A1CQ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.46Å | |
| N4 | C14 | doub | 1.31Å | 1.33Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.47Å | 1.44Å | Aromatic |
| N5 | C21 | sing | 1.47Å | 1.48Å | |
| N5 | C11 | sing | 1.37Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.57Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C13 | C9 | doub | 1.40Å | 1.46Å | Aromatic |
| C23 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| N3 | C10 | doub | 1.31Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.44Å | Aromatic |
| C9 | C1 | sing | 1.48Å | 1.52Å | |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.45Å | |
| C25 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.55Å | 1.50Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.55Å | 1.51Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C13 | CL1 | sing | 1.74Å | 1.80Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 119.8° | 120.1° |
| C17 | C18 | C19 | 119.3° | 120.3° |
| C18 | C17 | H17 | 120.1° | 120.0° |
| C17 | C18 | H18 | 120.3° | 119.8° |
| C17 | C16 | C15 | 120.9° | 119.9° |
| C17 | C16 | H16 | 119.5° | 120.1° |
| C16 | C17 | H17 | 120.1° | 119.9° |
| C18 | C19 | C20 | 120.2° | 120.1° |
| C19 | C18 | H18 | 120.3° | 119.9° |
| C18 | C19 | H19 | 119.9° | 119.9° |
| C16 | C15 | C20 | 118.0° | 119.7° |
| C16 | C15 | C14 | 118.9° | 120.1° |
| C15 | C16 | H16 | 119.5° | 120.1° |
| C19 | C20 | C15 | 121.0° | 119.9° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | H20 | 119.5° | 120.1° |
| C20 | C15 | C14 | 121.8° | 120.1° |
| C15 | C20 | H20 | 119.5° | 120.0° |
| C15 | C14 | N4 | 115.6° | 126.3° |
| C15 | C14 | C12 | 134.2° | 126.3° |
| C14 | N4 | N5 | 107.7° | 109.9° |
| N4 | C14 | C12 | 109.8° | 107.4° |
| N4 | N5 | C21 | 121.0° | 125.2° |
| N4 | N5 | C11 | 110.4° | 109.5° |
| C14 | C12 | C11 | 103.8° | 106.5° |
| C14 | C12 | C13 | 137.8° | 134.0° |
| C21 | N5 | C11 | 127.2° | 125.2° |
| N5 | C21 | C22 | 115.0° | 109.4° |
| N5 | C21 | H21 | 108.1° | 109.5° |
| N5 | C21 | H22 | 108.1° | 109.5° |
| N5 | C11 | C12 | 107.8° | 106.7° |
| N5 | C11 | N3 | 126.1° | 133.1° |
| C21 | C22 | C23 | 114.7° | 109.5° |
| C22 | C21 | H21 | 108.1° | 109.5° |
| C22 | C21 | H22 | 108.1° | 109.4° |
| C21 | C22 | H23 | 108.1° | 109.5° |
| C21 | C22 | H24 | 108.1° | 109.5° |
| C22 | C23 | C28 | 119.3° | 120.0° |
| C22 | C23 | C24 | 121.4° | 120.0° |
| C23 | C22 | H23 | 108.2° | 109.5° |
| C23 | C22 | H24 | 108.1° | 109.4° |
| C11 | C12 | C13 | 118.4° | 119.5° |
| C12 | C11 | N3 | 126.1° | 120.2° |
| C12 | C13 | C9 | 115.8° | 118.0° |
| C12 | C13 | CL1 | 120.6° | 121.0° |
| C11 | N3 | C10 | 115.8° | 121.9° |
| C13 | C9 | C10 | 118.8° | 119.1° |
| C13 | C9 | C1 | 123.7° | 120.5° |
| C9 | C13 | CL1 | 122.9° | 121.0° |
| C28 | C23 | C24 | 119.3° | 120.0° |
| C23 | C28 | C27 | 119.9° | 120.0° |
| C23 | C28 | H29 | 120.0° | 120.0° |
| C23 | C24 | C25 | 121.4° | 120.0° |
| C23 | C24 | H25 | 119.3° | 120.0° |
| N3 | C10 | C9 | 124.4° | 121.4° |
| N3 | C10 | H14 | 117.8° | 119.3° |
| C10 | C9 | C1 | 117.3° | 120.5° |
| C9 | C10 | H14 | 117.8° | 119.3° |
| C9 | C1 | O1 | 123.1° | 120.0° |
| C9 | C1 | N1 | 118.8° | 120.0° |
| C28 | C27 | C26 | 120.4° | 120.0° |
| C28 | C27 | H28 | 119.8° | 120.0° |
| C27 | C28 | H29 | 120.0° | 120.0° |
| O1 | C1 | N1 | 117.7° | 120.0° |
| C1 | N1 | C2 | 121.2° | 120.0° |
| C1 | N1 | H1 | 119.4° | 120.0° |
| C24 | C25 | C26 | 118.9° | 120.0° |
| C25 | C24 | H25 | 119.3° | 120.0° |
| C24 | C25 | H26 | 120.6° | 120.0° |
| C27 | C26 | C25 | 119.9° | 120.0° |
| C27 | C26 | H27 | 120.0° | 120.0° |
| C26 | C27 | H28 | 119.8° | 120.0° |
| N1 | C2 | C3 | 103.3° | 109.5° |
| C2 | N1 | H1 | 119.4° | 120.0° |
| N1 | C2 | H2 | 111.0° | 109.5° |
| N1 | C2 | H3 | 111.0° | 109.5° |
| C2 | C3 | C4 | 99.0° | 109.5° |
| C3 | C2 | H2 | 111.0° | 109.4° |
| C3 | C2 | H3 | 111.0° | 109.5° |
| C2 | C3 | H4 | 112.0° | 109.5° |
| C2 | C3 | H5 | 112.0° | 109.5° |
| C26 | C25 | H26 | 120.5° | 120.0° |
| C25 | C26 | H27 | 120.0° | 120.0° |
| C3 | C4 | O2 | 119.0° | 120.0° |
| C3 | C4 | N2 | 121.3° | 120.0° |
| C4 | C3 | H4 | 112.0° | 109.5° |
| C4 | C3 | H5 | 112.0° | 109.5° |
| C7 | C8 | N2 | 105.6° | 104.7° |
| C8 | C7 | C6 | 101.7° | 101.5° |
| C8 | C7 | H11 | 111.4° | 111.2° |
| C8 | C7 | H10 | 111.4° | 110.9° |
| C7 | C8 | H12 | 110.5° | 110.4° |
| C7 | C8 | H13 | 110.4° | 110.4° |
| C8 | N2 | C4 | 125.9° | 125.7° |
| C8 | N2 | C5 | 110.0° | 108.7° |
| N2 | C8 | H12 | 110.4° | 110.7° |
| N2 | C8 | H13 | 110.5° | 110.1° |
| C7 | C6 | C5 | 105.3° | 103.0° |
| C7 | C6 | H9 | 110.5° | 110.7° |
| C7 | C6 | H8 | 110.5° | 110.8° |
| C6 | C7 | H11 | 111.4° | 111.0° |
| C6 | C7 | H10 | 111.4° | 111.0° |
| O2 | C4 | N2 | 119.6° | 120.0° |
| C4 | N2 | C5 | 124.0° | 125.7° |
| N2 | C5 | C6 | 103.7° | 107.3° |
| N2 | C5 | H6 | 110.9° | 109.8° |
| N2 | C5 | H7 | 110.9° | 109.9° |
| C6 | C5 | H6 | 110.9° | 109.9° |
| C6 | C5 | H7 | 110.9° | 109.9° |
| C5 | C6 | H9 | 110.5° | 110.8° |
| C5 | C6 | H8 | 110.5° | 110.7° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 110.0° |
| H9 | C6 | H8 | 109.5° | 110.7° |
| H11 | C7 | H10 | 109.5° | 110.9° |
| H12 | C8 | H13 | 109.5° | 110.4° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.8° | 0.0° |
| C17 | C18 | C19 | C20 | 9.3° | 0.0° |
| C18 | C17 | C16 | H16 | 179.2° | 180.0° |
| C17 | C18 | C19 | H19 | 170.7° | 179.9° |
| C16 | C17 | C18 | C19 | 8.0° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 5.0° | 0.0° |
| C17 | C16 | C15 | C14 | 172.4° | 179.7° |
| C16 | C17 | C18 | H18 | 172.0° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 3.4° | 0.0° |
| C19 | C18 | C17 | H17 | 172.0° | 180.0° |
| C18 | C19 | C20 | H20 | 176.6° | 179.7° |
| C16 | C15 | C20 | C19 | 3.7° | 0.0° |
| C16 | C15 | C20 | C14 | 167.0° | 179.7° |
| C16 | C15 | C14 | N4 | 48.7° | 134.7° |
| C16 | C15 | C14 | C12 | 122.8° | 45.3° |
| C15 | C16 | C17 | H17 | 179.2° | 180.0° |
| C16 | C15 | C20 | H20 | 176.3° | 179.7° |
| C19 | C20 | C15 | H20 | 180.0° | 179.7° |
| C19 | C20 | C15 | C14 | 170.7° | 179.7° |
| C20 | C19 | C18 | H18 | 170.7° | 180.0° |
| C20 | C15 | C14 | N4 | 118.2° | 45.1° |
| C20 | C15 | C14 | C12 | 70.3° | 134.9° |
| C20 | C15 | C16 | H16 | 175.0° | 180.0° |
| C15 | C20 | C19 | H19 | 176.6° | 179.9° |
| C15 | C14 | N4 | C12 | 173.6° | 180.0° |
| C15 | C14 | N4 | N5 | 179.4° | 180.0° |
| C15 | C14 | C12 | C11 | 176.4° | 180.0° |
| C15 | C14 | C12 | C13 | 4.3° | 0.3° |
| C14 | C15 | C16 | H16 | 7.6° | 0.3° |
| C14 | C15 | C20 | H20 | 9.3° | 0.0° |
| C14 | N4 | N5 | C21 | 174.5° | 180.0° |
| C14 | N4 | N5 | C11 | 7.0° | 0.0° |
| N4 | C14 | C12 | C11 | 4.5° | 0.0° |
| N4 | C14 | C12 | C13 | 176.2° | 179.7° |
| N5 | N4 | C14 | C12 | 7.0° | 0.0° |
| N4 | N5 | C21 | C11 | 165.3° | 180.0° |
| N4 | N5 | C21 | C22 | 66.6° | 90.0° |
| N4 | N5 | C11 | C12 | 4.1° | 0.0° |
| N4 | N5 | C11 | N3 | 175.3° | 179.9° |
| N4 | N5 | C21 | H21 | 172.6° | 150.0° |
| N4 | N5 | C21 | H22 | 54.2° | 30.0° |
| C14 | C12 | C11 | N5 | 0.1° | 0.0° |
| C14 | C12 | C11 | C13 | 179.5° | 179.8° |
| C14 | C12 | C11 | N3 | 179.6° | 179.9° |
| C14 | C12 | C13 | C9 | 173.6° | 179.8° |
| C14 | C12 | C13 | CL1 | 3.6° | 0.3° |
| N5 | C21 | C22 | H21 | 120.8° | 120.0° |
| N5 | C21 | C22 | H22 | 120.8° | 119.9° |
| N5 | C21 | C22 | C23 | 88.3° | 180.0° |
| C21 | N5 | C11 | C12 | 170.7° | 180.0° |
| C21 | N5 | C11 | N3 | 8.8° | 0.1° |
| N5 | C21 | H21 | H22 | 117.5° | 120.0° |
| N5 | C21 | C22 | H23 | 150.9° | 60.0° |
| N5 | C21 | C22 | H24 | 32.4° | 60.0° |
| C11 | N5 | C21 | C22 | 128.2° | 90.1° |
| N5 | C11 | C12 | N3 | 179.5° | 179.9° |
| N5 | C11 | C12 | C13 | 179.6° | 179.8° |
| N5 | C11 | N3 | C10 | 177.2° | 179.9° |
| C11 | N5 | C21 | H21 | 7.4° | 29.9° |
| C11 | N5 | C21 | H22 | 111.0° | 150.0° |
| C21 | C22 | C23 | H23 | 120.8° | 120.0° |
| C21 | C22 | C23 | H24 | 120.8° | 120.0° |
| C21 | C22 | C23 | C28 | 131.9° | 90.0° |
| C21 | C22 | C23 | C24 | 49.6° | 89.7° |
| C22 | C21 | H21 | H22 | 117.5° | 120.0° |
| C21 | C22 | H23 | H24 | 117.6° | 120.0° |
| C22 | C23 | C28 | C24 | 178.5° | 179.7° |
| C22 | C23 | C28 | C27 | 175.5° | 179.8° |
| C22 | C23 | C24 | C25 | 178.4° | 180.0° |
| C23 | C22 | C21 | H21 | 32.5° | 60.0° |
| C23 | C22 | C21 | H22 | 150.9° | 60.1° |
| C23 | C22 | H23 | H24 | 117.6° | 120.0° |
| C22 | C23 | C24 | H25 | 1.6° | 0.0° |
| C22 | C23 | C28 | H29 | 4.5° | 0.0° |
| C11 | C12 | C13 | C9 | 7.1° | 0.5° |
| C12 | C11 | N3 | C10 | 2.1° | 0.0° |
| C11 | C12 | C13 | CL1 | 177.2° | 180.0° |
| C13 | C12 | C11 | N3 | 0.9° | 0.3° |
| C12 | C13 | C9 | CL1 | 169.8° | 179.5° |
| C12 | C13 | C9 | C10 | 10.5° | 0.5° |
| C12 | C13 | C9 | C1 | 174.5° | 179.7° |
| C11 | N3 | C10 | C9 | 1.6° | 0.0° |
| C11 | N3 | C10 | H14 | 178.4° | 180.0° |
| C13 | C9 | C10 | N3 | 8.1° | 0.3° |
| C13 | C9 | C10 | C1 | 175.4° | 179.8° |
| C13 | C9 | C1 | O1 | 107.2° | 0.2° |
| C13 | C9 | C1 | N1 | 65.6° | 179.5° |
| C13 | C9 | C10 | H14 | 171.8° | 179.8° |
| C23 | C28 | C27 | H29 | 180.0° | 179.7° |
| C28 | C23 | C24 | C25 | 0.1° | 0.3° |
| C23 | C28 | C27 | C26 | 3.5° | 0.5° |
| C28 | C23 | C22 | H23 | 11.2° | 30.0° |
| C28 | C23 | C22 | H24 | 107.3° | 150.0° |
| C28 | C23 | C24 | H25 | 179.9° | 179.8° |
| C23 | C28 | C27 | H28 | 176.5° | 179.7° |
| C24 | C23 | C28 | C27 | 3.0° | 0.5° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 2.2° | 0.0° |
| C24 | C23 | C22 | H23 | 170.4° | 150.3° |
| C24 | C23 | C22 | H24 | 71.2° | 30.3° |
| C23 | C24 | C25 | H26 | 177.8° | 180.0° |
| C24 | C23 | C28 | H29 | 177.0° | 179.7° |
| N3 | C10 | C9 | H14 | 180.0° | 180.0° |
| N3 | C10 | C9 | C1 | 176.5° | 180.0° |
| C10 | C9 | C1 | O1 | 77.7° | 180.0° |
| C10 | C9 | C1 | N1 | 109.5° | 0.3° |
| C10 | C9 | C13 | CL1 | 179.8° | 180.0° |
| C9 | C1 | O1 | N1 | 172.9° | 179.7° |
| C9 | C1 | N1 | C2 | 158.5° | 179.7° |
| C9 | C1 | N1 | H1 | 21.5° | 0.3° |
| C1 | C9 | C10 | H14 | 3.5° | 0.0° |
| C1 | C9 | C13 | CL1 | 4.7° | 0.2° |
| C28 | C27 | C26 | H28 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 1.2° | 0.2° |
| C28 | C27 | C26 | H27 | 178.9° | 179.8° |
| O1 | C1 | N1 | C2 | 14.7° | 0.0° |
| O1 | C1 | N1 | H1 | 165.3° | 179.9° |
| C1 | N1 | C2 | H1 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 117.5° | 180.0° |
| C1 | N1 | C2 | H2 | 123.5° | 60.0° |
| C1 | N1 | C2 | H3 | 1.5° | 60.0° |
| C24 | C25 | C26 | C27 | 1.7° | 0.0° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C24 | C25 | C26 | H27 | 178.3° | 180.0° |
| C27 | C26 | C25 | H27 | 180.0° | 180.0° |
| C27 | C26 | C25 | H26 | 178.3° | 180.0° |
| C26 | C27 | C28 | H29 | 176.5° | 179.8° |
| N1 | C2 | C3 | H2 | 119.0° | 120.0° |
| N1 | C2 | C3 | H3 | 119.0° | 120.0° |
| N1 | C2 | C3 | C4 | 89.3° | 180.0° |
| N1 | C2 | H2 | H3 | 122.9° | 120.0° |
| N1 | C2 | C3 | H4 | 152.5° | 60.0° |
| N1 | C2 | C3 | H5 | 29.0° | 60.0° |
| C2 | C3 | C4 | H4 | 118.3° | 120.0° |
| C2 | C3 | C4 | H5 | 118.3° | 120.0° |
| C2 | C3 | C4 | O2 | 89.8° | 0.0° |
| C2 | C3 | C4 | N2 | 88.4° | 179.9° |
| C3 | C2 | N1 | H1 | 62.5° | 0.1° |
| C3 | C2 | H2 | H3 | 122.8° | 120.0° |
| C2 | C3 | H4 | H5 | 124.9° | 120.0° |
| C26 | C25 | C24 | H25 | 177.8° | 180.0° |
| C25 | C26 | C27 | H28 | 178.8° | 180.0° |
| C3 | C4 | N2 | C8 | 6.7° | 0.2° |
| C3 | C4 | O2 | N2 | 178.2° | 179.9° |
| C3 | C4 | N2 | C5 | 172.1° | 180.0° |
| C4 | C3 | C2 | H2 | 29.8° | 60.0° |
| C4 | C3 | C2 | H3 | 151.7° | 60.0° |
| C4 | C3 | H4 | H5 | 124.9° | 120.0° |
| C7 | C8 | N2 | H12 | 119.4° | 119.0° |
| C7 | C8 | N2 | H13 | 119.4° | 118.7° |
| C8 | C7 | C6 | H11 | 118.8° | 118.2° |
| C8 | C7 | C6 | H10 | 118.7° | 117.9° |
| C7 | C8 | N2 | C4 | 163.3° | 155.7° |
| C7 | C8 | N2 | C5 | 17.7° | 24.5° |
| C8 | C7 | C6 | C5 | 36.7° | 35.6° |
| C8 | C7 | C6 | H9 | 156.1° | 154.1° |
| C8 | C7 | C6 | H8 | 82.6° | 82.8° |
| C8 | C7 | H11 | H10 | 123.6° | 123.9° |
| C7 | C8 | H12 | H13 | 121.8° | 122.3° |
| N2 | C8 | C7 | C6 | 33.2° | 37.3° |
| C8 | N2 | C4 | O2 | 171.5° | 179.6° |
| C8 | N2 | C4 | C5 | 178.8° | 179.8° |
| C8 | N2 | C5 | C6 | 5.4° | 1.3° |
| C8 | N2 | C5 | H6 | 124.5° | 120.7° |
| C8 | N2 | C5 | H7 | 113.7° | 118.1° |
| N2 | C8 | C7 | H11 | 85.6° | 80.8° |
| N2 | C8 | C7 | H10 | 151.9° | 155.3° |
| N2 | C8 | H12 | H13 | 121.8° | 122.2° |
| C7 | C6 | C5 | N2 | 26.4° | 22.2° |
| C7 | C6 | C5 | H9 | 119.3° | 118.4° |
| C7 | C6 | C5 | H8 | 119.4° | 118.5° |
| C7 | C6 | C5 | H6 | 145.5° | 97.2° |
| C7 | C6 | C5 | H7 | 92.6° | 141.6° |
| C7 | C6 | H9 | H8 | 121.9° | 123.2° |
| C6 | C7 | H11 | H10 | 123.6° | 123.9° |
| C6 | C7 | C8 | H12 | 86.2° | 81.9° |
| C6 | C7 | C8 | H13 | 152.6° | 155.8° |
| O2 | C4 | N2 | C5 | 9.7° | 0.1° |
| O2 | C4 | C3 | H4 | 152.0° | 120.0° |
| O2 | C4 | C3 | H5 | 28.5° | 120.1° |
| C4 | N2 | C5 | C6 | 173.5° | 178.9° |
| N2 | C4 | C3 | H4 | 29.9° | 59.9° |
| N2 | C4 | C3 | H5 | 153.3° | 60.0° |
| C4 | N2 | C5 | H6 | 54.5° | 59.5° |
| C4 | N2 | C5 | H7 | 67.4° | 61.6° |
| C4 | N2 | C8 | H12 | 77.3° | 85.3° |
| C4 | N2 | C8 | H13 | 44.0° | 37.1° |
| N2 | C5 | C6 | H6 | 119.0° | 119.4° |
| N2 | C5 | C6 | H7 | 119.1° | 119.5° |
| N2 | C5 | H6 | H7 | 122.7° | 121.1° |
| N2 | C5 | C6 | H9 | 145.7° | 140.5° |
| N2 | C5 | C6 | H8 | 92.9° | 96.3° |
| C5 | N2 | C8 | H12 | 101.7° | 94.5° |
| C5 | N2 | C8 | H13 | 137.1° | 143.1° |
| C6 | C5 | H6 | H7 | 122.7° | 121.1° |
| C5 | C6 | H9 | H8 | 121.9° | 123.2° |
| C5 | C6 | C7 | H11 | 82.0° | 82.6° |
| C5 | C6 | C7 | H10 | 155.5° | 153.6° |
| H1 | N1 | C2 | H2 | 56.5° | 120.0° |
| H1 | N1 | C2 | H3 | 178.5° | 120.0° |
| H2 | C2 | C3 | H4 | 88.5° | 180.0° |
| H2 | C2 | C3 | H5 | 148.0° | 60.1° |
| H3 | C2 | C3 | H4 | 33.5° | 60.0° |
| H3 | C2 | C3 | H5 | 90.0° | 180.0° |
| H6 | C5 | C6 | H9 | 95.2° | 21.1° |
| H6 | C5 | C6 | H8 | 26.1° | 144.3° |
| H7 | C5 | C6 | H9 | 26.7° | 100.0° |
| H7 | C5 | C6 | H8 | 148.0° | 23.1° |
| H9 | C6 | C7 | H11 | 37.3° | 35.8° |
| H9 | C6 | C7 | H10 | 85.2° | 88.0° |
| H8 | C6 | C7 | H11 | 158.7° | 159.0° |
| H8 | C6 | C7 | H10 | 36.1° | 35.1° |
| H11 | C7 | C8 | H12 | 155.0° | 160.1° |
| H11 | C7 | C8 | H13 | 33.8° | 37.7° |
| H10 | C7 | C8 | H12 | 32.5° | 36.1° |
| H10 | C7 | C8 | H13 | 88.7° | 86.2° |
| H16 | C16 | C17 | H17 | 0.9° | 0.0° |
| H17 | C17 | C18 | H18 | 8.0° | 0.1° |
| H18 | C18 | C19 | H19 | 9.3° | 0.1° |
| H19 | C19 | C20 | H20 | 3.4° | 0.2° |
| H21 | C21 | C22 | H23 | 88.3° | NaN° |
| H21 | C21 | C22 | H24 | 153.3° | 60.0° |
| H22 | C21 | C22 | H23 | 30.1° | 59.9° |
| H22 | C21 | C22 | H24 | 88.3° | 180.0° |
| H25 | C24 | C25 | H26 | 2.2° | 0.0° |
| H26 | C25 | C26 | H27 | 1.7° | 0.0° |
| H27 | C26 | C27 | H28 | 1.1° | 0.1° |
| H28 | C27 | C28 | H29 | 3.5° | 0.1° |
