A1ES2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.46Å | 1.43Å | Aromatic |
| C9 | C10 | doub | 1.34Å | 1.36Å | Aromatic |
| C10 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | N3 | sing | 1.46Å | 1.49Å | |
| N3 | C15 | sing | 1.34Å | 1.38Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C17 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | O3 | doub | 1.21Å | 1.22Å | |
| C15 | O4 | doub | 1.21Å | 1.22Å | |
| C3 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | C23 | sing | 1.34Å | 1.37Å | |
| C17 | C21 | sing | 1.54Å | 1.55Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | 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 | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H13 | sing | 1.01Å | 1.00Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 107.0° | 109.4° |
| O1 | C1 | C11 | 111.5° | 109.5° |
| O1 | C1 | H2 | 109.6° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C2 | O2 | 106.2° | 109.4° |
| C2 | C1 | C11 | 112.1° | 109.4° |
| C2 | C1 | H2 | 108.3° | 109.5° |
| C1 | C2 | H3 | 110.3° | 109.4° |
| C1 | C2 | H4 | 110.3° | 109.5° |
| C2 | O2 | C3 | 117.7° | 117.0° |
| O2 | C2 | H3 | 110.3° | 109.5° |
| O2 | C2 | H4 | 110.3° | 109.5° |
| O2 | C3 | C4 | 125.0° | 120.2° |
| O2 | C3 | C8 | 115.3° | 120.2° |
| C3 | C4 | C5 | 119.8° | 120.3° |
| C4 | C3 | C8 | 119.7° | 119.6° |
| C3 | C4 | H5 | 120.1° | 119.8° |
| C4 | C5 | C6 | 122.2° | 120.7° |
| C5 | C4 | H5 | 120.1° | 119.9° |
| C4 | C5 | H6 | 118.9° | 119.6° |
| C5 | C6 | C7 | 117.6° | 120.0° |
| C6 | C5 | H6 | 118.9° | 119.7° |
| C5 | C6 | H7 | 121.2° | 120.0° |
| C6 | C7 | C8 | 121.5° | 119.5° |
| C6 | C7 | N1 | 131.0° | 133.3° |
| C7 | C6 | H7 | 121.2° | 120.0° |
| C7 | C8 | C9 | 106.8° | 106.1° |
| C7 | C8 | C3 | 119.1° | 119.9° |
| C8 | C7 | N1 | 107.4° | 107.2° |
| C8 | C9 | C10 | 107.0° | 107.0° |
| C9 | C8 | C3 | 134.1° | 134.0° |
| C8 | C9 | H8 | 126.5° | 126.5° |
| C9 | C10 | N1 | 109.7° | 109.9° |
| C9 | C10 | H9 | 125.1° | 125.1° |
| C10 | C9 | H8 | 126.5° | 126.5° |
| C10 | N1 | C7 | 109.1° | 109.8° |
| N1 | C10 | H9 | 125.1° | 125.0° |
| C10 | N1 | H10 | 125.5° | 125.1° |
| C1 | C11 | N2 | 114.3° | 109.5° |
| C11 | C1 | H2 | 108.2° | 109.5° |
| C1 | C11 | H11 | 108.2° | 109.5° |
| C1 | C11 | H12 | 108.2° | 109.5° |
| C11 | N2 | C12 | 112.3° | 111.0° |
| N2 | C11 | H11 | 108.3° | 109.4° |
| N2 | C11 | H12 | 108.3° | 109.5° |
| C11 | N2 | H13 | 108.7° | 111.0° |
| N2 | C12 | C13 | 114.5° | 109.5° |
| N2 | C12 | H14 | 108.2° | 109.5° |
| N2 | C12 | H15 | 108.2° | 109.5° |
| C12 | N2 | H13 | 108.7° | 111.0° |
| C12 | C13 | C14 | 113.0° | 109.5° |
| C13 | C12 | H14 | 108.2° | 109.5° |
| C13 | C12 | H15 | 108.2° | 109.5° |
| C12 | C13 | H16 | 108.6° | 109.5° |
| C12 | C13 | H17 | 108.5° | 109.4° |
| C13 | C14 | N3 | 111.9° | 109.5° |
| C14 | C13 | H16 | 108.6° | 109.5° |
| C14 | C13 | H17 | 108.6° | 109.4° |
| C13 | C14 | H18 | 108.8° | 109.5° |
| C13 | C14 | H19 | 108.8° | 109.5° |
| C14 | N3 | C15 | 118.9° | 118.6° |
| C14 | N3 | C23 | 118.4° | 118.6° |
| N3 | C14 | H18 | 108.9° | 109.5° |
| N3 | C14 | H19 | 108.9° | 109.5° |
| N3 | C15 | C16 | 115.4° | 121.2° |
| N3 | C15 | O4 | 121.2° | 119.4° |
| C15 | N3 | C23 | 122.6° | 122.8° |
| C15 | C16 | C17 | 113.2° | 109.2° |
| C16 | C15 | O4 | 123.3° | 119.4° |
| C15 | C16 | H20 | 108.5° | 109.5° |
| C15 | C16 | H21 | 108.5° | 109.5° |
| C16 | C17 | C18 | 111.2° | 110.1° |
| C16 | C17 | C22 | 111.4° | 109.7° |
| C16 | C17 | C21 | 110.6° | 109.9° |
| C17 | C16 | H20 | 108.5° | 109.6° |
| C17 | C16 | H21 | 108.5° | 109.5° |
| C17 | C18 | C19 | 104.8° | 106.5° |
| C18 | C17 | C22 | 111.1° | 110.2° |
| C18 | C17 | C21 | 101.4° | 106.9° |
| C17 | C18 | H22 | 110.6° | 110.1° |
| C17 | C18 | H23 | 110.6° | 110.0° |
| C18 | C19 | C20 | 107.1° | 104.2° |
| C19 | C18 | H22 | 110.6° | 110.0° |
| C19 | C18 | H23 | 110.6° | 110.1° |
| C18 | C19 | H24 | 110.1° | 110.5° |
| C18 | C19 | H25 | 110.1° | 110.5° |
| C19 | C20 | C21 | 105.8° | 102.8° |
| C20 | C19 | H24 | 110.1° | 110.5° |
| C20 | C19 | H25 | 110.0° | 110.5° |
| C19 | C20 | H26 | 110.4° | 110.8° |
| C19 | C20 | H27 | 110.4° | 110.7° |
| C20 | C21 | C17 | 103.3° | 104.1° |
| C21 | C20 | H26 | 110.4° | 110.7° |
| C21 | C20 | H27 | 110.4° | 110.8° |
| C20 | C21 | H28 | 111.0° | 110.5° |
| C20 | C21 | H29 | 111.0° | 110.5° |
| C17 | C22 | C23 | 113.3° | 109.2° |
| C22 | C17 | C21 | 110.8° | 109.9° |
| C17 | C22 | H30 | 108.5° | 109.5° |
| C17 | C22 | H31 | 108.5° | 109.5° |
| C22 | C23 | O3 | 123.4° | 119.4° |
| C22 | C23 | N3 | 115.5° | 121.3° |
| C23 | C22 | H30 | 108.5° | 109.5° |
| C23 | C22 | H31 | 108.5° | 109.5° |
| O3 | C23 | N3 | 121.1° | 119.3° |
| C7 | N1 | H10 | 125.4° | 125.1° |
| C17 | C21 | H28 | 111.0° | 110.5° |
| C17 | C21 | H29 | 111.0° | 110.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 110.1° |
| H24 | C19 | H25 | 109.5° | 110.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 110.8° |
| H28 | C21 | H29 | 109.5° | 110.5° |
| H30 | C22 | H31 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C11 | 122.6° | 120.0° |
| O1 | C1 | C2 | H2 | 118.1° | 120.0° |
| O1 | C1 | C2 | O2 | 163.6° | 65.0° |
| O1 | C1 | C11 | H2 | 120.7° | 120.0° |
| O1 | C1 | C11 | N2 | 14.0° | 60.0° |
| O1 | C1 | C11 | H11 | 106.7° | 60.0° |
| O1 | C1 | C11 | H12 | 134.7° | 180.0° |
| O1 | C1 | C2 | H3 | 44.1° | 175.0° |
| O1 | C1 | C2 | H4 | 76.9° | 55.0° |
| C1 | C2 | O2 | H3 | 119.5° | 119.9° |
| C1 | C2 | O2 | H4 | 119.5° | 120.0° |
| C1 | C2 | O2 | C3 | 164.6° | 179.9° |
| C2 | C1 | C11 | H2 | 119.4° | 120.0° |
| C2 | C1 | C11 | N2 | 133.9° | 179.9° |
| C2 | C1 | C11 | H11 | 13.2° | 60.0° |
| C2 | C1 | C11 | H12 | 105.3° | 60.1° |
| C1 | C2 | H3 | H4 | 121.5° | 120.0° |
| C2 | C1 | O1 | H1 | 180.0° | 60.0° |
| C2 | O2 | C3 | C4 | 0.1° | 0.1° |
| O2 | C2 | C1 | C11 | 41.0° | 175.0° |
| C2 | O2 | C3 | C8 | 179.9° | 180.0° |
| O2 | C2 | C1 | H2 | 78.3° | 55.0° |
| O2 | C2 | H3 | H4 | 121.5° | 120.0° |
| O2 | C3 | C4 | C8 | 179.8° | 179.9° |
| O2 | C3 | C4 | C5 | 179.7° | 180.0° |
| O2 | C3 | C8 | C7 | 179.6° | 180.0° |
| O2 | C3 | C8 | C9 | 0.6° | 0.1° |
| C3 | O2 | C2 | H3 | 75.9° | 60.0° |
| C3 | O2 | C2 | H4 | 45.1° | 60.0° |
| O2 | C3 | C4 | H5 | 0.2° | 0.2° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C3 | C8 | C7 | 0.2° | 0.1° |
| C4 | C3 | C8 | C9 | 179.6° | 180.0° |
| C3 | C4 | C5 | H6 | 179.7° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.1° |
| C5 | C4 | C3 | C8 | 0.1° | 0.1° |
| C4 | C5 | C6 | H7 | 179.5° | 180.0° |
| C5 | C6 | C7 | H7 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C5 | C6 | C7 | N1 | 179.4° | 179.6° |
| C6 | C5 | C4 | H5 | 179.7° | 179.9° |
| C6 | C7 | C8 | N1 | 179.8° | 179.6° |
| C6 | C7 | C8 | C9 | 179.9° | 179.9° |
| C6 | C7 | N1 | C10 | 179.8° | 179.8° |
| C6 | C7 | C8 | C3 | 0.0° | 0.1° |
| C7 | C6 | C5 | H6 | 179.5° | 179.9° |
| C6 | C7 | N1 | H10 | 0.2° | 0.0° |
| C7 | C8 | C9 | C3 | 179.8° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.3° |
| C8 | C7 | N1 | C10 | 0.4° | 0.3° |
| C8 | C7 | C6 | H7 | 179.7° | 180.0° |
| C7 | C8 | C9 | H8 | 179.7° | 179.7° |
| C8 | C7 | N1 | H10 | 179.6° | 179.6° |
| C8 | C9 | C10 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | N1 | 0.6° | 0.1° |
| C9 | C8 | C7 | N1 | 0.1° | 0.3° |
| C8 | C9 | C10 | H9 | 179.4° | 179.7° |
| C9 | C10 | N1 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C3 | 179.8° | 179.8° |
| C9 | C10 | N1 | C7 | 0.6° | 0.1° |
| C9 | C10 | N1 | H10 | 179.3° | 179.7° |
| C10 | N1 | C7 | H10 | 180.0° | 179.8° |
| N1 | C10 | C9 | H8 | 179.4° | 179.9° |
| C1 | C11 | N2 | H11 | 120.7° | 120.0° |
| C1 | C11 | N2 | H12 | 120.7° | 120.0° |
| C1 | C11 | N2 | C12 | 159.4° | 180.0° |
| C1 | C11 | H11 | H12 | 117.7° | 120.0° |
| C11 | C1 | C2 | H3 | 78.4° | 55.0° |
| C11 | C1 | C2 | H4 | 160.6° | 65.0° |
| C1 | C11 | N2 | H13 | 80.1° | 56.0° |
| C11 | C1 | O1 | H1 | 57.1° | 60.0° |
| C11 | N2 | C12 | H13 | 120.4° | 123.9° |
| C11 | N2 | C12 | C13 | 166.2° | 179.9° |
| N2 | C11 | C1 | H2 | 106.7° | 60.0° |
| N2 | C11 | H11 | H12 | 117.8° | 120.0° |
| C11 | N2 | C12 | H14 | 73.1° | 60.0° |
| C11 | N2 | C12 | H15 | 45.5° | 60.0° |
| N2 | C12 | C13 | H14 | 120.7° | 120.0° |
| N2 | C12 | C13 | H15 | 120.7° | 120.0° |
| N2 | C12 | C13 | C14 | 150.9° | 180.0° |
| C12 | N2 | C11 | H11 | 38.7° | 60.0° |
| C12 | N2 | C11 | H12 | 79.8° | 60.0° |
| N2 | C12 | H14 | H15 | 117.7° | 120.0° |
| N2 | C12 | C13 | H16 | 30.3° | 60.0° |
| N2 | C12 | C13 | H17 | 88.6° | 60.0° |
| C12 | C13 | C14 | H16 | 120.6° | 120.0° |
| C12 | C13 | C14 | H17 | 120.5° | 119.9° |
| C12 | C13 | C14 | N3 | 74.0° | 180.0° |
| C13 | C12 | H14 | H15 | 117.7° | 120.0° |
| C12 | C13 | H16 | H17 | 118.3° | 120.0° |
| C12 | C13 | C14 | H18 | 165.6° | 60.0° |
| C12 | C13 | C14 | H19 | 46.4° | 60.0° |
| C13 | C12 | N2 | H13 | 45.8° | 56.0° |
| C13 | C14 | N3 | H18 | 120.3° | 120.0° |
| C13 | C14 | N3 | H19 | 120.4° | 120.0° |
| C13 | C14 | N3 | C15 | 97.2° | 90.0° |
| C13 | C14 | N3 | C23 | 80.0° | 89.5° |
| C14 | C13 | C12 | H14 | 88.4° | 60.0° |
| C14 | C13 | C12 | H15 | 30.1° | 59.9° |
| C14 | C13 | H16 | H17 | 118.4° | 120.0° |
| C13 | C14 | H18 | H19 | 118.8° | 120.0° |
| C14 | N3 | C15 | C23 | 177.1° | 179.4° |
| C14 | N3 | C15 | C16 | 137.9° | 179.2° |
| C14 | N3 | C23 | C22 | 138.1° | 179.1° |
| C14 | N3 | C23 | O3 | 42.6° | 0.6° |
| C14 | N3 | C15 | O4 | 41.8° | 0.6° |
| N3 | C14 | C13 | H16 | 46.5° | 60.0° |
| N3 | C14 | C13 | H17 | 165.5° | 60.0° |
| N3 | C14 | H18 | H19 | 118.9° | 120.0° |
| N3 | C15 | C16 | O4 | 179.7° | 179.8° |
| N3 | C15 | C16 | C17 | 41.2° | 28.6° |
| C15 | N3 | C23 | C22 | 39.0° | 1.4° |
| C15 | N3 | C23 | O3 | 140.3° | 178.9° |
| C15 | N3 | C14 | H18 | 142.5° | 30.0° |
| C15 | N3 | C14 | H19 | 23.2° | 150.0° |
| N3 | C15 | C16 | H20 | 161.8° | 148.6° |
| N3 | C15 | C16 | H21 | 79.4° | 91.3° |
| C15 | C16 | C17 | H20 | 120.5° | 120.0° |
| C15 | C16 | C17 | H21 | 120.6° | 119.9° |
| C15 | C16 | C17 | C18 | 79.7° | 66.9° |
| C15 | C16 | C17 | C22 | 44.9° | 54.5° |
| C16 | C15 | N3 | C23 | 39.2° | 1.4° |
| C15 | C16 | C17 | C21 | 168.5° | 175.5° |
| C15 | C16 | H20 | H21 | 118.3° | 120.1° |
| C16 | C17 | C18 | C22 | 124.7° | 121.1° |
| C16 | C17 | C18 | C21 | 117.5° | 119.4° |
| C16 | C17 | C18 | C19 | 82.4° | 119.4° |
| C16 | C17 | C21 | C20 | 76.0° | 143.0° |
| C16 | C17 | C22 | C21 | 123.6° | 121.0° |
| C16 | C17 | C22 | C23 | 44.7° | 54.5° |
| C17 | C16 | C15 | O4 | 139.1° | 151.6° |
| C17 | C16 | H20 | H21 | 118.3° | 120.1° |
| C16 | C17 | C18 | H22 | 158.4° | 121.4° |
| C16 | C17 | C18 | H23 | 36.9° | 0.1° |
| C16 | C17 | C21 | H28 | 165.1° | 24.3° |
| C16 | C17 | C21 | H29 | 43.0° | 98.4° |
| C16 | C17 | C22 | H30 | 165.2° | 174.4° |
| C16 | C17 | C22 | H31 | 75.9° | 65.4° |
| C17 | C18 | C19 | H22 | 119.3° | 119.3° |
| C17 | C18 | C19 | H23 | 119.3° | 119.3° |
| C17 | C18 | C19 | C20 | 15.4° | 23.5° |
| C18 | C17 | C21 | C20 | 42.0° | 23.4° |
| C18 | C17 | C22 | C21 | 111.9° | 117.6° |
| C18 | C17 | C22 | C23 | 79.9° | 66.9° |
| C18 | C17 | C16 | H20 | 40.9° | 53.0° |
| C18 | C17 | C16 | H21 | 159.8° | 173.2° |
| C17 | C18 | H22 | H23 | 122.2° | 121.5° |
| C17 | C18 | C19 | H24 | 135.0° | 142.3° |
| C17 | C18 | C19 | H25 | 104.2° | 95.2° |
| C18 | C17 | C21 | H28 | 77.0° | 95.3° |
| C18 | C17 | C21 | H29 | 161.0° | 142.1° |
| C18 | C17 | C22 | H30 | 40.6° | 53.0° |
| C18 | C17 | C22 | H31 | 159.5° | 173.2° |
| C18 | C19 | C20 | H24 | 119.6° | 118.7° |
| C18 | C19 | C20 | H25 | 119.6° | 118.7° |
| C18 | C19 | C20 | C21 | 11.1° | 37.7° |
| C19 | C18 | C17 | C22 | 152.9° | 119.5° |
| C19 | C18 | C17 | C21 | 35.1° | 0.1° |
| C19 | C18 | H22 | H23 | 122.1° | 121.5° |
| C18 | C19 | H24 | H25 | 121.1° | 122.6° |
| C18 | C19 | C20 | H26 | 130.5° | 80.6° |
| C18 | C19 | C20 | H27 | 108.3° | 156.0° |
| C19 | C20 | C21 | H26 | 119.4° | 118.3° |
| C19 | C20 | C21 | H27 | 119.4° | 118.3° |
| C19 | C20 | C21 | C17 | 33.3° | 37.6° |
| C20 | C19 | C18 | H22 | 103.9° | 95.7° |
| C20 | C19 | C18 | H23 | 134.7° | 142.8° |
| C20 | C19 | H24 | H25 | 121.1° | 122.6° |
| C19 | C20 | H26 | H27 | 121.7° | 123.3° |
| C19 | C20 | C21 | H28 | 85.7° | 81.1° |
| C19 | C20 | C21 | H29 | 152.3° | 156.3° |
| C20 | C21 | C17 | C22 | 160.0° | 96.2° |
| C20 | C21 | C17 | H28 | 119.0° | 118.7° |
| C20 | C21 | C17 | H29 | 119.0° | 118.7° |
| C21 | C20 | C19 | H24 | 108.5° | 156.4° |
| C21 | C20 | C19 | H25 | 130.7° | 81.0° |
| C21 | C20 | H26 | H27 | 121.7° | 123.3° |
| C20 | C21 | H28 | H29 | 122.8° | 122.7° |
| C17 | C22 | C23 | H30 | 120.6° | 119.9° |
| C17 | C22 | C23 | H31 | 120.6° | 119.9° |
| C17 | C22 | C23 | O3 | 138.4° | 151.6° |
| C17 | C22 | C23 | N3 | 40.8° | 28.7° |
| C22 | C17 | C16 | H20 | 165.4° | 174.5° |
| C22 | C17 | C16 | H21 | 75.7° | 65.4° |
| C22 | C17 | C18 | H22 | 33.6° | 0.3° |
| C22 | C17 | C18 | H23 | 87.8° | 121.2° |
| C22 | C17 | C21 | H28 | 41.0° | 145.1° |
| C22 | C17 | C21 | H29 | 81.0° | 22.4° |
| C17 | C22 | H30 | H31 | 118.3° | 120.1° |
| C22 | C23 | O3 | N3 | 179.2° | 179.7° |
| C23 | C22 | C17 | C21 | 168.2° | 175.5° |
| C23 | C22 | H30 | H31 | 118.2° | 120.2° |
| O3 | C23 | C22 | H30 | 17.9° | 31.7° |
| O3 | C23 | C22 | H31 | 101.0° | 88.5° |
| O4 | C15 | N3 | C23 | 141.1° | 178.9° |
| O4 | C15 | C16 | H20 | 18.5° | 31.6° |
| O4 | C15 | C16 | H21 | 100.4° | 88.5° |
| C3 | C8 | C7 | N1 | 179.8° | 179.7° |
| C8 | C3 | C4 | H5 | 179.9° | 179.9° |
| C3 | C8 | C9 | H8 | 0.1° | 0.2° |
| C7 | N1 | C10 | H9 | 179.4° | 180.0° |
| N1 | C7 | C6 | H7 | 0.6° | 0.5° |
| C23 | N3 | C14 | H18 | 40.3° | 150.5° |
| C23 | N3 | C14 | H19 | 159.6° | 30.5° |
| N3 | C23 | C22 | H30 | 161.4° | 148.6° |
| N3 | C23 | C22 | H31 | 79.8° | 91.2° |
| C21 | C17 | C16 | H20 | 70.9° | 64.6° |
| C21 | C17 | C16 | H21 | 48.0° | 55.6° |
| C21 | C17 | C18 | H22 | 84.1° | 119.2° |
| C21 | C17 | C18 | H23 | 154.4° | 119.4° |
| C17 | C21 | C20 | H26 | 152.7° | 80.7° |
| C17 | C21 | C20 | H27 | 86.1° | 155.9° |
| C17 | C21 | H28 | H29 | 122.9° | 122.6° |
| C21 | C17 | C22 | H30 | 71.2° | 64.6° |
| C21 | C17 | C22 | H31 | 47.7° | 55.6° |
| H2 | C1 | C11 | H11 | 132.6° | 180.0° |
| H2 | C1 | C11 | H12 | 14.1° | 59.9° |
| H2 | C1 | C2 | H3 | 162.3° | 65.0° |
| H2 | C1 | C2 | H4 | 41.2° | 175.0° |
| H2 | C1 | O1 | H1 | 62.7° | 180.0° |
| H9 | C10 | C9 | H8 | 0.6° | 0.3° |
| H9 | C10 | N1 | H10 | 0.6° | 0.1° |
| H11 | C11 | N2 | H13 | 159.2° | 176.1° |
| H12 | C11 | N2 | H13 | 40.6° | 64.0° |
| H14 | C12 | C13 | H16 | 151.0° | 60.0° |
| H14 | C12 | C13 | H17 | 32.1° | 180.0° |
| H14 | C12 | N2 | H13 | 166.5° | 64.0° |
| H15 | C12 | C13 | H16 | 90.4° | 180.0° |
| H15 | C12 | C13 | H17 | 150.6° | 60.0° |
| H15 | C12 | N2 | H13 | 75.0° | 176.0° |
| H16 | C13 | C14 | H18 | 73.8° | 180.0° |
| H16 | C13 | C14 | H19 | 166.9° | 60.0° |
| H17 | C13 | C14 | H18 | 45.1° | 60.0° |
| H17 | C13 | C14 | H19 | 74.1° | 180.0° |
| H22 | C18 | C19 | H24 | 15.7° | 23.0° |
| H22 | C18 | C19 | H25 | 136.5° | 145.6° |
| H23 | C18 | C19 | H24 | 105.7° | 98.5° |
| H23 | C18 | C19 | H25 | 15.1° | 24.1° |
| H24 | C19 | C20 | H26 | 10.9° | 38.1° |
| H24 | C19 | C20 | H27 | 132.1° | 85.2° |
| H25 | C19 | C20 | H26 | 109.8° | 160.7° |
| H25 | C19 | C20 | H27 | 11.3° | 37.3° |
| H26 | C20 | C21 | H28 | 33.7° | 160.6° |
| H26 | C20 | C21 | H29 | 88.3° | 37.9° |
| H27 | C20 | C21 | H28 | 154.9° | 37.2° |
| H27 | C20 | C21 | H29 | 32.9° | 85.4° |
| H5 | C4 | C5 | H6 | 0.3° | 0.1° |
| H6 | C5 | C6 | H7 | 0.5° | 0.0° |
