A1III
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | N7 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | N7 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.54Å | 1.56Å | |
| N8 | C20 | sing | 1.47Å | 1.46Å | |
| N8 | C22 | sing | 1.47Å | 1.47Å | |
| N7 | C14 | sing | 1.38Å | 1.37Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C6 | N2 | sing | 1.46Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C23 | C25 | sing | 1.53Å | 1.49Å | |
| C7 | N2 | sing | 1.47Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | |
| C15 | C16 | sing | 1.40Å | 1.42Å | |
| C14 | C13 | sing | 1.41Å | 1.40Å | |
| N2 | C3 | sing | 1.40Å | 1.37Å | |
| C16 | O1 | doub | 1.22Å | 1.23Å | |
| C16 | N6 | sing | 1.35Å | 1.40Å | |
| C13 | C12 | doub | 1.35Å | 1.35Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C12 | sing | 1.36Å | 1.36Å | |
| N6 | C10 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C9 | N3 | sing | 1.35Å | 1.35Å | Aromatic |
| C1 | C8 | sing | 1.48Å | 1.46Å | |
| C1 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | N3 | sing | 1.46Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C8 | N5 | sing | 1.34Å | 1.36Å | Aromatic |
| N3 | N4 | sing | 1.29Å | 1.36Å | Aromatic |
| N5 | N4 | doub | 1.29Å | 1.32Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | 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 | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| N8 | H27 | sing | 1.01Å | 1.00Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | N7 | 108.1° | 108.7° |
| C17 | C18 | C19 | 110.3° | 109.3° |
| C18 | C17 | H18 | 109.8° | 109.6° |
| C18 | C17 | H19 | 109.8° | 109.6° |
| C17 | C18 | H20 | 109.2° | 109.5° |
| C17 | C18 | H21 | 109.3° | 109.5° |
| C17 | N7 | C21 | 110.1° | 118.7° |
| C17 | N7 | C14 | 123.7° | 120.6° |
| N7 | C17 | H18 | 109.8° | 109.6° |
| N7 | C17 | H19 | 109.8° | 109.6° |
| C18 | C19 | C20 | 110.8° | 109.6° |
| C19 | C18 | H20 | 109.3° | 109.5° |
| C19 | C18 | H21 | 109.2° | 109.5° |
| C18 | C19 | H22 | 109.1° | 109.5° |
| C18 | C19 | H23 | 109.1° | 109.5° |
| C19 | C20 | C21 | 112.0° | 109.3° |
| C19 | C20 | N8 | 110.1° | 109.5° |
| C20 | C19 | H22 | 109.1° | 109.5° |
| C20 | C19 | H23 | 109.2° | 109.4° |
| C19 | C20 | H24 | 107.7° | 109.5° |
| N7 | C21 | C20 | 108.8° | 108.5° |
| C21 | N7 | C14 | 124.7° | 120.7° |
| N7 | C21 | H25 | 109.6° | 109.6° |
| N7 | C21 | H26 | 109.6° | 109.6° |
| C21 | C20 | N8 | 110.9° | 109.5° |
| C21 | C20 | H24 | 107.3° | 109.7° |
| C20 | C21 | H25 | 109.6° | 109.7° |
| C20 | C21 | H26 | 109.6° | 109.7° |
| C20 | N8 | C22 | 116.1° | 111.0° |
| N8 | C20 | H24 | 108.6° | 109.5° |
| C20 | N8 | H27 | 107.8° | 111.0° |
| N8 | C22 | C23 | 107.3° | 109.5° |
| C22 | N8 | H27 | 107.8° | 111.0° |
| N8 | C22 | H29 | 110.0° | 109.5° |
| N8 | C22 | H30 | 110.0° | 109.5° |
| N7 | C14 | C15 | 119.7° | 120.5° |
| N7 | C14 | C13 | 121.2° | 120.5° |
| C22 | C23 | C24 | 121.3° | 117.5° |
| C22 | C23 | C25 | 118.4° | 117.5° |
| C23 | C22 | H29 | 110.0° | 109.5° |
| C23 | C22 | H30 | 110.0° | 109.5° |
| C22 | C23 | H31 | 115.2° | 115.5° |
| C6 | N2 | C7 | 115.9° | 120.0° |
| C6 | N2 | C3 | 121.3° | 120.0° |
| N2 | C6 | H4 | 109.5° | 109.4° |
| N2 | C6 | H5 | 109.5° | 109.5° |
| N2 | C6 | H6 | 109.5° | 109.5° |
| C24 | C23 | C25 | 60.1° | 60.0° |
| C23 | C24 | C25 | 59.8° | 60.0° |
| C24 | C23 | H31 | 115.3° | 117.5° |
| C23 | C24 | H32 | 120.0° | 117.4° |
| C23 | C24 | H33 | 120.0° | 117.6° |
| C23 | C25 | C24 | 60.0° | 60.0° |
| C25 | C23 | H31 | 115.4° | 117.5° |
| C23 | C25 | H34 | 120.0° | 117.5° |
| C23 | C25 | H35 | 120.0° | 117.5° |
| C7 | N2 | C3 | 122.8° | 120.0° |
| N2 | C7 | H7 | 109.5° | 109.4° |
| N2 | C7 | H8 | 109.5° | 109.5° |
| N2 | C7 | H9 | 109.5° | 109.5° |
| C25 | C24 | H32 | 120.0° | 117.4° |
| C25 | C24 | H33 | 120.0° | 117.5° |
| C24 | C25 | H34 | 120.0° | 117.5° |
| C24 | C25 | H35 | 120.0° | 117.5° |
| C14 | C15 | C16 | 120.0° | 119.1° |
| C15 | C14 | C13 | 118.9° | 119.0° |
| C14 | C15 | H17 | 120.0° | 120.5° |
| C15 | C16 | O1 | 123.9° | 119.9° |
| C15 | C16 | N6 | 117.9° | 120.2° |
| C16 | C15 | H17 | 120.0° | 120.4° |
| C14 | C13 | C12 | 120.9° | 119.8° |
| C14 | C13 | H16 | 119.5° | 120.1° |
| N2 | C3 | C2 | 120.9° | 120.4° |
| N2 | C3 | C4 | 121.2° | 120.4° |
| O1 | C16 | N6 | 118.2° | 119.9° |
| C16 | N6 | C12 | 121.0° | 121.2° |
| C16 | N6 | C10 | 118.6° | 119.4° |
| C13 | C12 | N6 | 121.2° | 120.9° |
| C13 | C12 | H15 | 119.4° | 119.6° |
| C12 | C13 | H16 | 119.5° | 120.1° |
| C2 | C3 | C4 | 117.8° | 119.1° |
| C3 | C2 | C1 | 120.3° | 118.2° |
| C3 | C2 | H1 | 119.9° | 120.8° |
| C3 | C4 | N1 | 122.7° | 120.9° |
| C3 | C4 | H2 | 118.7° | 119.6° |
| C2 | C1 | C8 | 119.8° | 120.5° |
| C2 | C1 | C5 | 117.4° | 119.0° |
| C1 | C2 | H1 | 119.9° | 120.9° |
| C4 | N1 | C5 | 118.3° | 122.0° |
| N1 | C4 | H2 | 118.7° | 119.5° |
| C12 | N6 | C10 | 120.3° | 119.4° |
| N6 | C12 | H15 | 119.4° | 119.5° |
| N6 | C10 | N3 | 113.1° | 109.4° |
| N6 | C10 | C11 | 111.9° | 109.5° |
| N6 | C10 | H11 | 106.8° | 109.4° |
| C8 | C9 | N3 | 105.6° | 106.0° |
| C9 | C8 | C1 | 129.6° | 126.9° |
| C9 | C8 | N5 | 107.8° | 106.2° |
| C8 | C9 | H10 | 127.2° | 127.0° |
| C9 | N3 | C10 | 127.8° | 125.7° |
| C9 | N3 | N4 | 110.5° | 108.5° |
| N3 | C9 | H10 | 127.2° | 127.0° |
| C8 | C1 | C5 | 122.8° | 120.5° |
| C1 | C8 | N5 | 122.5° | 126.9° |
| C1 | C5 | N1 | 123.5° | 120.7° |
| C1 | C5 | H3 | 118.2° | 119.6° |
| N1 | C5 | H3 | 118.3° | 119.6° |
| N3 | C10 | C11 | 111.4° | 109.5° |
| C10 | N3 | N4 | 121.7° | 125.8° |
| N3 | C10 | H11 | 107.0° | 109.5° |
| C11 | C10 | H11 | 106.2° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.4° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C8 | N5 | N4 | 109.5° | 108.8° |
| N3 | N4 | N5 | 106.6° | 110.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H6 | 109.4° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.4° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.7° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.4° |
| H25 | C21 | H26 | 109.5° | 109.7° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H32 | C24 | H33 | 109.5° | 115.6° |
| H34 | C25 | H35 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | N7 | H18 | 119.8° | 119.7° |
| C18 | C17 | N7 | H19 | 119.8° | 119.8° |
| C17 | C18 | C19 | H20 | 120.1° | 120.0° |
| C17 | C18 | C19 | H21 | 120.1° | 120.0° |
| C17 | C18 | C19 | C20 | 52.9° | 61.4° |
| C18 | C17 | N7 | C21 | 68.0° | 53.9° |
| C18 | C17 | N7 | C14 | 98.6° | 126.4° |
| C18 | C17 | H18 | H19 | 120.6° | 120.4° |
| C17 | C18 | H20 | H21 | 119.6° | 120.1° |
| C17 | C18 | C19 | H22 | 173.1° | 178.6° |
| C17 | C18 | C19 | H23 | 67.3° | 58.6° |
| N7 | C17 | C18 | C19 | 61.5° | 54.7° |
| C17 | N7 | C21 | C14 | 166.4° | 179.6° |
| C17 | N7 | C21 | C20 | 63.1° | 54.0° |
| C17 | N7 | C14 | C15 | 15.0° | 6.5° |
| C17 | N7 | C14 | C13 | 160.1° | 173.5° |
| N7 | C17 | H18 | H19 | 120.6° | 120.4° |
| N7 | C17 | C18 | H20 | 58.6° | 65.3° |
| N7 | C17 | C18 | H21 | 178.3° | 174.7° |
| C17 | N7 | C21 | H25 | 56.8° | 65.8° |
| C17 | N7 | C21 | H26 | 177.0° | 173.7° |
| C18 | C19 | C20 | H22 | 120.2° | 120.0° |
| C18 | C19 | C20 | H23 | 120.2° | 120.0° |
| C18 | C19 | C20 | C21 | 48.8° | 61.5° |
| C18 | C19 | C20 | N8 | 172.7° | 178.6° |
| C19 | C18 | C17 | H18 | 58.3° | 174.4° |
| C19 | C18 | C17 | H19 | 178.7° | 65.2° |
| C19 | C18 | H20 | H21 | 119.6° | 120.1° |
| C18 | C19 | H22 | H23 | 119.4° | 120.0° |
| C18 | C19 | C20 | H24 | 68.9° | 58.6° |
| C19 | C20 | C21 | N7 | 53.7° | 54.9° |
| C19 | C20 | C21 | N8 | 123.5° | 119.9° |
| C19 | C20 | C21 | H24 | 118.0° | 120.0° |
| C19 | C20 | N8 | H24 | 117.7° | 120.0° |
| C19 | C20 | N8 | C22 | 62.6° | 85.0° |
| C20 | C19 | C18 | H20 | 67.2° | 58.6° |
| C20 | C19 | C18 | H21 | 173.1° | 178.7° |
| C20 | C19 | H22 | H23 | 119.4° | 119.9° |
| C19 | C20 | C21 | H25 | 66.2° | 64.9° |
| C19 | C20 | C21 | H26 | 173.6° | 174.6° |
| C19 | C20 | N8 | H27 | 58.3° | 39.0° |
| N7 | C21 | C20 | H25 | 119.9° | 119.7° |
| N7 | C21 | C20 | H26 | 119.9° | 119.7° |
| N7 | C21 | C20 | N8 | 177.2° | 174.8° |
| C21 | N7 | C14 | C15 | 179.6° | 173.1° |
| C21 | N7 | C14 | C13 | 4.5° | 6.8° |
| C21 | N7 | C17 | H18 | 51.8° | 173.7° |
| C21 | N7 | C17 | H19 | 172.2° | 65.9° |
| N7 | C21 | C20 | H24 | 64.3° | 65.1° |
| N7 | C21 | H25 | H26 | 120.3° | 120.4° |
| C21 | C20 | N8 | H24 | 117.8° | 120.2° |
| C21 | C20 | N8 | C22 | 172.9° | 155.2° |
| C20 | C21 | N7 | C14 | 103.3° | 126.4° |
| C21 | C20 | C19 | H22 | 169.0° | 178.5° |
| C21 | C20 | C19 | H23 | 71.4° | 58.5° |
| C20 | C21 | H25 | H26 | 120.3° | 120.6° |
| C21 | C20 | N8 | H27 | 66.2° | 80.8° |
| C20 | N8 | C22 | H27 | 120.9° | 124.0° |
| C20 | N8 | C22 | C23 | 170.1° | 180.0° |
| N8 | C20 | C19 | H22 | 67.0° | 58.6° |
| N8 | C20 | C19 | H23 | 52.5° | 61.3° |
| N8 | C20 | C21 | H25 | 57.2° | 55.0° |
| N8 | C20 | C21 | H26 | 62.9° | 65.6° |
| C20 | N8 | C22 | H29 | 50.4° | 59.9° |
| C20 | N8 | C22 | H30 | 70.2° | 60.0° |
| N8 | C22 | C23 | H29 | 119.7° | 120.1° |
| N8 | C22 | C23 | H30 | 119.7° | 120.0° |
| N8 | C22 | C23 | C24 | 170.8° | 174.9° |
| N8 | C22 | C23 | C25 | 100.3° | 116.4° |
| C22 | N8 | C20 | H24 | 55.1° | 35.0° |
| N8 | C22 | H29 | H30 | 121.0° | 120.0° |
| N8 | C22 | C23 | H31 | 42.2° | 29.3° |
| N7 | C14 | C15 | C13 | 175.2° | 180.0° |
| N7 | C14 | C15 | C16 | 176.6° | 179.8° |
| N7 | C14 | C13 | C12 | 176.3° | 180.0° |
| N7 | C14 | C13 | H16 | 3.8° | 0.0° |
| N7 | C14 | C15 | H17 | 3.4° | 0.1° |
| C14 | N7 | C17 | H18 | 141.6° | 6.7° |
| C14 | N7 | C17 | H19 | 21.2° | 113.8° |
| C14 | N7 | C21 | H25 | 136.8° | 113.8° |
| C14 | N7 | C21 | H26 | 16.6° | 6.7° |
| C22 | C23 | C24 | C25 | 107.0° | 107.5° |
| C22 | C23 | C24 | H31 | 147.0° | 144.9° |
| C22 | C23 | C25 | H31 | 142.4° | 145.0° |
| C23 | C22 | N8 | H27 | 69.0° | 56.0° |
| C23 | C22 | H29 | H30 | 121.0° | 120.0° |
| C22 | C23 | C24 | H32 | 2.4° | 0.1° |
| C22 | C23 | C24 | H33 | 143.5° | 145.0° |
| C22 | C23 | C25 | H34 | 138.8° | 145.0° |
| C22 | C23 | C25 | H35 | 2.2° | 0.0° |
| C6 | N2 | C7 | C3 | 177.9° | 179.9° |
| C6 | N2 | C3 | C2 | 2.6° | 0.1° |
| C6 | N2 | C3 | C4 | 175.5° | 180.0° |
| N2 | C6 | H4 | H5 | 120.0° | 120.0° |
| N2 | C6 | H4 | H6 | 120.0° | 119.9° |
| N2 | C6 | H5 | H6 | 120.0° | 120.1° |
| C6 | N2 | C7 | H7 | 180.0° | 90.0° |
| C6 | N2 | C7 | H8 | 60.0° | 150.0° |
| C6 | N2 | C7 | H9 | 60.0° | 30.0° |
| C24 | C23 | C25 | H31 | 105.9° | 107.4° |
| C23 | C24 | C25 | H32 | 109.4° | 107.4° |
| C23 | C24 | C25 | H33 | 109.4° | 107.5° |
| C24 | C23 | C22 | H29 | 51.1° | 65.0° |
| C24 | C23 | C22 | H30 | 69.5° | 55.0° |
| C23 | C24 | H32 | H33 | 144.8° | 145.7° |
| C24 | C23 | C25 | H34 | 109.5° | 107.5° |
| C24 | C23 | C25 | H35 | 109.5° | 107.5° |
| C25 | C23 | C22 | H29 | 19.4° | 3.7° |
| C25 | C23 | C22 | H30 | 140.0° | 123.6° |
| C23 | C25 | H34 | H35 | 144.7° | 145.7° |
| C7 | N2 | C3 | C2 | 179.5° | 180.0° |
| C7 | N2 | C3 | C4 | 2.3° | 0.0° |
| C7 | N2 | C6 | H4 | 180.0° | 0.0° |
| C7 | N2 | C6 | H5 | 60.0° | 119.9° |
| C7 | N2 | C6 | H6 | 60.0° | 120.0° |
| N2 | C7 | H7 | H8 | 120.0° | 120.0° |
| N2 | C7 | H7 | H9 | 120.0° | 120.0° |
| N2 | C7 | H8 | H9 | 120.0° | 120.0° |
| C25 | C24 | H32 | H33 | 144.8° | 145.7° |
| C24 | C25 | H34 | H35 | 144.7° | 145.7° |
| C14 | C15 | C16 | H17 | 180.0° | 179.7° |
| C14 | C15 | C16 | O1 | 179.2° | 180.0° |
| C14 | C15 | C16 | N6 | 0.3° | 0.5° |
| C15 | C14 | C13 | C12 | 1.2° | 0.0° |
| C15 | C14 | C13 | H16 | 178.9° | 179.9° |
| C16 | C15 | C14 | C13 | 1.4° | 0.3° |
| C15 | C16 | O1 | N6 | 179.5° | 179.5° |
| C15 | C16 | N6 | C12 | 1.1° | 0.5° |
| C15 | C16 | N6 | C10 | 178.7° | 179.7° |
| C14 | C13 | C12 | H16 | 180.0° | 179.9° |
| C14 | C13 | C12 | N6 | 0.3° | 0.0° |
| C14 | C13 | C12 | H15 | 179.7° | 180.0° |
| C13 | C14 | C15 | H17 | 178.6° | 180.0° |
| N2 | C3 | C2 | C4 | 178.2° | 180.0° |
| N2 | C3 | C2 | C1 | 177.8° | 180.0° |
| N2 | C3 | C4 | N1 | 179.3° | 180.0° |
| N2 | C3 | C2 | H1 | 2.3° | 0.0° |
| N2 | C3 | C4 | H2 | 0.7° | 0.0° |
| C3 | N2 | C6 | H4 | 2.0° | 180.0° |
| C3 | N2 | C6 | H5 | 122.0° | 60.0° |
| C3 | N2 | C6 | H6 | 117.9° | 60.1° |
| C3 | N2 | C7 | H7 | 2.1° | 90.0° |
| C3 | N2 | C7 | H8 | 117.9° | 30.0° |
| C3 | N2 | C7 | H9 | 122.1° | 150.0° |
| O1 | C16 | N6 | C12 | 179.4° | 180.0° |
| O1 | C16 | N6 | C10 | 1.8° | 0.2° |
| O1 | C16 | C15 | H17 | 0.9° | 0.3° |
| C16 | N6 | C12 | C13 | 1.4° | 0.3° |
| C16 | N6 | C12 | C10 | 177.6° | 179.7° |
| C16 | N6 | C10 | N3 | 97.9° | 59.7° |
| C16 | N6 | C10 | C11 | 135.4° | 60.3° |
| C16 | N6 | C10 | H11 | 19.6° | 179.8° |
| C16 | N6 | C12 | H15 | 178.5° | 179.8° |
| N6 | C16 | C15 | H17 | 179.7° | 179.8° |
| C13 | C12 | N6 | H15 | 180.0° | 180.0° |
| C13 | C12 | N6 | C10 | 179.0° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | N1 | 1.1° | 0.0° |
| C3 | C2 | C1 | C8 | 179.2° | 180.0° |
| C3 | C2 | C1 | C5 | 2.8° | 0.3° |
| C2 | C3 | C4 | H2 | 178.9° | 180.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.1° |
| C3 | C4 | N1 | H2 | 180.0° | 180.0° |
| C3 | C4 | N1 | C5 | 0.2° | 0.3° |
| C4 | C3 | C2 | H1 | 179.6° | 180.0° |
| C2 | C1 | C8 | C9 | 7.3° | 174.8° |
| C2 | C1 | C8 | C5 | 176.2° | 179.7° |
| C2 | C1 | C5 | N1 | 3.9° | 0.6° |
| C2 | C1 | C8 | N5 | 169.8° | 5.3° |
| C2 | C1 | C5 | H3 | 176.0° | 179.7° |
| C4 | N1 | C5 | C1 | 2.5° | 0.6° |
| C4 | N1 | C5 | H3 | 177.5° | 179.7° |
| C12 | N6 | C10 | N3 | 84.5° | 120.0° |
| C12 | N6 | C10 | C11 | 42.2° | 120.0° |
| C12 | N6 | C10 | H11 | 158.0° | 0.0° |
| N6 | C12 | C13 | H16 | 179.7° | 179.9° |
| N6 | C10 | N3 | C9 | 49.4° | 154.8° |
| N6 | C10 | N3 | C11 | 127.0° | 120.0° |
| N6 | C10 | N3 | H11 | 117.3° | 120.0° |
| N6 | C10 | C11 | H11 | 116.1° | 120.0° |
| N6 | C10 | N3 | N4 | 132.3° | 25.0° |
| N6 | C10 | C11 | H12 | 180.0° | 180.0° |
| N6 | C10 | C11 | H13 | 60.0° | 60.0° |
| N6 | C10 | C11 | H14 | 60.0° | 60.0° |
| C10 | N6 | C12 | H15 | 1.0° | 0.0° |
| C8 | C9 | N3 | H10 | 180.0° | 179.9° |
| C9 | C8 | C1 | N5 | 177.2° | 179.9° |
| C9 | C8 | C1 | C5 | 176.4° | 4.9° |
| C8 | C9 | N3 | C10 | 179.3° | 179.7° |
| C8 | C9 | N3 | N4 | 0.9° | 0.0° |
| C9 | C8 | N5 | N4 | 0.5° | 0.1° |
| N3 | C9 | C8 | C1 | 178.3° | 180.0° |
| C9 | N3 | C10 | N4 | 178.3° | 179.7° |
| C9 | N3 | C10 | C11 | 176.4° | 85.3° |
| N3 | C9 | C8 | N5 | 0.8° | 0.1° |
| C9 | N3 | N4 | N5 | 0.6° | 0.0° |
| C9 | N3 | C10 | H11 | 67.9° | 34.8° |
| C8 | C1 | C5 | N1 | 179.7° | 179.8° |
| C1 | C8 | N5 | N4 | 178.2° | 180.0° |
| C8 | C1 | C2 | H1 | 0.8° | 0.1° |
| C8 | C1 | C5 | H3 | 0.3° | 0.0° |
| C1 | C8 | C9 | H10 | 1.7° | 0.1° |
| C1 | C5 | N1 | H3 | 180.0° | 179.7° |
| C5 | C1 | C8 | N5 | 6.4° | 175.0° |
| C5 | C1 | C2 | H1 | 177.2° | 179.7° |
| C5 | N1 | C4 | H2 | 179.9° | 179.7° |
| N3 | C10 | C11 | H11 | 116.2° | 120.1° |
| C10 | N3 | N4 | N5 | 179.1° | 179.8° |
| C10 | N3 | C9 | H10 | 0.7° | 0.2° |
| N3 | C10 | C11 | H12 | 52.3° | 60.1° |
| N3 | C10 | C11 | H13 | 172.4° | 180.0° |
| N3 | C10 | C11 | H14 | 67.7° | 60.0° |
| C11 | C10 | N3 | N4 | 5.3° | 95.0° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C8 | N5 | N4 | N3 | 0.0° | 0.0° |
| N5 | C8 | C9 | H10 | 179.2° | 180.0° |
| N4 | N3 | C9 | H10 | 179.2° | 179.9° |
| N4 | N3 | C10 | H11 | 110.4° | 144.9° |
| H4 | C6 | H5 | H6 | 120.0° | 120.0° |
| H7 | C7 | H8 | H9 | 120.0° | 120.0° |
| H11 | C10 | C11 | H12 | 63.9° | 60.0° |
| H11 | C10 | C11 | H13 | 56.2° | 60.0° |
| H11 | C10 | C11 | H14 | 176.1° | 179.9° |
| H12 | C11 | H13 | H14 | 120.0° | 120.0° |
| H15 | C12 | C13 | H16 | 0.3° | 0.0° |
| H18 | C17 | C18 | H20 | 178.4° | 54.4° |
| H18 | C17 | C18 | H21 | 61.9° | 65.6° |
| H19 | C17 | C18 | H20 | 61.2° | 174.9° |
| H19 | C17 | C18 | H21 | 58.6° | 54.8° |
| H20 | C18 | C19 | H22 | 53.0° | 61.4° |
| H20 | C18 | C19 | H23 | 172.6° | 178.6° |
| H21 | C18 | C19 | H22 | 66.7° | 58.6° |
| H21 | C18 | C19 | H23 | 52.8° | 61.3° |
| H22 | C19 | C20 | H24 | 51.3° | 61.4° |
| H23 | C19 | C20 | H24 | 170.8° | 178.6° |
| H24 | C20 | C21 | H25 | 175.8° | 175.2° |
| H24 | C20 | C21 | H26 | 55.6° | 54.6° |
| H24 | C20 | N8 | H27 | 176.1° | 159.0° |
| H27 | N8 | C22 | H29 | 171.4° | 176.1° |
| H27 | N8 | C22 | H30 | 50.7° | 63.9° |
| H29 | C22 | C23 | H31 | 161.8° | 149.4° |
| H30 | C22 | C23 | H31 | 77.5° | 90.6° |
| H31 | C23 | C24 | H32 | 144.6° | 145.0° |
| H31 | C23 | C24 | H33 | 3.5° | 0.1° |
| H31 | C23 | C25 | H34 | 3.6° | 0.0° |
| H31 | C23 | C25 | H35 | 144.6° | 145.0° |
| H32 | C24 | C25 | H34 | 141.1° | 145.0° |
| H32 | C24 | C25 | H35 | 0.1° | 0.1° |
| H33 | C24 | C25 | H34 | 0.1° | 0.0° |
| H33 | C24 | C25 | H35 | 141.1° | 145.0° |
