57K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | O3 | sing | 1.45Å | 1.42Å | |
| O2 | C17 | doub | 1.22Å | 1.22Å | |
| C17 | O3 | sing | 1.35Å | 1.35Å | |
| C17 | N4 | sing | 1.35Å | 1.41Å | |
| N4 | C16 | sing | 1.47Å | 1.50Å | |
| N4 | C15 | sing | 1.48Å | 1.51Å | |
| C16 | C12 | sing | 1.53Å | 1.56Å | |
| C15 | C12 | sing | 1.54Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C14 | N3 | sing | 1.47Å | 1.47Å | |
| C10 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C9 | sing | 1.35Å | 1.39Å | |
| C9 | O1 | doub | 1.22Å | 1.23Å | |
| C9 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | C8 | sing | 1.46Å | 1.44Å | Aromatic |
| C7 | N1 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N2 | doub | 1.30Å | 1.35Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C18 | C19 | 111.4° | 109.5° |
| C21 | C18 | C20 | 110.0° | 109.5° |
| C21 | C18 | O3 | 111.7° | 109.5° |
| C18 | C21 | H27 | 109.5° | 109.5° |
| C18 | C21 | H26 | 109.4° | 109.4° |
| C18 | C21 | H28 | 109.5° | 109.4° |
| C19 | C18 | C20 | 110.5° | 109.5° |
| C19 | C18 | O3 | 110.9° | 109.4° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.5° | 109.5° |
| C20 | C18 | O3 | 102.0° | 109.5° |
| C18 | C20 | H24 | 109.5° | 109.4° |
| C18 | C20 | H23 | 109.5° | 109.5° |
| C18 | C20 | H25 | 109.5° | 109.4° |
| C18 | O3 | C17 | 120.5° | 117.0° |
| O2 | C17 | O3 | 124.4° | 120.0° |
| O2 | C17 | N4 | 124.4° | 120.0° |
| O3 | C17 | N4 | 111.0° | 120.0° |
| C17 | N4 | C16 | 117.9° | 134.4° |
| C17 | N4 | C15 | 121.4° | 134.5° |
| C16 | N4 | C15 | 92.9° | 91.1° |
| N4 | C16 | C12 | 89.2° | 86.1° |
| N4 | C16 | H18 | 114.3° | 113.7° |
| N4 | C16 | H19 | 114.3° | 113.9° |
| N4 | C15 | C12 | 89.1° | 86.0° |
| N4 | C15 | H17 | 114.3° | 113.8° |
| N4 | C15 | H16 | 114.3° | 113.9° |
| C16 | C12 | C15 | 88.7° | 86.6° |
| C16 | C12 | C13 | 114.5° | 113.5° |
| C16 | C12 | C11 | 112.1° | 113.6° |
| C12 | C16 | H18 | 114.3° | 113.9° |
| C12 | C16 | H19 | 114.3° | 113.8° |
| C15 | C12 | C13 | 114.5° | 113.6° |
| C15 | C12 | C11 | 114.4° | 113.7° |
| C12 | C15 | H17 | 114.3° | 113.8° |
| C12 | C15 | H16 | 114.3° | 113.8° |
| C13 | C12 | C11 | 111.0° | 113.2° |
| C12 | C13 | C14 | 110.8° | 109.2° |
| C12 | C13 | H13 | 109.2° | 109.7° |
| C12 | C13 | H12 | 109.1° | 109.4° |
| C12 | C11 | C10 | 111.1° | 109.1° |
| C12 | C11 | H11 | 109.0° | 109.5° |
| C12 | C11 | H10 | 109.0° | 109.6° |
| C13 | C14 | N3 | 110.9° | 109.0° |
| C14 | C13 | H13 | 109.1° | 109.5° |
| C14 | C13 | H12 | 109.2° | 109.5° |
| C13 | C14 | H14 | 109.1° | 109.6° |
| C13 | C14 | H15 | 109.1° | 109.6° |
| C11 | C10 | N3 | 110.9° | 108.8° |
| C11 | C10 | H9 | 109.1° | 109.6° |
| C11 | C10 | H8 | 109.1° | 109.7° |
| C10 | C11 | H11 | 109.1° | 109.5° |
| C10 | C11 | H10 | 109.1° | 109.5° |
| C14 | N3 | C10 | 114.5° | 119.1° |
| C14 | N3 | C9 | 122.2° | 120.5° |
| N3 | C14 | H14 | 109.1° | 109.7° |
| N3 | C14 | H15 | 109.1° | 109.3° |
| C10 | N3 | C9 | 123.2° | 120.5° |
| N3 | C10 | H9 | 109.1° | 109.6° |
| N3 | C10 | H8 | 109.1° | 109.6° |
| N3 | C9 | O1 | 121.1° | 120.0° |
| N3 | C9 | C4 | 118.3° | 120.0° |
| O1 | C9 | C4 | 120.7° | 120.0° |
| C9 | C4 | C3 | 119.9° | 119.9° |
| C9 | C4 | C5 | 117.5° | 119.9° |
| C3 | C4 | C5 | 122.5° | 120.2° |
| C4 | C3 | C2 | 121.1° | 120.7° |
| C4 | C3 | H5 | 119.5° | 119.7° |
| C4 | C5 | C6 | 117.4° | 119.4° |
| C4 | C5 | H6 | 121.3° | 120.3° |
| C3 | C2 | C1 | 124.3° | 119.9° |
| C3 | C2 | C7 | 116.8° | 120.2° |
| C2 | C3 | H5 | 119.5° | 119.7° |
| C5 | C6 | C7 | 120.0° | 119.8° |
| C5 | C6 | C8 | 134.6° | 133.9° |
| C6 | C5 | H6 | 121.3° | 120.3° |
| C1 | C2 | C7 | 118.9° | 119.9° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C7 | C6 | 122.2° | 119.7° |
| C2 | C7 | N1 | 131.4° | 133.6° |
| C7 | C6 | C8 | 105.3° | 106.3° |
| C6 | C7 | N1 | 106.3° | 106.7° |
| C6 | C8 | N2 | 109.9° | 107.7° |
| C6 | C8 | H7 | 125.0° | 126.2° |
| C7 | N1 | N2 | 111.2° | 109.2° |
| C7 | N1 | H1 | 124.4° | 125.4° |
| C8 | N2 | N1 | 107.2° | 110.1° |
| N2 | C8 | H7 | 125.0° | 126.1° |
| N2 | N1 | H1 | 124.4° | 125.4° |
| H13 | C13 | H12 | 109.5° | 109.5° |
| H24 | C20 | H23 | 109.4° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H23 | C20 | H25 | 109.5° | 109.5° |
| H27 | C21 | H26 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H26 | C21 | H28 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 112.9° |
| H21 | C19 | H22 | 109.4° | 109.5° |
| H21 | C19 | H20 | 109.5° | 109.4° |
| H22 | C19 | H20 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H4 | 109.4° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H9 | C10 | H8 | 109.5° | 109.6° |
| H11 | C11 | H10 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.7° |
| H17 | C15 | H16 | 109.5° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C18 | C19 | C20 | 122.6° | 120.0° |
| C21 | C18 | C19 | O3 | 125.1° | 120.0° |
| C21 | C18 | C20 | O3 | 118.7° | 120.0° |
| C21 | C18 | O3 | C17 | 61.8° | 59.9° |
| C21 | C18 | C20 | H24 | 180.0° | 60.0° |
| C21 | C18 | C20 | H23 | 60.0° | 180.0° |
| C21 | C18 | C20 | H25 | 60.0° | 60.0° |
| C18 | C21 | H27 | H26 | 120.0° | 120.0° |
| C18 | C21 | H27 | H28 | 120.0° | 120.0° |
| C18 | C21 | H26 | H28 | 120.0° | 119.9° |
| C21 | C18 | C19 | H21 | 180.0° | 60.0° |
| C21 | C18 | C19 | H22 | 60.0° | 179.9° |
| C21 | C18 | C19 | H20 | 60.0° | 60.0° |
| C19 | C18 | C20 | O3 | 117.9° | 119.9° |
| C19 | C18 | O3 | C17 | 63.1° | 60.1° |
| C19 | C18 | C20 | H24 | 56.6° | 180.0° |
| C19 | C18 | C20 | H23 | 176.6° | 60.0° |
| C19 | C18 | C20 | H25 | 63.4° | 60.0° |
| C19 | C18 | C21 | H27 | 180.0° | 60.0° |
| C19 | C18 | C21 | H26 | 60.0° | 180.0° |
| C19 | C18 | C21 | H28 | 60.0° | 60.0° |
| C18 | C19 | H21 | H22 | 120.0° | 120.1° |
| C18 | C19 | H21 | H20 | 120.0° | 120.0° |
| C18 | C19 | H22 | H20 | 120.0° | 120.0° |
| C20 | C18 | O3 | C17 | 179.3° | 180.0° |
| C18 | C20 | H24 | H23 | 120.0° | 120.0° |
| C18 | C20 | H24 | H25 | 120.0° | 119.9° |
| C18 | C20 | H23 | H25 | 120.0° | 120.0° |
| C20 | C18 | C21 | H27 | 57.1° | 180.0° |
| C20 | C18 | C21 | H26 | 177.1° | 60.0° |
| C20 | C18 | C21 | H28 | 62.9° | 60.0° |
| C20 | C18 | C19 | H21 | 57.4° | 60.0° |
| C20 | C18 | C19 | H22 | 62.6° | 60.0° |
| C20 | C18 | C19 | H20 | 177.4° | 180.0° |
| C18 | O3 | C17 | O2 | 4.1° | 0.0° |
| C18 | O3 | C17 | N4 | 171.4° | 179.9° |
| O3 | C18 | C20 | H24 | 61.3° | 60.1° |
| O3 | C18 | C20 | H23 | 58.6° | 60.0° |
| O3 | C18 | C20 | H25 | 178.7° | 179.9° |
| O3 | C18 | C21 | H27 | 55.4° | 60.0° |
| O3 | C18 | C21 | H26 | 64.6° | 60.0° |
| O3 | C18 | C21 | H28 | 175.4° | 180.0° |
| O3 | C18 | C19 | H21 | 55.0° | 180.0° |
| O3 | C18 | C19 | H22 | 174.9° | 59.9° |
| O3 | C18 | C19 | H20 | 65.0° | 60.0° |
| O2 | C17 | O3 | N4 | 175.5° | 180.0° |
| O2 | C17 | N4 | C16 | 33.9° | 0.1° |
| O2 | C17 | N4 | C15 | 146.9° | 179.9° |
| O3 | C17 | N4 | C16 | 150.6° | 179.9° |
| O3 | C17 | N4 | C15 | 37.6° | 0.1° |
| C17 | N4 | C16 | C15 | 128.1° | 180.0° |
| C17 | N4 | C16 | C12 | 129.3° | 155.7° |
| C17 | N4 | C15 | C12 | 126.6° | 155.7° |
| C17 | N4 | C16 | H18 | 12.9° | 41.3° |
| C17 | N4 | C16 | H19 | 114.3° | 90.0° |
| C17 | N4 | C15 | H17 | 117.0° | 90.1° |
| C17 | N4 | C15 | H16 | 10.2° | 41.4° |
| N4 | C16 | C12 | H18 | 116.4° | 114.2° |
| N4 | C16 | C12 | H19 | 116.4° | 114.5° |
| C16 | N4 | C15 | C12 | 1.2° | 24.3° |
| N4 | C16 | C12 | C13 | 115.3° | 90.9° |
| N4 | C16 | C12 | C11 | 117.1° | 137.8° |
| N4 | C16 | H18 | H19 | 129.6° | 131.8° |
| C16 | N4 | C15 | H17 | 117.6° | 89.9° |
| C16 | N4 | C15 | H16 | 115.2° | 138.6° |
| N4 | C15 | C12 | H17 | 116.4° | 114.3° |
| N4 | C15 | C12 | H16 | 116.4° | 114.4° |
| N4 | C15 | C12 | C13 | 115.3° | 90.9° |
| N4 | C15 | C12 | C11 | 115.0° | 137.7° |
| C15 | N4 | C16 | H18 | 115.2° | 138.7° |
| C15 | N4 | C16 | H19 | 117.6° | 90.0° |
| N4 | C15 | H17 | H16 | 129.6° | 132.0° |
| C16 | C12 | C15 | C13 | 116.5° | 114.3° |
| C16 | C12 | C15 | C11 | 113.8° | 114.3° |
| C16 | C12 | C13 | C11 | 128.2° | 131.4° |
| C16 | C12 | C13 | C14 | 176.7° | 74.0° |
| C16 | C12 | C11 | C10 | 175.4° | 73.8° |
| C16 | C12 | C13 | H13 | 63.1° | 46.0° |
| C16 | C12 | C13 | H12 | 56.5° | 166.2° |
| C12 | C16 | H18 | H19 | 129.6° | 131.7° |
| C16 | C12 | C11 | H11 | 55.2° | 46.1° |
| C16 | C12 | C11 | H10 | 64.4° | 166.2° |
| C16 | C12 | C15 | H17 | 117.5° | 91.0° |
| C16 | C12 | C15 | H16 | 115.2° | 137.8° |
| C15 | C12 | C13 | C11 | 131.3° | 131.7° |
| C15 | C12 | C13 | C14 | 76.2° | 170.9° |
| C15 | C12 | C11 | C10 | 76.3° | 170.8° |
| C15 | C12 | C13 | H13 | 163.6° | 50.9° |
| C15 | C12 | C13 | H12 | 44.0° | 69.3° |
| C15 | C12 | C16 | H18 | 115.2° | 137.6° |
| C15 | C12 | C16 | H19 | 117.6° | 91.1° |
| C15 | C12 | C11 | H11 | 44.0° | 50.9° |
| C15 | C12 | C11 | H10 | 163.5° | 69.2° |
| C12 | C15 | H17 | H16 | 129.7° | 131.7° |
| C12 | C13 | C14 | H13 | 120.2° | 120.2° |
| C12 | C13 | C14 | H12 | 120.2° | 119.8° |
| C13 | C12 | C11 | C10 | 55.1° | 57.6° |
| C12 | C13 | C14 | N3 | 54.0° | 52.2° |
| C12 | C13 | H13 | H12 | 119.4° | 120.1° |
| C13 | C12 | C16 | H18 | 128.3° | 23.3° |
| C13 | C12 | C16 | H19 | 1.1° | 154.6° |
| C13 | C12 | C11 | H11 | 175.4° | 177.5° |
| C13 | C12 | C11 | H10 | 65.1° | 62.3° |
| C12 | C13 | C14 | H14 | 174.2° | 172.2° |
| C12 | C13 | C14 | H15 | 66.3° | 67.4° |
| C13 | C12 | C15 | H17 | 1.0° | 154.8° |
| C13 | C12 | C15 | H16 | 128.3° | 23.5° |
| C11 | C12 | C13 | C14 | 55.1° | 57.4° |
| C12 | C11 | C10 | H11 | 120.2° | 119.9° |
| C12 | C11 | C10 | H10 | 120.2° | 120.0° |
| C12 | C11 | C10 | N3 | 53.9° | 52.4° |
| C11 | C12 | C13 | H13 | 65.1° | 177.4° |
| C11 | C12 | C13 | H12 | 175.3° | 62.4° |
| C11 | C12 | C16 | H18 | 0.7° | 107.9° |
| C11 | C12 | C16 | H19 | 126.5° | 23.4° |
| C12 | C11 | C10 | H9 | 66.3° | 67.4° |
| C12 | C11 | C10 | H8 | 174.1° | 172.3° |
| C12 | C11 | H11 | H10 | 119.2° | 120.2° |
| C11 | C12 | C15 | H17 | 128.6° | 23.4° |
| C11 | C12 | C15 | H16 | 1.4° | 107.9° |
| C13 | C14 | N3 | H14 | 120.2° | 120.0° |
| C13 | C14 | N3 | H15 | 120.2° | 119.7° |
| C13 | C14 | N3 | C10 | 54.8° | 55.3° |
| C13 | C14 | N3 | C9 | 129.0° | 124.5° |
| C14 | C13 | H13 | H12 | 119.4° | 120.1° |
| C13 | C14 | H14 | H15 | 119.3° | 120.4° |
| C11 | C10 | N3 | C14 | 54.6° | 55.3° |
| C11 | C10 | N3 | H9 | 120.2° | 119.8° |
| C11 | C10 | N3 | H8 | 120.2° | 119.9° |
| C11 | C10 | N3 | C9 | 129.2° | 124.4° |
| C11 | C10 | H9 | H8 | 119.4° | 120.4° |
| C10 | C11 | H11 | H10 | 119.3° | 120.2° |
| C14 | N3 | C10 | C9 | 176.2° | 179.8° |
| C14 | N3 | C9 | O1 | 3.9° | 173.9° |
| C14 | N3 | C9 | C4 | 176.8° | 6.1° |
| N3 | C14 | C13 | H13 | 66.3° | 172.3° |
| N3 | C14 | C13 | H12 | 174.2° | 67.6° |
| C14 | N3 | C10 | H9 | 65.6° | 64.5° |
| C14 | N3 | C10 | H8 | 174.9° | 175.2° |
| N3 | C14 | H14 | H15 | 119.3° | 120.1° |
| C10 | N3 | C9 | O1 | 179.9° | 5.9° |
| C10 | N3 | C9 | C4 | 0.9° | 174.1° |
| N3 | C10 | H9 | H8 | 119.3° | 120.3° |
| N3 | C10 | C11 | H11 | 174.1° | 172.3° |
| N3 | C10 | C11 | H10 | 66.3° | 67.5° |
| C10 | N3 | C14 | H14 | 175.0° | 175.2° |
| C10 | N3 | C14 | H15 | 65.4° | 64.5° |
| N3 | C9 | O1 | C4 | 179.2° | 180.0° |
| N3 | C9 | C4 | C3 | 67.0° | 137.6° |
| N3 | C9 | C4 | C5 | 117.3° | 42.7° |
| C9 | N3 | C10 | H9 | 110.6° | 115.8° |
| C9 | N3 | C10 | H8 | 8.9° | 4.5° |
| C9 | N3 | C14 | H14 | 8.7° | 4.5° |
| C9 | N3 | C14 | H15 | 110.8° | 115.8° |
| O1 | C9 | C4 | C3 | 113.8° | 42.4° |
| O1 | C9 | C4 | C5 | 62.0° | 137.3° |
| C9 | C4 | C3 | C5 | 175.5° | 179.7° |
| C9 | C4 | C3 | C2 | 176.9° | 179.7° |
| C9 | C4 | C5 | C6 | 176.5° | 179.7° |
| C9 | C4 | C3 | H5 | 3.1° | 0.3° |
| C9 | C4 | C5 | H6 | 3.5° | 0.2° |
| C4 | C3 | C2 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C4 | C3 | C2 | C1 | 179.4° | 179.9° |
| C4 | C3 | C2 | C7 | 1.1° | 0.0° |
| C3 | C4 | C5 | H6 | 179.2° | 179.9° |
| C5 | C4 | C3 | C2 | 1.4° | 0.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C4 | C5 | C6 | C8 | 176.8° | 180.0° |
| C5 | C4 | C3 | H5 | 178.6° | 180.0° |
| C3 | C2 | C1 | C7 | 179.5° | 180.0° |
| C3 | C2 | C7 | C6 | 0.3° | 0.0° |
| C3 | C2 | C7 | N1 | 176.8° | 180.0° |
| C3 | C2 | C1 | H2 | 90.2° | 90.0° |
| C3 | C2 | C1 | H3 | 149.7° | 30.0° |
| C3 | C2 | C1 | H4 | 29.7° | 150.0° |
| C5 | C6 | C7 | C2 | 0.3° | 0.0° |
| C5 | C6 | C7 | C8 | 177.6° | 180.0° |
| C5 | C6 | C7 | N1 | 178.0° | 180.0° |
| C5 | C6 | C8 | N2 | 177.2° | 180.0° |
| C5 | C6 | C8 | H7 | 2.8° | 0.0° |
| C1 | C2 | C7 | C6 | 179.8° | 180.0° |
| C1 | C2 | C7 | N1 | 2.8° | 0.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 0.6° | 0.0° |
| C2 | C7 | C6 | N1 | 177.7° | 180.0° |
| C2 | C7 | C6 | C8 | 177.4° | 180.0° |
| C2 | C7 | N1 | N2 | 176.9° | 180.0° |
| C7 | C2 | C1 | H2 | 90.2° | 90.0° |
| C7 | C2 | C1 | H3 | 29.8° | 150.0° |
| C7 | C2 | C1 | H4 | 149.8° | 30.0° |
| C7 | C2 | C3 | H5 | 178.9° | 180.0° |
| C2 | C7 | N1 | H1 | 3.1° | 0.0° |
| C7 | C6 | C8 | N2 | 0.0° | 0.0° |
| C6 | C7 | N1 | N2 | 0.5° | 0.0° |
| C7 | C6 | C8 | H7 | 179.9° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C7 | N1 | H1 | 179.5° | 180.0° |
| C8 | C6 | C7 | N1 | 0.3° | 0.0° |
| C6 | C8 | N2 | H7 | 180.0° | 180.0° |
| C6 | C8 | N2 | N1 | 0.3° | 0.0° |
| C8 | C6 | C5 | H6 | 3.2° | 0.0° |
| C7 | N1 | N2 | C8 | 0.5° | 0.0° |
| C7 | N1 | N2 | H1 | 180.0° | 180.0° |
| C8 | N2 | N1 | H1 | 179.5° | 180.0° |
| N1 | N2 | C8 | H7 | 179.7° | 180.0° |
| H13 | C13 | C14 | H14 | 53.9° | 67.6° |
| H13 | C13 | C14 | H15 | 173.5° | 52.8° |
| H12 | C13 | C14 | H14 | 65.6° | 52.5° |
| H12 | C13 | C14 | H15 | 53.9° | 172.9° |
| H24 | C20 | H23 | H25 | 120.0° | 120.1° |
| H27 | C21 | H26 | H28 | 120.0° | 120.1° |
| H21 | C19 | H22 | H20 | 120.0° | 119.9° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H9 | C10 | C11 | H11 | 53.9° | 52.5° |
| H9 | C10 | C11 | H10 | 173.5° | 172.7° |
| H8 | C10 | C11 | H11 | 65.7° | 67.8° |
| H8 | C10 | C11 | H10 | 53.9° | 52.3° |
