A1JQY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | N1 | sing | 1.47Å | 1.45Å | |
| C9 | N2 | sing | 1.37Å | 1.34Å | |
| C9 | O1 | doub | 1.21Å | 1.24Å | |
| N2 | C10 | sing | 1.48Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| C14 | C15 | sing | 1.54Å | 1.52Å | |
| C15 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C16 | sing | 1.34Å | 1.33Å | |
| C13 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | O2 | doub | 1.21Å | 1.24Å | |
| C11 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | O3 | doub | 1.21Å | 1.22Å | |
| C17 | N4 | sing | 1.37Å | 1.34Å | |
| C11 | O4 | sing | 1.43Å | 1.42Å | |
| C2 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| N4 | C23 | sing | 1.48Å | 1.46Å | |
| N1 | C24 | sing | 1.35Å | 1.35Å | |
| C24 | N5 | sing | 1.35Å | 1.37Å | |
| C24 | O5 | doub | 1.22Å | 1.25Å | |
| N5 | C25 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | F1 | sing | 1.40Å | 1.33Å | |
| C26 | F2 | sing | 1.40Å | 1.34Å | |
| C26 | F3 | sing | 1.40Å | 1.34Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 118.5° | 120.0° |
| C2 | C1 | C6 | 122.1° | 120.0° |
| C1 | C2 | C18 | 121.1° | 119.9° |
| C2 | C1 | H1 | 118.9° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C3 | C2 | C18 | 120.3° | 120.0° |
| C2 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C4 | C3 | H2 | 119.7° | 120.0° |
| C4 | C5 | C6 | 121.4° | 120.0° |
| C5 | C4 | H3 | 120.0° | 120.0° |
| C4 | C5 | H4 | 119.3° | 120.0° |
| C5 | C6 | C1 | 117.3° | 120.0° |
| C5 | C6 | C7 | 121.1° | 120.0° |
| C6 | C5 | H4 | 119.3° | 120.1° |
| C1 | C6 | C7 | 121.6° | 119.9° |
| C6 | C1 | H1 | 119.0° | 120.0° |
| C6 | C7 | C8 | 114.3° | 109.5° |
| C6 | C7 | H5 | 108.3° | 109.4° |
| C6 | C7 | H6 | 108.3° | 109.5° |
| C7 | C8 | C9 | 114.2° | 109.4° |
| C7 | C8 | N1 | 111.9° | 109.5° |
| C8 | C7 | H5 | 108.3° | 109.5° |
| C8 | C7 | H6 | 108.2° | 109.5° |
| C7 | C8 | H7 | 105.8° | 109.5° |
| C9 | C8 | N1 | 111.4° | 109.5° |
| C8 | C9 | N2 | 110.8° | 118.6° |
| C8 | C9 | O1 | 126.5° | 120.7° |
| C9 | C8 | H7 | 106.1° | 109.4° |
| C8 | N1 | C24 | 124.1° | 120.0° |
| C8 | N1 | H8 | 118.0° | 119.9° |
| N1 | C8 | H7 | 106.8° | 109.5° |
| N2 | C9 | O1 | 122.7° | 120.7° |
| C9 | N2 | C10 | 122.4° | 114.6° |
| C9 | N2 | H9 | 118.8° | 122.7° |
| N2 | C10 | C11 | 104.7° | 108.5° |
| N2 | C10 | C12 | 114.3° | 109.6° |
| N2 | C10 | H10 | 107.8° | 109.7° |
| C10 | N2 | H9 | 118.8° | 122.7° |
| C11 | C10 | C12 | 116.0° | 109.6° |
| C10 | C11 | C17 | 111.4° | 109.5° |
| C10 | C11 | O4 | 109.8° | 109.5° |
| C11 | C10 | H10 | 106.8° | 109.6° |
| C10 | C11 | H11 | 108.4° | 109.5° |
| C10 | C12 | C13 | 115.7° | 109.5° |
| C12 | C10 | H10 | 106.8° | 109.8° |
| C10 | C12 | H12 | 107.9° | 109.5° |
| C10 | C12 | H13 | 107.9° | 109.5° |
| C12 | C13 | C14 | 117.5° | 110.5° |
| C12 | C13 | C16 | 111.8° | 110.5° |
| C12 | C13 | H14 | 107.6° | 110.5° |
| C13 | C12 | H12 | 107.9° | 109.5° |
| C13 | C12 | H13 | 107.9° | 109.4° |
| C13 | C14 | C15 | 105.2° | 101.8° |
| C14 | C13 | C16 | 104.3° | 104.2° |
| C14 | C13 | H14 | 107.6° | 110.5° |
| C13 | C14 | H15 | 110.5° | 110.9° |
| C13 | C14 | H16 | 110.5° | 111.0° |
| C14 | C15 | N3 | 103.8° | 105.5° |
| C14 | C15 | H17 | 110.9° | 110.2° |
| C14 | C15 | H18 | 110.9° | 110.3° |
| C15 | C14 | H15 | 110.6° | 111.0° |
| C15 | C14 | H16 | 110.5° | 111.0° |
| C15 | N3 | C16 | 114.1° | 111.3° |
| C15 | N3 | H19 | 122.9° | 124.4° |
| N3 | C15 | H17 | 110.9° | 110.3° |
| N3 | C15 | H18 | 110.9° | 110.3° |
| N3 | C16 | C13 | 108.9° | 110.1° |
| N3 | C16 | O2 | 125.9° | 124.9° |
| C16 | N3 | H19 | 122.9° | 124.3° |
| C13 | C16 | O2 | 125.2° | 125.0° |
| C16 | C13 | H14 | 107.7° | 110.5° |
| C11 | C17 | O3 | 117.9° | 120.8° |
| C11 | C17 | N4 | 117.3° | 118.5° |
| C17 | C11 | O4 | 108.8° | 109.4° |
| C17 | C11 | H11 | 108.6° | 109.4° |
| O3 | C17 | N4 | 124.7° | 120.7° |
| C17 | N4 | C23 | 123.5° | 114.7° |
| C17 | N4 | H20 | 118.3° | 122.7° |
| O4 | C11 | H11 | 109.8° | 109.5° |
| C11 | O4 | H21 | 109.5° | 114.0° |
| C2 | C18 | C19 | 114.0° | 109.4° |
| C2 | C18 | H22 | 108.3° | 109.4° |
| C2 | C18 | H23 | 108.3° | 109.5° |
| C18 | C19 | C20 | 117.0° | 109.5° |
| C19 | C18 | H22 | 108.3° | 109.5° |
| C19 | C18 | H23 | 108.3° | 109.5° |
| C18 | C19 | H24 | 107.5° | 109.5° |
| C18 | C19 | H25 | 107.6° | 109.5° |
| C19 | C20 | C21 | 109.1° | 109.4° |
| C19 | C20 | H26 | 109.6° | 109.5° |
| C19 | C20 | H27 | 109.6° | 109.4° |
| C20 | C19 | H24 | 107.6° | 109.5° |
| C20 | C19 | H25 | 107.5° | 109.5° |
| C20 | C21 | C22 | 116.0° | 109.5° |
| C21 | C20 | H26 | 109.5° | 109.5° |
| C21 | C20 | H27 | 109.6° | 109.5° |
| C20 | C21 | H28 | 107.8° | 109.5° |
| C20 | C21 | H29 | 107.8° | 109.5° |
| C21 | C22 | C23 | 114.0° | 109.5° |
| C22 | C21 | H28 | 107.8° | 109.5° |
| C22 | C21 | H29 | 107.8° | 109.5° |
| C21 | C22 | H30 | 108.3° | 109.5° |
| C21 | C22 | H31 | 108.3° | 109.4° |
| C22 | C23 | N4 | 114.3° | 108.5° |
| C23 | C22 | H30 | 108.3° | 109.5° |
| C23 | C22 | H31 | 108.3° | 109.5° |
| C22 | C23 | H32 | 108.2° | 109.6° |
| C22 | C23 | H33 | 108.3° | 109.7° |
| C23 | N4 | H20 | 118.2° | 122.7° |
| N4 | C23 | H32 | 108.3° | 109.7° |
| N4 | C23 | H33 | 108.3° | 109.6° |
| N1 | C24 | N5 | 112.8° | 120.0° |
| N1 | C24 | O5 | 120.8° | 120.0° |
| C24 | N1 | H8 | 117.9° | 120.1° |
| N5 | C24 | O5 | 126.4° | 120.0° |
| C24 | N5 | C25 | 127.8° | 120.0° |
| C24 | N5 | H34 | 116.1° | 120.0° |
| N5 | C25 | C26 | 111.3° | 109.5° |
| C25 | N5 | H34 | 116.1° | 120.0° |
| N5 | C25 | H35 | 109.0° | 109.5° |
| N5 | C25 | H36 | 109.0° | 109.5° |
| C25 | C26 | F1 | 111.3° | 109.5° |
| C25 | C26 | F2 | 113.8° | 109.5° |
| C25 | C26 | F3 | 111.4° | 109.5° |
| C26 | C25 | H35 | 109.0° | 109.5° |
| C26 | C25 | H36 | 109.0° | 109.5° |
| F1 | C26 | F2 | 106.0° | 109.5° |
| F1 | C26 | F3 | 106.6° | 109.5° |
| F2 | C26 | F3 | 107.3° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.4° | 110.2° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 110.9° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.5° | 109.8° |
| H35 | C25 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C18 | 178.6° | 179.7° |
| C1 | C2 | C3 | C4 | 2.1° | 0.5° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C7 | 179.2° | 180.0° |
| C1 | C2 | C18 | C19 | 69.1° | 9.0° |
| C1 | C2 | C3 | H2 | 177.9° | 180.0° |
| C1 | C2 | C18 | H22 | 51.6° | 128.9° |
| C1 | C2 | C18 | H23 | 170.2° | 111.1° |
| C2 | C3 | C4 | H2 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 1.5° | 0.5° |
| C3 | C2 | C1 | C6 | 1.2° | 0.2° |
| C3 | C2 | C18 | C19 | 109.5° | 170.7° |
| C2 | C3 | C4 | H3 | 178.5° | 179.7° |
| C3 | C2 | C1 | H1 | 178.8° | 180.0° |
| C3 | C2 | C18 | H22 | 129.8° | 50.8° |
| C3 | C2 | C18 | H23 | 11.2° | 69.2° |
| C3 | C4 | C5 | H3 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | C3 | C2 | C18 | 179.3° | 179.8° |
| C3 | C4 | C5 | H4 | 179.9° | 179.8° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 1.0° | 0.0° |
| C4 | C5 | C6 | C7 | 178.6° | 180.0° |
| C5 | C4 | C3 | H2 | 178.5° | 179.9° |
| C5 | C6 | C1 | C7 | 179.5° | 180.0° |
| C5 | C6 | C7 | C8 | 42.1° | 127.5° |
| C6 | C5 | C4 | H3 | 179.9° | 179.9° |
| C5 | C6 | C7 | H5 | 78.6° | 7.5° |
| C5 | C6 | C7 | H6 | 162.8° | 112.5° |
| C5 | C6 | C1 | H1 | 179.7° | 179.7° |
| C1 | C6 | C7 | C8 | 137.4° | 52.5° |
| C6 | C1 | C2 | C18 | 179.8° | 179.9° |
| C1 | C6 | C5 | H4 | 179.0° | 179.9° |
| C1 | C6 | C7 | H5 | 101.9° | 172.5° |
| C1 | C6 | C7 | H6 | 16.7° | 67.6° |
| C6 | C7 | C8 | H5 | 120.7° | 120.0° |
| C6 | C7 | C8 | H6 | 120.7° | 120.0° |
| C6 | C7 | C8 | C9 | 51.2° | 112.6° |
| C6 | C7 | C8 | N1 | 76.5° | 7.4° |
| C7 | C6 | C5 | H4 | 1.4° | 0.0° |
| C6 | C7 | H5 | H6 | 117.8° | 120.0° |
| C6 | C7 | C8 | H7 | 167.5° | 127.4° |
| C7 | C6 | C1 | H1 | 0.8° | 0.2° |
| C7 | C8 | C9 | N1 | 128.0° | 120.0° |
| C7 | C8 | C9 | H7 | 116.1° | 120.0° |
| C7 | C8 | N1 | H7 | 115.3° | 120.1° |
| C7 | C8 | C9 | N2 | 89.2° | 166.7° |
| C7 | C8 | C9 | O1 | 92.8° | 13.2° |
| C7 | C8 | N1 | C24 | 166.0° | 86.2° |
| C7 | C8 | N1 | H8 | 14.0° | 94.1° |
| C8 | C7 | H5 | H6 | 117.8° | 120.0° |
| C9 | C8 | N1 | H7 | 115.4° | 120.0° |
| C8 | C9 | N2 | O1 | 178.2° | 180.0° |
| C8 | C9 | N2 | C10 | 164.6° | 179.9° |
| C9 | C8 | N1 | C24 | 64.7° | 153.9° |
| C9 | C8 | N1 | H8 | 115.2° | 25.9° |
| C9 | C8 | C7 | H5 | 171.9° | 127.4° |
| C9 | C8 | C7 | H6 | 69.5° | 7.4° |
| C8 | C9 | N2 | H9 | 15.3° | 0.1° |
| N1 | C8 | C9 | N2 | 142.8° | 73.3° |
| N1 | C8 | C9 | O1 | 35.3° | 106.8° |
| C8 | N1 | C24 | H8 | 180.0° | 179.8° |
| C8 | N1 | C24 | N5 | 166.0° | 179.7° |
| C8 | N1 | C24 | O5 | 13.5° | 0.2° |
| N1 | C8 | C7 | H5 | 44.2° | 112.6° |
| N1 | C8 | C7 | H6 | 162.8° | 127.4° |
| C9 | N2 | C10 | H9 | 180.0° | 180.0° |
| C9 | N2 | C10 | C11 | 117.1° | 121.9° |
| C9 | N2 | C10 | C12 | 114.9° | 2.2° |
| N2 | C9 | C8 | H7 | 26.9° | 46.7° |
| C9 | N2 | C10 | H10 | 3.6° | 118.4° |
| O1 | C9 | N2 | C10 | 17.2° | 0.1° |
| O1 | C9 | C8 | H7 | 151.2° | 133.2° |
| O1 | C9 | N2 | H9 | 162.8° | 179.9° |
| N2 | C10 | C11 | C12 | 126.9° | 119.7° |
| N2 | C10 | C11 | H10 | 114.2° | 119.8° |
| N2 | C10 | C12 | H10 | 119.1° | 120.5° |
| N2 | C10 | C12 | C13 | 59.8° | 173.0° |
| N2 | C10 | C11 | C17 | 156.3° | 94.1° |
| N2 | C10 | C11 | O4 | 35.6° | 145.8° |
| N2 | C10 | C11 | H11 | 84.3° | 25.8° |
| N2 | C10 | C12 | H12 | 61.1° | 67.0° |
| N2 | C10 | C12 | H13 | 179.3° | 53.0° |
| C11 | C10 | C12 | H10 | 118.9° | 120.4° |
| C11 | C10 | C12 | C13 | 178.3° | 53.9° |
| C10 | C11 | C17 | O4 | 121.2° | 120.0° |
| C10 | C11 | C17 | H11 | 119.3° | 120.0° |
| C10 | C11 | C17 | O3 | 72.1° | 14.5° |
| C10 | C11 | C17 | N4 | 106.3° | 165.4° |
| C10 | C11 | O4 | H11 | 119.1° | 120.0° |
| C11 | C10 | N2 | H9 | 62.9° | 58.1° |
| C11 | C10 | C12 | H12 | 60.8° | 174.0° |
| C11 | C10 | C12 | H13 | 57.4° | 66.0° |
| C10 | C11 | O4 | H21 | 180.0° | 180.0° |
| C10 | C12 | C13 | H12 | 120.9° | 120.0° |
| C10 | C12 | C13 | H13 | 120.9° | 120.0° |
| C10 | C12 | C13 | C14 | 65.3° | 173.2° |
| C10 | C12 | C13 | C16 | 174.2° | 72.0° |
| C12 | C10 | C11 | C17 | 76.8° | 25.6° |
| C12 | C10 | C11 | O4 | 162.5° | 94.5° |
| C10 | C12 | C13 | H14 | 56.2° | 50.6° |
| C12 | C10 | N2 | H9 | 65.1° | 177.8° |
| C12 | C10 | C11 | H11 | 42.6° | 145.5° |
| C10 | C12 | H12 | H13 | 117.2° | 120.0° |
| C12 | C13 | C14 | C16 | 124.4° | 118.7° |
| C12 | C13 | C14 | H14 | 121.4° | 122.6° |
| C12 | C13 | C14 | C15 | 140.7° | 143.5° |
| C12 | C13 | C16 | N3 | 135.1° | 134.9° |
| C12 | C13 | C16 | H14 | 117.9° | 122.6° |
| C12 | C13 | C16 | O2 | 47.1° | 44.7° |
| C13 | C12 | C10 | H10 | 59.3° | 66.5° |
| C13 | C12 | H12 | H13 | 117.2° | 120.0° |
| C12 | C13 | C14 | H15 | 21.3° | 25.3° |
| C12 | C13 | C14 | H16 | 100.0° | 98.4° |
| C13 | C14 | C15 | H15 | 119.3° | 118.1° |
| C13 | C14 | C15 | H16 | 119.3° | 118.1° |
| C13 | C14 | C15 | N3 | 19.1° | 25.4° |
| C14 | C13 | C16 | N3 | 7.2° | 16.2° |
| C14 | C13 | C16 | H14 | 114.1° | 118.7° |
| C14 | C13 | C16 | O2 | 175.0° | 163.4° |
| C13 | C14 | C15 | H17 | 138.2° | 93.6° |
| C13 | C14 | C15 | H18 | 100.0° | 144.5° |
| C14 | C13 | C12 | H12 | 173.8° | 66.8° |
| C14 | C13 | C12 | H13 | 55.6° | 53.2° |
| C13 | C14 | H15 | H16 | 122.0° | 123.8° |
| C14 | C15 | N3 | H17 | 119.1° | 119.0° |
| C14 | C15 | N3 | H18 | 119.1° | 119.1° |
| C14 | C15 | N3 | C16 | 16.0° | 17.0° |
| C15 | C14 | C13 | C16 | 16.3° | 24.8° |
| C14 | C15 | N3 | H19 | 164.0° | 162.7° |
| C15 | C14 | C13 | H14 | 97.9° | 93.9° |
| C14 | C15 | H17 | H18 | 122.6° | 122.0° |
| C15 | C14 | H15 | H16 | 122.0° | 123.8° |
| C15 | N3 | C16 | H19 | 180.0° | 179.7° |
| C15 | N3 | C16 | C13 | 5.6° | 0.4° |
| C15 | N3 | C16 | O2 | 172.2° | 179.9° |
| N3 | C15 | H17 | H18 | 122.6° | 121.9° |
| N3 | C15 | C14 | H15 | 100.2° | 92.7° |
| N3 | C15 | C14 | H16 | 138.4° | 143.5° |
| N3 | C16 | C13 | O2 | 177.8° | 179.6° |
| N3 | C16 | C13 | H14 | 106.9° | 102.5° |
| C16 | N3 | C15 | H17 | 135.1° | 102.0° |
| C16 | N3 | C15 | H18 | 103.1° | 136.1° |
| C13 | C16 | N3 | H19 | 174.4° | 179.3° |
| C16 | C13 | C12 | H12 | 53.3° | 48.0° |
| C16 | C13 | C12 | H13 | 65.0° | 168.0° |
| C16 | C13 | C14 | H15 | 103.1° | 93.3° |
| C16 | C13 | C14 | H16 | 135.6° | 142.9° |
| O2 | C16 | N3 | H19 | 7.8° | 0.3° |
| O2 | C16 | C13 | H14 | 70.8° | 77.9° |
| C11 | C17 | O3 | N4 | 178.2° | 180.0° |
| C17 | C11 | O4 | H11 | 118.7° | 119.9° |
| C11 | C17 | N4 | C23 | 177.4° | 179.9° |
| C17 | C11 | C10 | H10 | 42.1° | 146.1° |
| C11 | C17 | N4 | H20 | 2.6° | 0.1° |
| C17 | C11 | O4 | H21 | 57.8° | 60.0° |
| O3 | C17 | C11 | O4 | 166.8° | 105.5° |
| O3 | C17 | N4 | C23 | 4.3° | 0.1° |
| O3 | C17 | C11 | H11 | 47.2° | 134.5° |
| O3 | C17 | N4 | H20 | 175.7° | 179.9° |
| N4 | C17 | C11 | O4 | 14.9° | 74.5° |
| C17 | N4 | C23 | C22 | 147.6° | 102.4° |
| C17 | N4 | C23 | H20 | 180.0° | 180.0° |
| N4 | C17 | C11 | H11 | 134.4° | 45.4° |
| C17 | N4 | C23 | H32 | 91.7° | 17.3° |
| C17 | N4 | C23 | H33 | 26.9° | 137.9° |
| O4 | C11 | C10 | H10 | 78.5° | 26.1° |
| C2 | C18 | C19 | H22 | 120.7° | 119.9° |
| C2 | C18 | C19 | H23 | 120.7° | 120.0° |
| C2 | C18 | C19 | C20 | 54.9° | 149.1° |
| C18 | C2 | C1 | H1 | 0.2° | 0.3° |
| C18 | C2 | C3 | H2 | 0.7° | 0.3° |
| C2 | C18 | H22 | H23 | 117.9° | 120.0° |
| C2 | C18 | C19 | H24 | 66.2° | 90.9° |
| C2 | C18 | C19 | H25 | 176.0° | 29.1° |
| C18 | C19 | C20 | H24 | 121.1° | 120.1° |
| C18 | C19 | C20 | H25 | 121.1° | 120.0° |
| C18 | C19 | C20 | C21 | 165.6° | 167.6° |
| C18 | C19 | C20 | H26 | 45.6° | 72.4° |
| C18 | C19 | C20 | H27 | 74.5° | 47.6° |
| C19 | C18 | H22 | H23 | 117.9° | 120.1° |
| C18 | C19 | H24 | H25 | 116.6° | 120.0° |
| C19 | C20 | C21 | H26 | 119.9° | 120.0° |
| C19 | C20 | C21 | H27 | 119.9° | 119.9° |
| C19 | C20 | C21 | C22 | 148.2° | 114.6° |
| C19 | C20 | H26 | H27 | 120.2° | 120.0° |
| C19 | C20 | C21 | H28 | 27.3° | 5.5° |
| C19 | C20 | C21 | H29 | 90.9° | 125.4° |
| C20 | C19 | C18 | H22 | 175.6° | 91.0° |
| C20 | C19 | C18 | H23 | 65.8° | 29.1° |
| C20 | C19 | H24 | H25 | 116.6° | 120.0° |
| C20 | C21 | C22 | H28 | 120.9° | 120.0° |
| C20 | C21 | C22 | H29 | 120.9° | 120.0° |
| C20 | C21 | C22 | C23 | 95.5° | 150.7° |
| C21 | C20 | H26 | H27 | 120.2° | 120.1° |
| C20 | C21 | H28 | H29 | 117.0° | 120.0° |
| C20 | C21 | C22 | H30 | 143.8° | 89.3° |
| C20 | C21 | C22 | H31 | 25.2° | 30.7° |
| C21 | C20 | C19 | H24 | 73.4° | 47.5° |
| C21 | C20 | C19 | H25 | 44.5° | 72.4° |
| C21 | C22 | C23 | H30 | 120.7° | 120.1° |
| C21 | C22 | C23 | H31 | 120.7° | 120.0° |
| C21 | C22 | C23 | N4 | 63.8° | 130.7° |
| C22 | C21 | C20 | H26 | 91.9° | 5.4° |
| C22 | C21 | C20 | H27 | 28.2° | 125.5° |
| C22 | C21 | H28 | H29 | 117.1° | 120.0° |
| C21 | C22 | H30 | H31 | 117.9° | 119.9° |
| C21 | C22 | C23 | H32 | 56.9° | 11.0° |
| C21 | C22 | C23 | H33 | 175.5° | 109.6° |
| C22 | C23 | N4 | H32 | 120.7° | 119.7° |
| C22 | C23 | N4 | H33 | 120.7° | 119.7° |
| C23 | C22 | C21 | H28 | 25.4° | 30.7° |
| C23 | C22 | C21 | H29 | 143.6° | 89.3° |
| C23 | C22 | H30 | H31 | 117.9° | 120.0° |
| C22 | C23 | N4 | H20 | 32.4° | 77.6° |
| C22 | C23 | H32 | H33 | 117.8° | 120.5° |
| N4 | C23 | C22 | H30 | 175.6° | 109.2° |
| N4 | C23 | C22 | H31 | 56.9° | 10.7° |
| N4 | C23 | H32 | H33 | 117.8° | 120.5° |
| N1 | C24 | N5 | O5 | 179.5° | 180.0° |
| N1 | C24 | N5 | C25 | 179.2° | 180.0° |
| C24 | N1 | C8 | H7 | 50.7° | 33.9° |
| N1 | C24 | N5 | H34 | 0.8° | 0.1° |
| C24 | N5 | C25 | H34 | 180.0° | 180.0° |
| C24 | N5 | C25 | C26 | 114.9° | 180.0° |
| N5 | C24 | N1 | H8 | 14.0° | 0.0° |
| C24 | N5 | C25 | H35 | 5.4° | 60.0° |
| C24 | N5 | C25 | H36 | 124.8° | 60.0° |
| O5 | C24 | N5 | C25 | 1.3° | 0.0° |
| O5 | C24 | N1 | H8 | 166.5° | 180.0° |
| O5 | C24 | N5 | H34 | 178.6° | 180.0° |
| N5 | C25 | C26 | H35 | 120.3° | 120.0° |
| N5 | C25 | C26 | H36 | 120.3° | 120.0° |
| N5 | C25 | C26 | F1 | 60.4° | 60.0° |
| N5 | C25 | C26 | F2 | 59.3° | 180.0° |
| N5 | C25 | C26 | F3 | 179.2° | 60.0° |
| N5 | C25 | H35 | H36 | 119.2° | 120.0° |
| C25 | C26 | F1 | F2 | 124.3° | 120.0° |
| C25 | C26 | F1 | F3 | 121.7° | 120.0° |
| C25 | C26 | F2 | F3 | 123.7° | 120.0° |
| C26 | C25 | N5 | H34 | 65.1° | 0.0° |
| C26 | C25 | H35 | H36 | 119.1° | 120.0° |
| F1 | C26 | F2 | F3 | 113.6° | 120.0° |
| F1 | C26 | C25 | H35 | 59.9° | 180.0° |
| F1 | C26 | C25 | H36 | 179.4° | 60.0° |
| F2 | C26 | C25 | H35 | 179.6° | 60.0° |
| F2 | C26 | C25 | H36 | 60.9° | 60.0° |
| F3 | C26 | C25 | H35 | 58.9° | 60.0° |
| F3 | C26 | C25 | H36 | 60.5° | 180.0° |
| H8 | N1 | C8 | H7 | 129.3° | 145.9° |
| H19 | N3 | C15 | H17 | 44.9° | 78.3° |
| H19 | N3 | C15 | H18 | 76.9° | 43.6° |
| H3 | C4 | C5 | H4 | 0.1° | 0.0° |
| H3 | C4 | C3 | H2 | 1.4° | 0.1° |
| H5 | C7 | C8 | H7 | 71.8° | 7.4° |
| H6 | C7 | C8 | H7 | 46.8° | 112.5° |
| H10 | C10 | N2 | H9 | 176.3° | 61.6° |
| H10 | C10 | C11 | H11 | 161.5° | 93.9° |
| H10 | C10 | C12 | H12 | 179.8° | 53.6° |
| H10 | C10 | C12 | H13 | 61.6° | 173.5° |
| H14 | C13 | C12 | H12 | 64.7° | 170.6° |
| H14 | C13 | C12 | H13 | 177.1° | 69.4° |
| H14 | C13 | C14 | H15 | 142.8° | 148.0° |
| H14 | C13 | C14 | H16 | 21.4° | 24.2° |
| H17 | C15 | C14 | H15 | 18.9° | 148.3° |
| H17 | C15 | C14 | H16 | 102.5° | 24.5° |
| H18 | C15 | C14 | H15 | 140.7° | 26.4° |
| H18 | C15 | C14 | H16 | 19.3° | 97.4° |
| H26 | C20 | C21 | H28 | 147.2° | 125.4° |
| H26 | C20 | C21 | H29 | 29.1° | 114.6° |
| H26 | C20 | C19 | H24 | 166.7° | 167.5° |
| H26 | C20 | C19 | H25 | 75.4° | 47.6° |
| H27 | C20 | C21 | H28 | 92.7° | 114.5° |
| H27 | C20 | C21 | H29 | 149.2° | 5.5° |
| H27 | C20 | C19 | H24 | 46.6° | 72.4° |
| H27 | C20 | C19 | H25 | 164.4° | 167.6° |
| H28 | C21 | C22 | H30 | 95.2° | 150.7° |
| H28 | C21 | C22 | H31 | 146.1° | 89.4° |
| H29 | C21 | C22 | H30 | 22.9° | 30.7° |
| H29 | C21 | C22 | H31 | 95.8° | 150.7° |
| H30 | C22 | C23 | H32 | 63.7° | 131.0° |
| H30 | C22 | C23 | H33 | 54.9° | 10.5° |
| H31 | C22 | C23 | H32 | 177.6° | 109.0° |
| H31 | C22 | C23 | H33 | 63.8° | 130.4° |
| H11 | C11 | O4 | H21 | 60.9° | 60.0° |
| H20 | N4 | C23 | H32 | 88.3° | 162.7° |
| H20 | N4 | C23 | H33 | 153.1° | 42.1° |
| H22 | C18 | C19 | H24 | 54.5° | 29.1° |
| H22 | C18 | C19 | H25 | 63.4° | 149.0° |
| H23 | C18 | C19 | H24 | 173.1° | 149.1° |
| H23 | C18 | C19 | H25 | 55.3° | 90.9° |
| H34 | N5 | C25 | H35 | 174.7° | 120.0° |
| H34 | N5 | C25 | H36 | 55.2° | 120.0° |
