6° | 131.2° |
| C24 | C25 | C26 | H33 | 131.6° | 140.0° |
| C24 | C25 | C26 | H34 | 100.9° | 89.1° |
| O1 | C3 | C4 | C2 | 179.9° | 179.7° |
| O1 | C3 | C4 | C5 | 179.8° | 180.0° |
| O1 | C3 | C2 | N1 | 179.5° | 179.7° |
| O1 | C3 | C2 | H2 | 0.5° | 0.3° |
| O1 | C3 | C4 | H3 | 0.2° | 0.2° |
| C3 | O1 | C6 | H4 | 180.0° | 180.0° |
| C3 | O1 | C6 | H5 | 60.0° | 60.0° |
| C3 | O1 | C6 | H6 | 60.0° | 60.0° |
| C14 | C13 | N5 | H12 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 6.0° | 0.2° |
| C14 | C13 | N5 | C10 | 2.9° | 0.1° |
| C13 | C14 | C15 | H13 | 174.0° | 180.0° |
| C15 | C14 | C13 | N5 | 6.2° | 0.1° |
| C14 | C15 | C16 | H13 | 180.0° | 179.8° |
| C14 | C15 | C16 | C10 | 2.8° | 0.5° |
| C15 | C14 | C13 | H12 | 173.8° | 180.0° |
| C14 | C15 | C16 | H14 | 177.2° | 180.0° |
| C13 | N5 | C10 | C16 | 0.6° | 0.2° |
| C13 | N5 | C10 | C9 | 179.5° | 180.0° |
| C25 | C26 | C23 | H28 | 97.8° | 89.1° |
| C26 | C25 | C24 | H29 | 101.1° | 89.1° |
| C26 | C25 | C24 | H30 | 131.6° | 140.0° |
| C26 | C25 | H31 | H32 | 129.6° | 131.3° |
| C25 | C26 | H33 | H34 | 129.9° | 131.3° |
| C3 | C4 | C5 | H3 | 180.0° | 179.8° |
| C4 | C3 | C2 | N1 | 0.4° | 0.0° |
| C3 | C4 | C5 | C7 | 178.3° | 180.0° |
| C3 | C4 | C5 | C1 | 1.0° | 0.5° |
| C4 | C3 | C2 | H2 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C3 | C2 | N1 | H2 | 180.0° | 180.0° |
| C3 | C2 | N1 | C1 | 1.7° | 0.0° |
| C2 | C3 | C4 | H3 | 179.9° | 179.9° |
| C15 | C16 | C10 | N5 | 0.6° | 0.5° |
| C15 | C16 | C10 | H14 | 180.0° | 179.5° |
| C15 | C16 | C10 | C9 | 179.4° | 179.7° |
| N5 | C10 | C16 | C9 | 179.9° | 179.8° |
| N5 | C10 | C9 | N4 | 89.5° | 144.7° |
| N5 | C10 | C9 | C12 | 39.4° | 12.9° |
| N5 | C10 | C9 | C11 | 144.6° | 83.4° |
| C10 | N5 | C13 | H12 | 177.1° | 180.0° |
| N5 | C10 | C16 | H14 | 179.4° | 180.0° |
| C4 | C5 | C7 | C8 | 4.5° | 179.7° |
| C4 | C5 | C7 | C1 | 177.2° | 179.5° |
| C4 | C5 | C1 | N1 | 2.4° | 0.6° |
| C4 | C5 | C7 | N2 | 172.4° | 0.0° |
| C4 | C5 | C1 | H1 | 177.6° | 179.8° |
| C2 | N1 | C1 | C5 | 2.7° | 0.3° |
| C2 | N1 | C1 | H1 | 177.3° | 180.0° |
| C16 | C10 | C9 | N4 | 90.5° | 35.1° |
| C16 | C10 | C9 | C12 | 140.6° | 166.9° |
| C16 | C10 | C9 | C11 | 35.3° | 96.8° |
| C10 | C16 | C15 | H13 | 177.2° | 179.7° |
| C10 | C9 | N4 | C8 | 43.1° | 62.9° |
| C10 | C9 | N4 | C12 | 135.3° | 131.8° |
| C10 | C9 | N4 | C11 | 131.8° | 132.0° |
| C10 | C9 | C12 | C11 | 122.4° | 114.4° |
| C10 | C9 | N4 | N3 | 137.2° | 116.9° |
| C10 | C9 | C12 | O2 | 132.0° | 137.0° |
| C10 | C9 | C11 | O2 | 133.8° | 136.8° |
| C10 | C9 | C11 | H8 | 17.3° | 22.7° |
| C10 | C9 | C11 | H9 | 109.7° | 109.0° |
| C10 | C9 | C12 | H10 | 111.5° | 108.9° |
| C10 | C9 | C12 | H11 | 15.5° | 22.8° |
| C9 | C10 | C16 | H14 | 0.5° | 0.2° |
| C7 | C8 | N4 | H7 | 180.0° | 179.8° |
| C8 | C7 | C5 | N2 | 177.0° | 179.7° |
| C8 | C7 | C5 | C1 | 178.3° | 0.8° |
| C7 | C8 | N4 | C9 | 179.1° | 179.9° |
| C7 | C8 | N4 | N3 | 1.2° | 0.4° |
| C8 | C7 | N2 | N3 | 1.6° | 0.3° |
| N4 | C8 | C7 | C5 | 178.9° | 179.9° |
| N4 | C8 | C7 | N2 | 1.7° | 0.4° |
| C8 | N4 | C9 | N3 | 179.7° | 179.7° |
| C8 | N4 | C9 | C12 | 92.2° | 165.3° |
| C8 | N4 | C9 | C11 | 174.9° | 69.1° |
| C8 | N4 | N3 | N2 | 0.2° | 0.2° |
| C7 | C5 | C1 | N1 | 179.7° | 179.9° |
| C5 | C7 | N2 | N3 | 179.2° | 180.0° |
| C7 | C5 | C1 | H1 | 0.3° | 0.3° |
| C7 | C5 | C4 | H3 | 1.7° | 0.2° |
| C5 | C7 | C8 | H7 | 1.1° | 0.1° |
| C5 | C1 | N1 | H1 | 180.0° | 179.6° |
| C1 | C5 | C7 | N2 | 4.7° | 179.5° |
| C1 | C5 | C4 | H3 | 179.0° | 179.6° |
| C1 | N1 | C2 | H2 | 178.3° | 180.0° |
| C7 | N2 | N3 | N4 | 0.8° | 0.0° |
| N2 | C7 | C8 | H7 | 178.4° | 179.8° |
| N4 | C9 | C12 | C11 | 108.1° | 114.2° |
| N4 | C9 | C12 | O2 | 98.5° | 91.6° |
| C9 | N4 | N3 | N2 | 180.0° | 180.0° |
| N4 | C9 | C11 | O2 | 99.3° | 91.6° |
| C9 | N4 | C8 | H7 | 0.9° | 0.0° |
| N4 | C9 | C11 | H8 | 144.2° | 154.3° |
| N4 | C9 | C11 | H9 | 17.2° | 22.5° |
| N4 | C9 | C12 | H10 | 18.0° | 22.5° |
| N4 | C9 | C12 | H11 | 145.1° | 154.2° |
| C12 | C9 | N4 | N3 | 87.5° | 15.0° |
| C9 | C12 | O2 | H10 | 116.5° | 114.2° |
| C9 | C12 | O2 | H11 | 116.5° | 114.2° |
| C12 | C9 | C11 | O2 | 9.5° | 22.6° |
| C12 | C9 | C11 | H8 | 107.0° | 91.5° |
| C12 | C9 | C11 | H9 | 126.0° | 136.7° |
| C9 | C12 | H10 | H11 | 129.4° | 132.0° |
| C11 | C9 | N4 | N3 | 5.4° | 111.1° |
| C9 | C11 | O2 | H8 | 116.5° | 114.1° |
| C9 | C11 | O2 | H9 | 116.5° | 114.1° |
| C9 | C11 | H8 | H9 | 129.4° | 132.1° |
| C11 | C9 | C12 | H10 | 126.1° | 136.7° |
| C11 | C9 | C12 | H11 | 106.9° | 91.6° |
| N3 | N4 | C8 | H7 | 178.8° | 179.8° |
| C12 | O2 | C11 | H8 | 106.4° | 89.9° |
| C12 | O2 | C11 | H9 | 126.6° | 138.3° |
| O2 | C12 | H10 | H11 | 129.5° | 132.1° |
| O2 | C11 | H8 | H9 | 129.4° | 132.1° |
| C11 | O2 | C12 | H10 | 126.5° | 138.4° |
| C11 | O2 | C12 | H11 | 106.5° | 90.0° |
| H4 | C6 | H5 | H6 | 120.0° | 120.1° |
| H13 | C15 | C16 | H14 | 2.8° | 0.2° |
| H15 | C17 | C18 | H17 | 179.4° | 59.1° |
| H15 | C17 | C18 | H18 | 59.9° | 179.2° |
| H16 | C17 | C18 | H17 | 58.5° | 60.9° |
| H16 | C17 | C18 | H18 | 60.9° | 59.2° |
| H17 | C18 | C19 | H19 | 48.1° | 57.7° |
| H17 | C18 | C19 | H20 | 167.3° | 62.5° |
| H18 | C18 | C19 | H19 | 71.4° | 177.7° |
| H18 | C18 | C19 | H20 | 47.9° | 57.6° |
| H19 | C19 | C20 | H21 | 48.4° | 57.7° |
| H20 | C19 | C20 | H21 | 167.7° | 62.5° |
| H21 | C20 | C21 | H22 | 177.6° | 60.8° |
| H21 | C20 | C21 | H23 | 56.9° | 59.2° |
| H21 | C20 | N7 | H24 | 168.6° | 159.1° |
| H24 | N7 | C22 | H26 | 178.1° | 176.1° |
| H24 | N7 | C22 | H27 | 58.3° | 64.0° |
| H26 | C22 | C23 | H28 | 160.5° | 163.8° |
| H27 | C22 | C23 | H28 | 79.7° | 76.2° |
| H28 | C23 | C24 | H29 | 146.0° | 156.2° |
| H28 | C23 | C24 | H30 | 18.7° | 25.3° |
| H28 | C23 | C26 | H33 | 18.5° | 25.4° |
| H28 | C23 | C26 | H34 | 145.9° | 156.3° |
| H29 | C24 | C25 | H31 | 15.3° | 25.5° |
| H29 | C24 | C25 | H32 | 142.5° | 156.3° |
| H30 | C24 | C25 | H31 | 112.0° | 105.4° |
| H30 | C24 | C25 | H32 | 15.2° | 25.4° |
| H31 | C25 | C26 | H33 | 112.0° | 105.5° |
| H31 | C25 | C26 | H34 | 15.5° | 25.4° |
| H32 | C25 | C26 | H33 | 15.2° | 25.4° |
| H32 | C25 | C26 | H34 | 142.6° | 156.3° |
