A1J83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C25 | sing | 1.39Å | 1.34Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C26 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C4 | sing | 1.51Å | 1.51Å | |
| O1 | C4 | sing | 1.43Å | 1.42Å | |
| O1 | C3 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| N2 | C12 | sing | 1.35Å | 1.34Å | |
| N2 | C11 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| O2 | C12 | doub | 1.22Å | 1.23Å | |
| C12 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | N3 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| N3 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.42Å | 1.42Å | Aromatic |
| C21 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | C19 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C25 | C24 | 121.5° | 119.7° |
| N4 | C25 | N5 | 117.5° | 119.7° |
| C25 | N4 | H11 | 109.5° | 119.9° |
| C25 | N4 | H12 | 109.5° | 120.0° |
| C24 | C25 | N5 | 121.0° | 120.6° |
| C25 | C24 | C23 | 118.9° | 119.1° |
| C25 | C24 | H33 | 120.6° | 120.5° |
| C25 | N5 | C26 | 118.9° | 121.6° |
| C24 | C23 | C22 | 120.3° | 118.5° |
| C24 | C23 | H32 | 119.9° | 120.7° |
| C23 | C24 | H33 | 120.5° | 120.4° |
| N5 | C26 | C22 | 123.7° | 120.8° |
| N5 | C26 | H34 | 118.2° | 119.6° |
| C23 | C22 | C26 | 117.2° | 119.3° |
| C23 | C22 | C4 | 120.7° | 120.3° |
| C22 | C23 | H32 | 119.9° | 120.8° |
| C26 | C22 | C4 | 122.1° | 120.3° |
| C22 | C26 | H34 | 118.2° | 119.6° |
| C22 | C4 | O1 | 107.4° | 109.6° |
| C22 | C4 | C5 | 114.7° | 109.5° |
| C22 | C4 | H1 | 107.4° | 109.5° |
| C4 | O1 | C3 | 110.1° | 113.8° |
| O1 | C4 | C5 | 111.4° | 109.2° |
| O1 | C4 | H1 | 108.5° | 109.5° |
| O1 | C3 | C2 | 109.4° | 109.2° |
| O1 | C3 | H2 | 109.5° | 109.5° |
| O1 | C3 | H3 | 109.5° | 109.5° |
| C4 | C5 | N1 | 117.7° | 109.3° |
| C5 | C4 | H1 | 107.3° | 109.5° |
| C4 | C5 | H13 | 107.4° | 109.5° |
| C4 | C5 | H14 | 107.4° | 109.5° |
| C1 | C2 | N1 | 111.5° | 109.6° |
| C1 | C2 | C3 | 109.8° | 109.5° |
| C1 | C2 | H4 | 107.5° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.4° | 109.4° |
| C5 | N1 | C2 | 117.8° | 110.7° |
| C5 | N1 | C6 | 109.4° | 111.0° |
| N1 | C5 | H13 | 107.4° | 109.5° |
| N1 | C5 | H14 | 107.4° | 109.5° |
| C2 | N1 | C6 | 114.1° | 111.0° |
| N1 | C2 | C3 | 112.3° | 109.3° |
| N1 | C2 | H4 | 108.0° | 109.5° |
| N1 | C6 | C7 | 119.5° | 109.5° |
| N1 | C6 | H15 | 106.9° | 109.4° |
| N1 | C6 | H16 | 106.9° | 109.5° |
| C2 | C3 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C3 | C2 | H4 | 107.5° | 109.5° |
| C6 | C7 | C9 | 116.3° | 117.5° |
| C6 | C7 | C8 | 120.6° | 117.5° |
| C7 | C6 | H15 | 106.9° | 109.5° |
| C7 | C6 | H16 | 106.9° | 109.5° |
| C6 | C7 | H17 | 116.1° | 115.5° |
| C9 | C7 | C8 | 59.7° | 60.0° |
| C7 | C9 | C8 | 60.1° | 60.0° |
| C7 | C9 | C10 | 124.1° | 117.4° |
| C9 | C7 | H17 | 116.1° | 117.5° |
| C7 | C9 | H20 | 114.0° | 117.5° |
| C7 | C8 | C9 | 60.2° | 60.0° |
| C8 | C7 | H17 | 116.2° | 117.5° |
| C7 | C8 | H18 | 120.0° | 117.4° |
| C7 | C8 | H19 | 119.9° | 117.5° |
| C8 | C9 | C10 | 120.1° | 117.5° |
| C9 | C8 | H18 | 120.0° | 117.5° |
| C9 | C8 | H19 | 120.0° | 117.5° |
| C8 | C9 | H20 | 114.1° | 117.5° |
| C9 | C10 | C11 | 113.6° | 109.4° |
| C10 | C9 | H20 | 114.0° | 115.6° |
| C9 | C10 | H21 | 108.5° | 109.5° |
| C9 | C10 | H22 | 108.4° | 109.5° |
| C12 | N2 | C11 | 124.5° | 120.0° |
| N2 | C12 | O2 | 121.7° | 120.0° |
| N2 | C12 | C13 | 117.6° | 120.0° |
| C12 | N2 | H9 | 117.7° | 120.0° |
| N2 | C11 | C10 | 112.4° | 109.4° |
| C11 | N2 | H9 | 117.7° | 120.0° |
| N2 | C11 | H23 | 108.7° | 109.5° |
| N2 | C11 | H24 | 108.8° | 109.5° |
| C11 | C10 | H21 | 108.4° | 109.5° |
| C11 | C10 | H22 | 108.4° | 109.5° |
| C10 | C11 | H23 | 108.7° | 109.4° |
| C10 | C11 | H24 | 108.7° | 109.4° |
| O2 | C12 | C13 | 120.7° | 120.0° |
| C12 | C13 | N3 | 118.5° | 125.4° |
| C12 | C13 | C14 | 132.2° | 125.4° |
| N3 | C13 | C14 | 109.3° | 109.1° |
| C13 | N3 | C21 | 109.0° | 108.7° |
| C13 | N3 | H10 | 125.5° | 125.7° |
| C13 | C14 | C15 | 107.3° | 107.7° |
| C13 | C14 | H25 | 126.3° | 126.2° |
| N3 | C21 | C15 | 107.7° | 107.4° |
| N3 | C21 | C20 | 130.2° | 133.1° |
| C21 | N3 | H10 | 125.5° | 125.6° |
| C14 | C15 | C21 | 106.7° | 107.0° |
| C14 | C15 | C16 | 134.1° | 133.3° |
| C15 | C14 | H25 | 126.4° | 126.1° |
| C15 | C21 | C20 | 122.1° | 119.5° |
| C21 | C15 | C16 | 119.2° | 119.7° |
| C21 | C20 | C18 | 117.1° | 119.8° |
| C21 | C20 | H31 | 121.4° | 120.1° |
| C15 | C16 | C17 | 119.1° | 119.9° |
| C15 | C16 | H26 | 120.4° | 120.0° |
| C20 | C18 | C17 | 121.5° | 120.5° |
| C20 | C18 | O3 | 122.5° | 119.8° |
| C18 | C20 | H31 | 121.5° | 120.1° |
| C16 | C17 | C18 | 121.0° | 120.6° |
| C17 | C16 | H26 | 120.5° | 120.1° |
| C16 | C17 | H27 | 119.5° | 119.7° |
| C17 | C18 | O3 | 116.0° | 119.7° |
| C18 | C17 | H27 | 119.5° | 119.7° |
| C18 | O3 | C19 | 117.1° | 117.0° |
| O3 | C19 | H28 | 109.5° | 109.4° |
| O3 | C19 | H29 | 109.5° | 109.5° |
| O3 | C19 | H30 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H11 | N4 | H12 | 109.4° | 120.1° |
| H13 | C5 | H14 | 109.5° | 109.5° |
| H15 | C6 | H16 | 109.5° | 109.4° |
| H18 | C8 | H19 | 109.5° | 115.6° |
| H21 | C10 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H30 | 109.5° | 109.4° |
| H29 | C19 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C25 | C24 | N5 | 179.9° | 179.9° |
| N4 | C25 | C24 | C23 | 180.0° | 180.0° |
| N4 | C25 | N5 | C26 | 179.9° | 180.0° |
| C25 | N4 | H11 | H12 | 120.0° | 180.0° |
| N4 | C25 | C24 | H33 | 0.0° | 0.1° |
| C25 | C24 | C23 | H33 | 180.0° | 180.0° |
| C24 | C25 | N5 | C26 | 0.2° | 0.1° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | N4 | H11 | 179.9° | 0.1° |
| C24 | C25 | N4 | H12 | 59.9° | 180.0° |
| C25 | C24 | C23 | H32 | 179.9° | 179.9° |
| N5 | C25 | C24 | C23 | 0.1° | 0.0° |
| C25 | N5 | C26 | C22 | 0.1° | 0.0° |
| N5 | C25 | N4 | H11 | 0.0° | 180.0° |
| N5 | C25 | N4 | H12 | 120.0° | 0.0° |
| N5 | C25 | C24 | H33 | 179.9° | 180.0° |
| C25 | N5 | C26 | H34 | 179.9° | 179.9° |
| C24 | C23 | C22 | H32 | 180.0° | 179.9° |
| C24 | C23 | C22 | C26 | 0.2° | 0.0° |
| C24 | C23 | C22 | C4 | 179.8° | 180.0° |
| N5 | C26 | C22 | C23 | 0.1° | 0.0° |
| N5 | C26 | C22 | H34 | 180.0° | 179.9° |
| N5 | C26 | C22 | C4 | 179.7° | 180.0° |
| C23 | C22 | C26 | C4 | 179.7° | 180.0° |
| C23 | C22 | C4 | O1 | 26.9° | 140.2° |
| C23 | C22 | C4 | C5 | 151.3° | 100.0° |
| C23 | C22 | C4 | H1 | 89.6° | 20.1° |
| C22 | C23 | C24 | H33 | 179.9° | 180.0° |
| C23 | C22 | C26 | H34 | 180.0° | 179.9° |
| C26 | C22 | C4 | O1 | 153.4° | 39.8° |
| C26 | C22 | C4 | C5 | 29.1° | 80.0° |
| C26 | C22 | C4 | H1 | 90.0° | 159.9° |
| C26 | C22 | C23 | H32 | 179.8° | 180.0° |
| C22 | C4 | O1 | C5 | 126.3° | 119.9° |
| C22 | C4 | O1 | H1 | 115.8° | 120.1° |
| C22 | C4 | O1 | C3 | 178.4° | 178.6° |
| C22 | C4 | C5 | H1 | 119.2° | 120.1° |
| C22 | C4 | C5 | N1 | 124.1° | 176.8° |
| C22 | C4 | C5 | H13 | 114.7° | 63.3° |
| C22 | C4 | C5 | H14 | 3.0° | 56.9° |
| C4 | C22 | C23 | H32 | 0.1° | 0.0° |
| C4 | C22 | C26 | H34 | 0.3° | 0.1° |
| O1 | C4 | C5 | H1 | 118.6° | 119.9° |
| O1 | C4 | C5 | N1 | 1.9° | 56.9° |
| C4 | O1 | C3 | C2 | 73.8° | 58.7° |
| C4 | O1 | C3 | H2 | 166.2° | 61.2° |
| C4 | O1 | C3 | H3 | 46.2° | 178.6° |
| O1 | C4 | C5 | H13 | 123.1° | 176.8° |
| O1 | C4 | C5 | H14 | 119.3° | 63.1° |
| C3 | O1 | C4 | C5 | 52.1° | 58.7° |
| O1 | C3 | C2 | C1 | 84.1° | 63.2° |
| O1 | C3 | C2 | N1 | 40.6° | 56.9° |
| O1 | C3 | C2 | H2 | 120.0° | 119.9° |
| O1 | C3 | C2 | H3 | 120.0° | 120.0° |
| C3 | O1 | C4 | H1 | 65.8° | 61.2° |
| O1 | C3 | H2 | H3 | 120.0° | 120.1° |
| O1 | C3 | C2 | H4 | 159.3° | 176.8° |
| C4 | C5 | N1 | H13 | 121.2° | 119.9° |
| C4 | C5 | N1 | H14 | 121.2° | 120.0° |
| C4 | C5 | N1 | C2 | 28.1° | 58.6° |
| C4 | C5 | N1 | C6 | 160.5° | 65.1° |
| C4 | C5 | H13 | H14 | 116.3° | 120.1° |
| C1 | C2 | N1 | C5 | 131.7° | 61.4° |
| C1 | C2 | N1 | C3 | 123.7° | 120.0° |
| C1 | C2 | N1 | H4 | 117.8° | 120.1° |
| C1 | C2 | N1 | C6 | 98.0° | 174.9° |
| C1 | C2 | C3 | H4 | 116.6° | 120.1° |
| C1 | C2 | C3 | H2 | 35.9° | 176.9° |
| C1 | C2 | C3 | H3 | 155.9° | 56.8° |
| C2 | C1 | H5 | H6 | 120.0° | 120.1° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 119.9° | 120.0° |
| C5 | N1 | C2 | C6 | 130.3° | 123.7° |
| C5 | N1 | C2 | C3 | 8.0° | 58.6° |
| C5 | N1 | C6 | C7 | 127.3° | 66.4° |
| N1 | C5 | C4 | H1 | 116.7° | 63.1° |
| C5 | N1 | C2 | H4 | 110.4° | 178.5° |
| N1 | C5 | H13 | H14 | 116.3° | 120.1° |
| C5 | N1 | C6 | H15 | 5.9° | 173.6° |
| C5 | N1 | C6 | H16 | 111.3° | 53.6° |
| N1 | C2 | C3 | H4 | 118.7° | 119.9° |
| C2 | N1 | C6 | C7 | 7.1° | 170.0° |
| N1 | C2 | C3 | H2 | 160.6° | 63.0° |
| N1 | C2 | C3 | H3 | 79.4° | 176.8° |
| N1 | C2 | C1 | H5 | 180.0° | 179.8° |
| N1 | C2 | C1 | H6 | 60.0° | 60.1° |
| N1 | C2 | C1 | H7 | 60.0° | 59.8° |
| C2 | N1 | C5 | H13 | 93.1° | 178.6° |
| C2 | N1 | C5 | H14 | 149.2° | 61.4° |
| C2 | N1 | C6 | H15 | 128.5° | 50.0° |
| C2 | N1 | C6 | H16 | 114.4° | 69.9° |
| C6 | N1 | C2 | C3 | 138.3° | 65.1° |
| N1 | C6 | C7 | H15 | 121.4° | 120.0° |
| N1 | C6 | C7 | H16 | 121.4° | 120.1° |
| N1 | C6 | C7 | C9 | 156.4° | 175.0° |
| N1 | C6 | C7 | C8 | 87.6° | 116.4° |
| C6 | N1 | C2 | H4 | 19.9° | 54.8° |
| C6 | N1 | C5 | H13 | 39.3° | 54.8° |
| C6 | N1 | C5 | H14 | 78.4° | 174.9° |
| N1 | C6 | H15 | H16 | 115.4° | 120.0° |
| N1 | C6 | C7 | H17 | 61.6° | 29.4° |
| C2 | C3 | H2 | H3 | 120.0° | 120.1° |
| C3 | C2 | C1 | H5 | 54.9° | 59.9° |
| C3 | C2 | C1 | H6 | 174.9° | 180.0° |
| C3 | C2 | C1 | H7 | 65.2° | 60.1° |
| C6 | C7 | C9 | C8 | 111.6° | 107.5° |
| C6 | C7 | C9 | H17 | 142.0° | 145.0° |
| C6 | C7 | C8 | H17 | 149.1° | 145.0° |
| C6 | C7 | C9 | C10 | 140.4° | 145.0° |
| C7 | C6 | H15 | H16 | 115.4° | 120.0° |
| C6 | C7 | C8 | H18 | 145.9° | 145.0° |
| C6 | C7 | C8 | H19 | 5.0° | 0.1° |
| C6 | C7 | C9 | H20 | 6.5° | 0.0° |
| C9 | C7 | C8 | H17 | 106.3° | 107.5° |
| C7 | C9 | C8 | C10 | 114.4° | 107.4° |
| C7 | C9 | C8 | H20 | 104.8° | 107.5° |
| C7 | C9 | C10 | H20 | 147.0° | 145.7° |
| C7 | C9 | C10 | C11 | 150.0° | 175.0° |
| C9 | C7 | C6 | H15 | 35.0° | 65.0° |
| C9 | C7 | C6 | H16 | 82.2° | 55.0° |
| C9 | C7 | C8 | H18 | 109.5° | 107.5° |
| C9 | C7 | C8 | H19 | 109.5° | 107.5° |
| C7 | C9 | C10 | H21 | 29.4° | 55.0° |
| C7 | C9 | C10 | H22 | 89.4° | 65.0° |
| C8 | C7 | C6 | H15 | 33.9° | 3.6° |
| C8 | C7 | C6 | H16 | 151.0° | 123.6° |
| C7 | C8 | H18 | H19 | 144.6° | 145.7° |
| C8 | C9 | C10 | H20 | 140.7° | 145.7° |
| C8 | C9 | C10 | C11 | 137.7° | 116.4° |
| C9 | C8 | H18 | H19 | 144.6° | 145.7° |
| C8 | C9 | C10 | H21 | 101.6° | 123.6° |
| C8 | C9 | C10 | H22 | 17.2° | 3.6° |
| C9 | C10 | C11 | N2 | 98.8° | 180.0° |
| C9 | C10 | C11 | H21 | 120.6° | 120.0° |
| C9 | C10 | C11 | H22 | 120.6° | 120.0° |
| C10 | C9 | C7 | H17 | 1.6° | 0.0° |
| C10 | C9 | C8 | H18 | 4.9° | 0.0° |
| C10 | C9 | C8 | H19 | 136.0° | 145.1° |
| C9 | C10 | H21 | H22 | 118.1° | 120.0° |
| C9 | C10 | C11 | H23 | 21.7° | 60.0° |
| C9 | C10 | C11 | H24 | 140.8° | 60.0° |
| C12 | N2 | C11 | H9 | 180.0° | 180.0° |
| C12 | N2 | C11 | C10 | 142.0° | 180.0° |
| N2 | C12 | O2 | C13 | 179.0° | 180.0° |
| N2 | C12 | C13 | N3 | 6.2° | 0.0° |
| N2 | C12 | C13 | C14 | 176.6° | 180.0° |
| C12 | N2 | C11 | H23 | 97.6° | 60.1° |
| C12 | N2 | C11 | H24 | 21.6° | 60.0° |
| N2 | C11 | C10 | H23 | 120.4° | 120.0° |
| N2 | C11 | C10 | H24 | 120.5° | 120.0° |
| C11 | N2 | C12 | O2 | 99.9° | 0.0° |
| C11 | N2 | C12 | C13 | 81.1° | 180.0° |
| N2 | C11 | C10 | H21 | 21.8° | 60.0° |
| N2 | C11 | C10 | H22 | 140.6° | 60.0° |
| N2 | C11 | H23 | H24 | 118.7° | 120.1° |
| C10 | C11 | N2 | H9 | 38.0° | 0.0° |
| C11 | C10 | C9 | H20 | 3.0° | 29.3° |
| C11 | C10 | H21 | H22 | 118.1° | 120.0° |
| C10 | C11 | H23 | H24 | 118.6° | 120.0° |
| O2 | C12 | C13 | N3 | 174.7° | 180.0° |
| O2 | C12 | C13 | C14 | 2.5° | 0.0° |
| O2 | C12 | N2 | H9 | 80.1° | 180.0° |
| C12 | C13 | N3 | C14 | 177.8° | 180.0° |
| C12 | C13 | N3 | C21 | 179.2° | 180.0° |
| C12 | C13 | C14 | C15 | 178.9° | 180.0° |
| C13 | C12 | N2 | H9 | 99.0° | 0.0° |
| C12 | C13 | N3 | H10 | 0.8° | 0.3° |
| C12 | C13 | C14 | H25 | 1.1° | 0.1° |
| C13 | N3 | C21 | H10 | 180.0° | 179.7° |
| N3 | C13 | C14 | C15 | 1.5° | 0.0° |
| C13 | N3 | C21 | C15 | 0.6° | 0.0° |
| C13 | N3 | C21 | C20 | 179.4° | 180.0° |
| N3 | C13 | C14 | H25 | 178.5° | 179.9° |
| C14 | C13 | N3 | C21 | 1.4° | 0.0° |
| C13 | C14 | C15 | H25 | 180.0° | 179.9° |
| C13 | C14 | C15 | C21 | 1.1° | 0.0° |
| C13 | C14 | C15 | C16 | 179.0° | 180.0° |
| C14 | C13 | N3 | H10 | 178.6° | 179.7° |
| N3 | C21 | C15 | C14 | 0.3° | 0.0° |
| N3 | C21 | C15 | C20 | 179.9° | 180.0° |
| N3 | C21 | C15 | C16 | 179.8° | 180.0° |
| N3 | C21 | C20 | C18 | 180.0° | 180.0° |
| N3 | C21 | C20 | H31 | 0.0° | 0.0° |
| C14 | C15 | C21 | C16 | 179.9° | 180.0° |
| C14 | C15 | C21 | C20 | 179.6° | 180.0° |
| C14 | C15 | C16 | C17 | 179.4° | 179.9° |
| C14 | C15 | C16 | H26 | 0.6° | 0.1° |
| C15 | C21 | C20 | C18 | 0.0° | 0.0° |
| C21 | C15 | C16 | C17 | 0.5° | 0.0° |
| C15 | C21 | N3 | H10 | 179.4° | 179.7° |
| C21 | C15 | C14 | H25 | 178.9° | 180.0° |
| C21 | C15 | C16 | H26 | 179.5° | 180.0° |
| C15 | C21 | C20 | H31 | 179.9° | 180.0° |
| C20 | C21 | C15 | C16 | 0.3° | 0.0° |
| C21 | C20 | C18 | H31 | 180.0° | 180.0° |
| C21 | C20 | C18 | C17 | 0.0° | 0.0° |
| C21 | C20 | C18 | O3 | 179.9° | 180.0° |
| C20 | C21 | N3 | H10 | 0.6° | 0.3° |
| C15 | C16 | C17 | H26 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.1° |
| C16 | C15 | C14 | H25 | 1.0° | 0.1° |
| C15 | C16 | C17 | H27 | 179.5° | 180.0° |
| C20 | C18 | C17 | C16 | 0.3° | 0.1° |
| C20 | C18 | C17 | O3 | 179.9° | 180.0° |
| C20 | C18 | O3 | C19 | 136.3° | 180.0° |
| C20 | C18 | C17 | H27 | 179.8° | 180.0° |
| C16 | C17 | C18 | H27 | 180.0° | 179.9° |
| C16 | C17 | C18 | O3 | 179.9° | 179.9° |
| C17 | C18 | O3 | C19 | 43.5° | 0.0° |
| C18 | C17 | C16 | H26 | 179.5° | 179.9° |
| C17 | C18 | C20 | H31 | 180.0° | 179.9° |
| O3 | C18 | C17 | H27 | 0.1° | 0.0° |
| C18 | O3 | C19 | H28 | 180.0° | 60.1° |
| C18 | O3 | C19 | H29 | 60.0° | 59.9° |
| C18 | O3 | C19 | H30 | 60.0° | 180.0° |
| O3 | C18 | C20 | H31 | 0.1° | 0.1° |
| O3 | C19 | H28 | H29 | 120.0° | 120.0° |
| O3 | C19 | H28 | H30 | 120.0° | 120.0° |
| O3 | C19 | H29 | H30 | 120.0° | 120.1° |
| H1 | C4 | C5 | H13 | 4.5° | 56.8° |
| H1 | C4 | C5 | H14 | 122.1° | 177.0° |
| H2 | C3 | C2 | H4 | 80.7° | 56.9° |
| H3 | C3 | C2 | H4 | 39.3° | 63.2° |
| H4 | C2 | C1 | H5 | 61.8° | 60.1° |
| H4 | C2 | C1 | H6 | 58.2° | 59.9° |
| H4 | C2 | C1 | H7 | 178.2° | 179.9° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
| H9 | N2 | C11 | H23 | 82.4° | 120.0° |
| H9 | N2 | C11 | H24 | 158.5° | 119.9° |
| H15 | C6 | C7 | H17 | 177.0° | 149.3° |
| H16 | C6 | C7 | H17 | 59.8° | 90.7° |
| H17 | C7 | C8 | H18 | 3.2° | 0.0° |
| H17 | C7 | C8 | H19 | 144.2° | 145.0° |
| H17 | C7 | C9 | H20 | 148.5° | 145.0° |
| H18 | C8 | C9 | H20 | 145.6° | 145.0° |
| H19 | C8 | C9 | H20 | 4.7° | 0.0° |
| H20 | C9 | C10 | H21 | 117.6° | 90.7° |
| H20 | C9 | C10 | H22 | 123.6° | 149.3° |
| H21 | C10 | C11 | H23 | 142.3° | 60.0° |
| H21 | C10 | C11 | H24 | 98.6° | 180.0° |
| H22 | C10 | C11 | H23 | 98.9° | 180.0° |
| H22 | C10 | C11 | H24 | 20.2° | 60.0° |
| H26 | C16 | C17 | H27 | 0.4° | 0.0° |
| H28 | C19 | H29 | H30 | 120.0° | 119.9° |
| H32 | C23 | C24 | H33 | 0.1° | 0.0° |
